REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:10-Jun-2010 13:37:35 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 2.267 1.029 -1.527 1.00 60.30 ATOM 2 CB MET 1 3.436 -0.705 -1.040 1.00 74.40 ATOM 3 HB1 MET 1 3.764 -1.125 -1.986 1.00 38.44 ATOM 4 HB2 MET 1 3.312 -1.509 -0.328 1.00 2.42 ATOM 5 CG MET 1 4.534 0.214 -0.531 1.00 51.02 ATOM 6 HG1 MET 1 4.329 0.454 0.502 1.00 38.44 ATOM 7 HG2 MET 1 4.534 1.123 -1.118 1.00 53.24 ATOM 8 SD MET 1 6.171 -0.533 -0.641 1.00 43.21 ATOM 9 CE MET 1 7.058 0.412 0.596 1.00 60.05 ATOM 10 HE1 MET 1 6.586 0.278 1.558 1.00 44.43 ATOM 11 HE2 MET 1 7.042 1.458 0.330 1.00 12.24 ATOM 12 HE3 MET 1 8.081 0.069 0.646 1.00 0.33 ATOM 13 C MET 1 1.311 -0.682 -2.361 1.00 30.32 ATOM 14 O MET 1 1.532 -1.855 -2.661 1.00 4.34 ATOM 15 N MET 1 1.329 0.000 0.000 1.00 0.00 ATOM 16 HT1 MET 1 1.051 -0.970 0.268 1.00 38.44 ATOM 17 HT2 MET 1 0.473 0.577 -0.111 1.00 38.44 ATOM 18 HT3 MET 1 1.895 0.409 0.775 1.00 38.44 ATOM 19 CA MET 1 2.093 -0.001 -1.242 1.00 52.33 ATOM 20 N GLY 2 0.395 0.061 -2.975 1.00 31.33 ATOM 21 HN GLY 2 0.253 0.995 -2.701 1.00 38.44 ATOM 22 CA GLY 2 -0.406 -0.490 -4.053 1.00 2.44 ATOM 23 HA1 GLY 2 0.026 -1.413 -4.420 1.00 38.44 ATOM 24 HA2 GLY 2 -0.419 0.224 -4.863 1.00 52.43 ATOM 25 C GLY 2 -1.838 -0.757 -3.633 1.00 43.11 ATOM 26 O GLY 2 -2.378 -1.833 -3.892 1.00 42.24 ATOM 27 N HIS 3 -2.455 0.224 -2.981 1.00 64.33 ATOM 28 HN HIS 3 -1.981 1.073 -2.813 1.00 38.44 ATOM 29 CA HIS 3 -3.833 0.089 -2.524 1.00 20.34 ATOM 30 HA HIS 3 -4.106 -0.962 -2.523 1.00 51.11 ATOM 31 CB HIS 3 -3.976 0.633 -1.102 1.00 53.01 ATOM 32 HB1 HIS 3 -5.016 0.871 -0.903 1.00 38.44 ATOM 33 HB2 HIS 3 -3.387 1.533 -1.004 1.00 22.23 ATOM 34 CG HIS 3 -3.522 -0.326 -0.045 1.00 5.41 ATOM 35 ND1 HIS 3 -2.193 -0.597 0.203 1.00 23.24 ATOM 36 HD1 HIS 3 -1.436 -0.214 -0.278 1.00 53.30 ATOM 37 CD2 HIS 3 -4.228 -1.077 0.832 1.00 61.03 ATOM 38 HD2 HIS 3 -5.305 -1.114 0.923 1.00 15.53 ATOM 39 CE1 HIS 3 -2.101 -1.476 1.186 1.00 53.51 ATOM 40 HE1 HIS 3 -1.184 -1.874 1.594 1.00 2.41 ATOM 41 NE2 HIS 3 -3.322 -1.783 1.585 1.00 13.42 ATOM 42 HE2 HIS 3 -3.539 -2.342 2.360 1.00 38.44 ATOM 43 C HIS 3 -4.790 0.820 -3.460 1.00 34.31 ATOM 44 O HIS 3 -4.379 1.688 -4.231 1.00 14.05 ATOM 45 N HIS 4 -6.069 0.462 -3.388 1.00 43.35 ATOM 46 HN HIS 4 -6.342 -0.239 -2.749 1.00 38.44 ATOM 47 CA HIS 4 -7.085 1.084 -4.230 1.00 43.40 ATOM 48 HA HIS 4 -6.606 1.519 -5.102 1.00 74.31 ATOM 49 CB HIS 4 -8.098 0.040 -4.699 1.00 14.13 ATOM 50 HB1 HIS 4 -8.980 0.536 -5.087 1.00 38.44 ATOM 51 HB2 HIS 4 -8.382 -0.581 -3.862 1.00 51.14 ATOM 52 CG HIS 4 -7.578 -0.857 -5.779 1.00 60.02 ATOM 53 ND1 HIS 4 -7.744 -0.592 -7.122 1.00 72.42 ATOM 54 HD1 HIS 4 -8.206 0.186 -7.499 1.00 43.53 ATOM 55 CD2 HIS 4 -6.890 -2.020 -5.709 1.00 22.51 ATOM 56 HD2 HIS 4 -6.582 -2.529 -4.806 1.00 34.32 ATOM 57 CE1 HIS 4 -7.182 -1.555 -7.831 1.00 74.12 ATOM 58 HE1 HIS 4 -7.156 -1.613 -8.909 1.00 44.00 ATOM 59 NE2 HIS 4 -6.656 -2.434 -6.997 1.00 53.04 ATOM 60 HE2 HIS 4 -6.095 -3.194 -7.257 1.00 38.44 ATOM 61 C HIS 4 -7.800 2.204 -3.480 1.00 40.33 ATOM 62 O HIS 4 -8.318 3.141 -4.089 1.00 73.33 ATOM 63 N HIS 5 -7.825 2.101 -2.155 1.00 41.02 ATOM 64 HN HIS 5 -7.368 1.360 -1.719 1.00 38.44 ATOM 65 CA HIS 5 -8.477 3.105 -1.322 1.00 50.33 ATOM 66 HA HIS 5 -8.885 3.887 -1.951 1.00 63.25 ATOM 67 CB HIS 5 -9.626 2.476 -0.534 1.00 0.35 ATOM 68 HB1 HIS 5 -10.441 2.272 -1.213 1.00 38.44 ATOM 69 HB2 HIS 5 -9.970 3.163 0.228 1.00 65.11 ATOM 70 CG HIS 5 -9.259 1.187 0.134 1.00 60.43 ATOM 71 ND1 HIS 5 -9.055 1.074 1.493 1.00 62.23 ATOM 72 HD1 HIS 5 -9.166 1.786 2.149 1.00 13.11 ATOM 73 CD2 HIS 5 -9.061 -0.050 -0.379 1.00 34.51 ATOM 74 HD2 HIS 5 -9.139 -0.332 -1.420 1.00 63.03 ATOM 75 CE1 HIS 5 -8.746 -0.176 1.787 1.00 63.40 ATOM 76 HE1 HIS 5 -8.533 -0.559 2.774 1.00 23.55 ATOM 77 NE2 HIS 5 -8.743 -0.879 0.669 1.00 74.33 ATOM 78 HE2 HIS 5 -8.453 -1.812 0.589 1.00 38.44 ATOM 79 C HIS 5 -7.479 3.748 -0.364 1.00 44.13 ATOM 80 O HIS 5 -7.433 4.971 -0.228 1.00 3.13 ATOM 81 N HIS 6 -6.681 2.916 0.298 1.00 70.12 ATOM 82 HN HIS 6 -6.741 1.950 0.155 1.00 38.44 ATOM 83 CA HIS 6 -5.683 3.403 1.244 1.00 53.45 ATOM 84 HA HIS 6 -5.295 2.540 1.762 1.00 31.50 ATOM 85 CB HIS 6 -4.554 4.119 0.502 1.00 23.10 ATOM 86 HB1 HIS 6 -4.833 5.146 0.301 1.00 38.44 ATOM 87 HB2 HIS 6 -4.375 3.616 -0.438 1.00 13.10 ATOM 88 CG HIS 6 -3.258 4.130 1.253 1.00 43.55 ATOM 89 ND1 HIS 6 -2.255 5.045 1.008 1.00 24.50 ATOM 90 HD1 HIS 6 -2.283 5.760 0.339 1.00 31.23 ATOM 91 CD2 HIS 6 -2.804 3.334 2.248 1.00 30.41 ATOM 92 HD2 HIS 6 -3.330 2.504 2.697 1.00 43.43 ATOM 93 CE1 HIS 6 -1.239 4.808 1.820 1.00 53.34 ATOM 94 HE1 HIS 6 -0.314 5.365 1.855 1.00 23.32 ATOM 95 NE2 HIS 6 -1.548 3.775 2.583 1.00 44.32 ATOM 96 HE2 HIS 6 -1.012 3.449 3.336 1.00 38.44 ATOM 97 C HIS 6 -6.316 4.346 2.263 1.00 41.11 ATOM 98 O HIS 6 -5.663 5.260 2.768 1.00 63.04 ATOM 99 N HIS 7 -7.591 4.118 2.561 1.00 52.53 ATOM 100 HN HIS 7 -8.052 3.356 2.169 1.00 38.44 ATOM 101 CA HIS 7 -8.312 4.948 3.520 1.00 71.22 ATOM 102 HA HIS 7 -8.229 5.979 3.188 1.00 11.32 ATOM 103 CB HIS 7 -9.790 4.559 3.552 1.00 15.13 ATOM 104 HB1 HIS 7 -9.916 3.635 4.103 1.00 38.44 ATOM 105 HB2 HIS 7 -10.135 4.411 2.538 1.00 43.52 ATOM 106 CG HIS 7 -10.669 5.598 4.177 1.00 15.33 ATOM 107 ND1 HIS 7 -11.421 5.366 5.310 1.00 2.31 ATOM 108 HD1 HIS 7 -11.459 4.523 5.809 1.00 60.03 ATOM 109 CD2 HIS 7 -10.913 6.881 3.822 1.00 14.52 ATOM 110 HD2 HIS 7 -10.489 7.403 2.976 1.00 33.20 ATOM 111 CE1 HIS 7 -12.090 6.461 5.624 1.00 51.23 ATOM 112 HE1 HIS 7 -12.760 6.573 6.464 1.00 14.15 ATOM 113 NE2 HIS 7 -11.799 7.396 4.737 1.00 74.34 ATOM 114 HE2 HIS 7 -12.082 8.333 4.790 1.00 38.44 ATOM 115 C HIS 7 -7.708 4.815 4.915 1.00 52.24 ATOM 116 O HIS 7 -7.840 3.777 5.563 1.00 21.31 ATOM 117 N HIS 8 -7.045 5.873 5.370 1.00 1.32 ATOM 118 HN HIS 8 -6.957 6.674 4.800 1.00 38.44 ATOM 119 CA HIS 8 -6.420 5.875 6.688 1.00 34.33 ATOM 120 HA HIS 8 -6.988 5.211 7.335 1.00 61.02 ATOM 121 CB HIS 8 -4.982 5.363 6.595 1.00 15.41 ATOM 122 HB1 HIS 8 -4.360 6.106 6.112 1.00 38.44 ATOM 123 HB2 HIS 8 -4.971 4.459 6.003 1.00 1.34 ATOM 124 CG HIS 8 -4.375 5.039 7.925 1.00 4.41 ATOM 125 ND1 HIS 8 -3.327 5.753 8.467 1.00 23.15 ATOM 126 HD1 HIS 8 -2.883 6.522 8.052 1.00 53.20 ATOM 127 CD2 HIS 8 -4.674 4.072 8.824 1.00 55.54 ATOM 128 HD2 HIS 8 -5.449 3.325 8.727 1.00 34.23 ATOM 129 CE1 HIS 8 -3.007 5.238 9.641 1.00 30.32 ATOM 130 HE1 HIS 8 -2.223 5.593 10.294 1.00 31.34 ATOM 131 NE2 HIS 8 -3.810 4.217 9.881 1.00 53.00 ATOM 132 HE2 HIS 8 -3.851 3.717 10.723 1.00 38.44 ATOM 133 C HIS 8 -6.437 7.274 7.296 1.00 42.22 ATOM 134 O HIS 8 -6.153 8.260 6.615 1.00 13.15 ATOM 135 N SER 9 -6.771 7.353 8.580 1.00 75.22 ATOM 136 HN SER 9 -6.976 6.525 9.078 1.00 38.44 ATOM 137 CA SER 9 -6.829 8.632 9.278 1.00 74.14 ATOM 138 HA SER 9 -7.416 9.316 8.674 1.00 34.32 ATOM 139 CB SER 9 -7.524 8.468 10.631 1.00 61.41 ATOM 140 HB1 SER 9 -8.555 8.191 10.467 1.00 38.44 ATOM 141 HB2 SER 9 -7.488 9.400 11.180 1.00 4.34 ATOM 142 OG SER 9 -6.902 7.456 11.404 1.00 61.43 ATOM 143 HG SER 9 -7.411 7.306 12.204 1.00 51.14 ATOM 144 C SER 9 -5.430 9.206 9.478 1.00 61.53 ATOM 145 O SER 9 -4.564 8.566 10.075 1.00 22.23 ATOM 146 N HIS 10 -5.216 10.417 8.973 1.00 22.42 ATOM 147 HN HIS 10 -5.936 10.882 8.491 1.00 38.44 ATOM 148 CA HIS 10 -3.922 11.078 9.096 1.00 2.23 ATOM 149 HA HIS 10 -3.254 10.442 9.667 1.00 54.11 ATOM 150 CB HIS 10 -3.316 11.321 7.714 1.00 63.23 ATOM 151 HB1 HIS 10 -3.682 12.249 7.293 1.00 38.44 ATOM 152 HB2 HIS 10 -3.609 10.510 7.060 1.00 71.10 ATOM 153 CG HIS 10 -1.818 11.360 7.714 1.00 35.45 ATOM 154 ND1 HIS 10 -1.040 10.378 8.292 1.00 55.32 ATOM 155 HD1 HIS 10 -1.374 9.578 8.749 1.00 71.30 ATOM 156 CD2 HIS 10 -0.956 12.268 7.202 1.00 12.52 ATOM 157 HD2 HIS 10 -1.219 13.174 6.674 1.00 43.22 ATOM 158 CE1 HIS 10 0.236 10.683 8.136 1.00 35.21 ATOM 159 HE1 HIS 10 1.073 10.097 8.486 1.00 75.23 ATOM 160 NE2 HIS 10 0.314 11.825 7.478 1.00 50.05 ATOM 161 HE2 HIS 10 1.143 12.232 7.150 1.00 38.44 ATOM 162 C HIS 10 -4.057 12.401 9.845 1.00 60.14 ATOM 163 O HIS 10 -3.778 13.467 9.296 1.00 23.51 ATOM 164 N MET 11 -4.488 12.324 11.100 1.00 63.15 ATOM 165 HN MET 11 -4.710 11.441 11.482 1.00 38.44 ATOM 166 CA MET 11 -4.659 13.515 11.923 1.00 53.43 ATOM 167 HA MET 11 -3.833 14.189 11.731 1.00 30.15 ATOM 168 CB MET 11 -5.967 14.224 11.565 1.00 11.31 ATOM 169 HB1 MET 11 -5.927 14.528 10.528 1.00 38.44 ATOM 170 HB2 MET 11 -6.058 15.113 12.178 1.00 22.10 ATOM 171 CG MET 11 -7.203 13.369 11.791 1.00 53.03 ATOM 172 HG1 MET 11 -8.022 14.031 12.030 1.00 38.44 ATOM 173 HG2 MET 11 -7.050 12.694 12.620 1.00 0.41 ATOM 174 SD MET 11 -7.649 12.396 10.340 1.00 40.15 ATOM 175 CE MET 11 -9.409 12.713 10.247 1.00 54.20 ATOM 176 HE1 MET 11 -9.884 12.375 11.156 1.00 72.43 ATOM 177 HE2 MET 11 -9.826 12.182 9.404 1.00 55.00 ATOM 178 HE3 MET 11 -9.578 13.773 10.125 1.00 74.53 ATOM 179 C MET 11 -4.650 13.158 13.405 1.00 31.25 ATOM 180 O MET 11 -4.719 11.985 13.771 1.00 72.31 ATOM 181 N ALA 12 -4.564 14.176 14.255 1.00 51.42 ATOM 182 HN ALA 12 -4.522 15.098 13.908 1.00 38.44 ATOM 183 CA ALA 12 -4.548 13.969 15.697 1.00 23.25 ATOM 184 HA ALA 12 -4.343 12.926 15.908 1.00 25.20 ATOM 185 CB ALA 12 -3.435 14.787 16.336 1.00 53.32 ATOM 186 HB1 ALA 12 -2.491 14.521 15.884 1.00 71.54 ATOM 187 HB2 ALA 12 -3.394 14.581 17.396 1.00 50.13 ATOM 188 HB3 ALA 12 -3.622 15.840 16.180 1.00 52.04 ATOM 189 C ALA 12 -5.894 14.326 16.319 1.00 45.31 ATOM 190 O ALA 12 -5.968 14.708 17.487 1.00 32.52 ATOM 191 N LYS 13 -6.956 14.202 15.531 1.00 62.45 ATOM 192 HN LYS 13 -6.864 13.881 14.614 1.00 38.44 ATOM 193 CA LYS 13 -8.300 14.511 16.003 1.00 72.23 ATOM 194 HA LYS 13 -8.961 14.458 15.160 1.00 33.14 ATOM 195 CB LYS 13 -8.741 13.490 17.054 1.00 74.54 ATOM 196 HB1 LYS 13 -9.558 13.900 17.638 1.00 38.44 ATOM 197 HB2 LYS 13 -7.919 13.288 17.723 1.00 33.00 ATOM 198 CG LYS 13 -9.191 12.164 16.463 1.00 44.32 ATOM 199 HG1 LYS 13 -9.006 11.390 17.195 1.00 38.44 ATOM 200 HG2 LYS 13 -8.618 11.943 15.570 1.00 64.05 ATOM 201 CD LYS 13 -10.675 12.172 16.140 1.00 53.53 ATOM 202 HD1 LYS 13 -11.214 12.768 16.866 1.00 38.44 ATOM 203 HD2 LYS 13 -11.036 11.155 16.180 1.00 62.33 ATOM 204 CE LYS 13 -10.940 12.725 14.747 1.00 3.15 ATOM 205 HE1 LYS 13 -10.168 12.387 14.066 1.00 38.44 ATOM 206 HE2 LYS 13 -10.930 13.802 14.795 1.00 4.11 ATOM 207 NZ LYS 13 -12.262 12.289 14.219 1.00 22.43 ATOM 208 HZ1 LYS 13 -12.412 12.684 13.268 1.00 3.41 ATOM 209 HZ2 LYS 13 -13.028 12.621 14.841 1.00 72.12 ATOM 210 HZ3 LYS 13 -12.303 11.250 14.159 1.00 43.23 ATOM 211 C LYS 13 -8.361 15.918 16.589 1.00 63.31 ATOM 212 O LYS 13 -8.494 16.107 17.798 1.00 14.11 ATOM 213 N PRO 14 -8.262 16.929 15.714 1.00 43.23 ATOM 214 CA PRO 14 -8.305 18.336 16.122 1.00 1.40 ATOM 215 HA PRO 14 -7.573 18.545 16.891 1.00 24.40 ATOM 216 CB PRO 14 -7.931 19.089 14.842 1.00 22.35 ATOM 217 HB1 PRO 14 -6.867 19.274 14.835 1.00 38.44 ATOM 218 HB2 PRO 14 -8.460 20.032 14.780 1.00 51.24 ATOM 219 CG PRO 14 -8.319 18.170 13.736 1.00 51.22 ATOM 220 HG1 PRO 14 -7.694 18.349 12.874 1.00 38.44 ATOM 221 HG2 PRO 14 -9.359 18.317 13.484 1.00 72.53 ATOM 222 CD PRO 14 -8.101 16.777 14.258 1.00 44.11 ATOM 223 HD1 PRO 14 -7.107 16.432 14.012 1.00 38.44 ATOM 224 HD2 PRO 14 -8.845 16.111 13.849 1.00 34.22 ATOM 225 C PRO 14 -9.689 18.758 16.603 1.00 51.43 ATOM 226 O PRO 14 -10.704 18.234 16.143 1.00 14.13 ATOM 227 N THR 15 -9.724 19.710 17.530 1.00 1.05 ATOM 228 HN THR 15 -8.880 20.106 17.853 1.00 38.44 ATOM 229 CA THR 15 -10.984 20.202 18.074 1.00 65.01 ATOM 230 HA THR 15 -11.745 19.439 17.923 1.00 64.45 ATOM 231 CB THR 15 -10.878 20.462 19.588 1.00 14.44 ATOM 232 HB THR 15 -10.286 21.353 19.756 1.00 63.22 ATOM 233 OG1 THR 15 -10.231 19.359 20.231 1.00 21.15 ATOM 234 HG1 THR 15 -10.723 18.539 20.091 1.00 25.31 ATOM 235 CG2 THR 15 -12.256 20.674 20.198 1.00 20.10 ATOM 236 HG21 THR 15 -12.158 20.799 21.266 1.00 24.25 ATOM 237 HG22 THR 15 -12.881 19.815 19.995 1.00 22.45 ATOM 238 HG23 THR 15 -12.710 21.558 19.776 1.00 21.41 ATOM 239 C THR 15 -11.418 21.487 17.378 1.00 72.41 ATOM 240 O THR 15 -10.687 22.476 17.368 1.00 42.24 ATOM 241 N ALA 16 -12.614 21.464 16.797 1.00 5.34 ATOM 242 HN ALA 16 -13.163 20.648 16.833 1.00 38.44 ATOM 243 CA ALA 16 -13.147 22.629 16.101 1.00 24.24 ATOM 244 HA ALA 16 -12.417 23.431 16.137 1.00 45.33 ATOM 245 CB ALA 16 -13.385 22.303 14.634 1.00 10.33 ATOM 246 HB1 ALA 16 -14.133 21.527 14.550 1.00 13.14 ATOM 247 HB2 ALA 16 -12.462 21.960 14.190 1.00 41.53 ATOM 248 HB3 ALA 16 -13.724 23.188 14.115 1.00 34.13 ATOM 249 C ALA 16 -14.436 23.116 16.754 1.00 72.54 ATOM 250 O ALA 16 -15.296 22.316 17.124 1.00 62.20 ATOM 251 N ARG 17 -14.564 24.431 16.892 1.00 40.13 ATOM 252 HN ARG 17 -13.839 25.027 16.588 1.00 38.44 ATOM 253 CA ARG 17 -15.748 25.024 17.501 1.00 33.14 ATOM 254 HA ARG 17 -16.555 24.299 17.492 1.00 72.40 ATOM 255 CB ARG 17 -15.458 25.421 18.950 1.00 61.30 ATOM 256 HB1 ARG 17 -16.258 26.053 19.321 1.00 38.44 ATOM 257 HB2 ARG 17 -14.536 25.986 18.971 1.00 25.22 ATOM 258 CG ARG 17 -15.300 24.234 19.886 1.00 4.15 ATOM 259 HG1 ARG 17 -14.651 24.524 20.700 1.00 38.44 ATOM 260 HG2 ARG 17 -14.856 23.403 19.362 1.00 23.34 ATOM 261 CD ARG 17 -16.638 23.795 20.460 1.00 23.12 ATOM 262 HD1 ARG 17 -16.554 22.760 20.760 1.00 38.44 ATOM 263 HD2 ARG 17 -17.407 23.882 19.703 1.00 40.40 ATOM 264 NE ARG 17 -17.022 24.591 21.623 1.00 74.32 ATOM 265 HE ARG 17 -16.437 25.341 21.883 1.00 30.42 ATOM 266 CZ ARG 17 -18.114 24.359 22.344 1.00 63.43 ATOM 267 NH1 ARG 17 -18.924 23.359 22.023 1.00 24.14 ATOM 268 HH11 ARG 17 -18.733 22.766 21.242 1.00 64.32 ATOM 269 HH12 ARG 17 -19.746 23.191 22.572 1.00 51.53 ATOM 270 NH2 ARG 17 -18.396 25.127 23.388 1.00 74.00 ATOM 271 HH21 ARG 17 -17.787 25.883 23.636 1.00 50.34 ATOM 272 HH22 ARG 17 -19.219 24.954 23.933 1.00 63.43 ATOM 273 C ARG 17 -16.213 26.244 16.712 1.00 53.01 ATOM 274 O ARG 17 -15.475 26.781 15.887 1.00 71.42 ATOM 275 N GLY 18 -17.444 26.677 16.971 1.00 25.12 ATOM 276 HN GLY 18 -17.990 26.215 17.651 1.00 38.44 ATOM 277 CA GLY 18 -17.986 27.830 16.276 1.00 31.35 ATOM 278 HA1 GLY 18 -17.652 27.819 15.244 1.00 38.44 ATOM 279 HA2 GLY 18 -17.608 28.725 16.749 1.00 20.34 ATOM 280 C GLY 18 -19.502 27.852 16.286 1.00 3.12 ATOM 281 O GLY 18 -20.145 26.897 15.852 1.00 12.42 ATOM 282 N GLU 19 -20.073 28.944 16.784 1.00 2.43 ATOM 283 HN GLU 19 -19.506 29.689 17.089 1.00 38.44 ATOM 284 CA GLU 19 -21.523 29.085 16.851 1.00 64.01 ATOM 285 HA GLU 19 -21.982 28.118 16.674 1.00 24.12 ATOM 286 CB GLU 19 -21.948 29.564 18.240 1.00 4.54 ATOM 287 HB1 GLU 19 -21.721 28.784 18.953 1.00 38.44 ATOM 288 HB2 GLU 19 -23.019 29.727 18.239 1.00 42.50 ATOM 289 CG GLU 19 -21.239 30.831 18.690 1.00 24.24 ATOM 290 HG1 GLU 19 -20.999 31.447 17.835 1.00 38.44 ATOM 291 HG2 GLU 19 -20.324 30.551 19.190 1.00 34.12 ATOM 292 CD GLU 19 -22.074 31.658 19.648 1.00 21.13 ATOM 293 OE1 GLU 19 -21.519 32.130 20.663 1.00 41.03 ATOM 294 OE2 GLU 19 -23.282 31.833 19.384 1.00 4.02 ATOM 295 C GLU 19 -22.024 30.060 15.789 1.00 31.41 ATOM 296 O GLU 19 -21.329 31.007 15.424 1.00 54.32 ATOM 297 N ALA 20 -23.235 29.818 15.298 1.00 51.34 ATOM 298 HN ALA 20 -23.743 29.038 15.628 1.00 38.44 ATOM 299 CA ALA 20 -23.831 30.674 14.279 1.00 3.43 ATOM 300 HA ALA 20 -23.828 31.693 14.646 1.00 51.51 ATOM 301 CB ALA 20 -23.004 30.630 13.003 1.00 4.41 ATOM 302 HB1 ALA 20 -22.002 30.972 13.197 1.00 34.51 ATOM 303 HB2 ALA 20 -23.457 31.273 12.273 1.00 53.33 ATOM 304 HB3 ALA 20 -22.972 29.618 12.627 1.00 10.20 ATOM 305 C ALA 20 -25.272 30.266 13.993 1.00 64.54 ATOM 306 O ALA 20 -25.751 29.251 14.496 1.00 31.32 ATOM 307 N GLY 21 -25.958 31.064 13.180 1.00 30.42 ATOM 308 HN GLY 21 -25.529 31.873 12.812 1.00 38.44 ATOM 309 CA GLY 21 -27.338 30.768 12.841 1.00 22.15 ATOM 310 HA1 GLY 21 -27.983 31.271 13.546 1.00 38.44 ATOM 311 HA2 GLY 21 -27.517 29.701 12.905 1.00 32.14 ATOM 312 C GLY 21 -27.702 31.224 11.443 1.00 50.34 ATOM 313 O GLY 21 -28.415 32.213 11.271 1.00 70.11 ATOM 314 N SER 22 -27.210 30.504 10.440 1.00 72.41 ATOM 315 HN SER 22 -26.633 29.727 10.639 1.00 38.44 ATOM 316 CA SER 22 -27.484 30.843 9.048 1.00 4.44 ATOM 317 HA SER 22 -28.495 31.226 8.977 1.00 72.52 ATOM 318 CB SER 22 -26.512 31.922 8.564 1.00 32.34 ATOM 319 HB1 SER 22 -26.983 32.496 7.780 1.00 38.44 ATOM 320 HB2 SER 22 -25.621 31.464 8.180 1.00 72.32 ATOM 321 OG SER 22 -26.161 32.802 9.618 1.00 54.21 ATOM 322 HG SER 22 -25.593 33.498 9.279 1.00 41.42 ATOM 323 C SER 22 -27.377 29.610 8.157 1.00 72.11 ATOM 324 O SER 22 -26.868 28.570 8.576 1.00 74.03 ATOM 325 N ARG 23 -27.861 29.734 6.925 1.00 11.14 ATOM 326 HN ARG 23 -28.233 30.602 6.642 1.00 38.44 ATOM 327 CA ARG 23 -27.822 28.630 5.974 1.00 32.23 ATOM 328 HA ARG 23 -28.339 27.787 6.416 1.00 34.14 ATOM 329 CB ARG 23 -28.519 29.026 4.671 1.00 0.24 ATOM 330 HB1 ARG 23 -28.105 28.446 3.854 1.00 38.44 ATOM 331 HB2 ARG 23 -28.332 30.073 4.469 1.00 42.32 ATOM 332 CG ARG 23 -30.019 28.778 4.683 1.00 45.33 ATOM 333 HG1 ARG 23 -30.244 27.923 5.308 1.00 38.44 ATOM 334 HG2 ARG 23 -30.343 28.572 3.673 1.00 33.23 ATOM 335 CD ARG 23 -30.779 29.986 5.207 1.00 1.33 ATOM 336 HD1 ARG 23 -30.203 30.458 5.989 1.00 38.44 ATOM 337 HD2 ARG 23 -31.717 29.643 5.619 1.00 10.11 ATOM 338 NE ARG 23 -31.062 30.955 4.152 1.00 54.20 ATOM 339 HE ARG 23 -30.979 30.656 3.216 1.00 40.30 ATOM 340 CZ ARG 23 -31.430 32.210 4.386 1.00 75.12 ATOM 341 NH1 ARG 23 -31.558 32.646 5.631 1.00 35.55 ATOM 342 HH11 ARG 23 -31.388 32.053 6.414 1.00 20.31 ATOM 343 HH12 ARG 23 -31.833 33.596 5.795 1.00 44.22 ATOM 344 NH2 ARG 23 -31.671 33.032 3.372 1.00 21.13 ATOM 345 HH21 ARG 23 -31.576 32.709 2.428 1.00 52.21 ATOM 346 HH22 ARG 23 -31.949 33.979 3.546 1.00 21.22 ATOM 347 C ARG 23 -26.384 28.210 5.687 1.00 4.20 ATOM 348 O ARG 23 -26.000 27.065 5.929 1.00 53.53 ATOM 349 N ASP 24 -25.593 29.144 5.170 1.00 63.22 ATOM 350 HN ASP 24 -25.957 30.050 5.028 1.00 38.44 ATOM 351 CA ASP 24 -24.196 28.871 4.850 1.00 52.42 ATOM 352 HA ASP 24 -24.156 28.033 4.180 1.00 14.11 ATOM 353 CB ASP 24 -23.565 30.079 4.154 1.00 33.42 ATOM 354 HB1 ASP 24 -22.590 29.803 3.780 1.00 38.44 ATOM 355 HB2 ASP 24 -23.459 30.890 4.862 1.00 32.41 ATOM 356 CG ASP 24 -24.400 30.578 2.991 1.00 2.02 ATOM 357 OD1 ASP 24 -24.329 31.787 2.685 1.00 23.04 ATOM 358 OD2 ASP 24 -25.123 29.760 2.386 1.00 34.22 ATOM 359 C ASP 24 -23.408 28.525 6.109 1.00 22.11 ATOM 360 O ASP 24 -22.397 27.827 6.047 1.00 63.54 ATOM 361 N GLU 25 -23.878 29.019 7.250 1.00 3.22 ATOM 362 HN GLU 25 -24.674 29.596 7.246 1.00 38.44 ATOM 363 CA GLU 25 -23.215 28.763 8.523 1.00 23.24 ATOM 364 HA GLU 25 -22.149 28.912 8.388 1.00 12.41 ATOM 365 CB GLU 25 -23.726 29.729 9.594 1.00 53.12 ATOM 366 HB1 GLU 25 -23.617 29.276 10.571 1.00 38.44 ATOM 367 HB2 GLU 25 -24.773 29.929 9.425 1.00 51.33 ATOM 368 CG GLU 25 -22.985 31.055 9.621 1.00 3.04 ATOM 369 HG1 GLU 25 -21.965 30.879 9.928 1.00 38.44 ATOM 370 HG2 GLU 25 -23.468 31.708 10.328 1.00 22.53 ATOM 371 CD GLU 25 -22.975 31.746 8.272 1.00 54.42 ATOM 372 OE1 GLU 25 -23.683 32.765 8.123 1.00 72.42 ATOM 373 OE2 GLU 25 -22.261 31.270 7.365 1.00 33.23 ATOM 374 C GLU 25 -23.440 27.322 8.974 1.00 42.24 ATOM 375 O GLU 25 -22.505 26.637 9.387 1.00 24.24 ATOM 376 N ARG 26 -24.687 26.870 8.890 1.00 2.52 ATOM 377 HN ARG 26 -25.397 27.468 8.558 1.00 38.44 ATOM 378 CA ARG 26 -25.036 25.513 9.290 1.00 21.34 ATOM 379 HA ARG 26 -24.845 25.411 10.344 1.00 1.22 ATOM 380 CB ARG 26 -26.517 25.243 9.019 1.00 50.02 ATOM 381 HB1 ARG 26 -26.664 24.177 8.874 1.00 38.44 ATOM 382 HB2 ARG 26 -26.812 25.759 8.115 1.00 52.41 ATOM 383 CG ARG 26 -27.435 25.695 10.143 1.00 44.41 ATOM 384 HG1 ARG 26 -27.477 26.774 10.148 1.00 38.44 ATOM 385 HG2 ARG 26 -27.041 25.344 11.087 1.00 51.04 ATOM 386 CD ARG 26 -28.841 25.144 9.970 1.00 53.33 ATOM 387 HD1 ARG 26 -28.848 24.108 10.277 1.00 38.44 ATOM 388 HD2 ARG 26 -29.117 25.212 8.924 1.00 11.51 ATOM 389 NE ARG 26 -29.820 25.882 10.764 1.00 41.21 ATOM 390 HE ARG 26 -29.483 26.515 11.441 1.00 4.33 ATOM 391 CZ ARG 26 -31.134 25.743 10.626 1.00 63.20 ATOM 392 NH1 ARG 26 -31.624 24.897 9.730 1.00 45.43 ATOM 393 HH11 ARG 26 -31.027 24.350 9.147 1.00 21.25 ATOM 394 HH12 ARG 26 -32.617 24.801 9.632 1.00 52.43 ATOM 395 NH2 ARG 26 -31.960 26.450 11.386 1.00 75.40 ATOM 396 HH21 ARG 26 -31.596 27.090 12.066 1.00 61.31 ATOM 397 HH22 ARG 26 -32.952 26.347 11.284 1.00 2.14 ATOM 398 C ARG 26 -24.178 24.490 8.551 1.00 2.40 ATOM 399 O ARG 26 -23.817 23.452 9.105 1.00 63.23 ATOM 400 N ARG 27 -23.856 24.792 7.297 1.00 24.04 ATOM 401 HN ARG 27 -24.182 25.632 6.898 1.00 38.44 ATOM 402 CA ARG 27 -23.042 23.899 6.482 1.00 63.23 ATOM 403 HA ARG 27 -23.459 22.900 6.552 1.00 62.43 ATOM 404 CB ARG 27 -23.060 24.350 5.020 1.00 2.11 ATOM 405 HB1 ARG 27 -22.153 24.039 4.548 1.00 38.44 ATOM 406 HB2 ARG 27 -23.108 25.431 4.987 1.00 62.11 ATOM 407 CG ARG 27 -24.236 23.803 4.228 1.00 13.23 ATOM 408 HG1 ARG 27 -25.148 24.230 4.623 1.00 38.44 ATOM 409 HG2 ARG 27 -24.264 22.727 4.335 1.00 4.03 ATOM 410 CD ARG 27 -24.120 24.144 2.751 1.00 51.21 ATOM 411 HD1 ARG 27 -23.605 23.332 2.259 1.00 38.44 ATOM 412 HD2 ARG 27 -23.546 25.054 2.618 1.00 13.04 ATOM 413 NE ARG 27 -25.428 24.300 2.121 1.00 53.52 ATOM 414 HE ARG 27 -25.758 23.552 1.576 1.00 43.33 ATOM 415 CZ ARG 27 -26.180 25.388 2.248 1.00 50.31 ATOM 416 NH1 ARG 27 -25.755 26.410 2.978 1.00 50.21 ATOM 417 HH11 ARG 27 -24.879 26.380 3.443 1.00 73.34 ATOM 418 HH12 ARG 27 -26.325 27.230 3.065 1.00 35.31 ATOM 419 NH2 ARG 27 -27.359 25.456 1.644 1.00 74.44 ATOM 420 HH21 ARG 27 -27.686 24.688 1.090 1.00 10.32 ATOM 421 HH22 ARG 27 -27.928 26.276 1.739 1.00 54.40 ATOM 422 C ARG 27 -21.605 23.853 6.993 1.00 1.25 ATOM 423 O ARG 27 -20.897 22.866 6.797 1.00 3.22 ATOM 424 N ALA 28 -21.182 24.929 7.650 1.00 63.52 ATOM 425 HN ALA 28 -21.774 25.699 7.755 1.00 38.44 ATOM 426 CA ALA 28 -19.831 25.011 8.191 1.00 63.42 ATOM 427 HA ALA 28 -19.138 24.644 7.443 1.00 54.40 ATOM 428 CB ALA 28 -19.468 26.458 8.487 1.00 2.30 ATOM 429 HB1 ALA 28 -18.419 26.524 8.733 1.00 33.31 ATOM 430 HB2 ALA 28 -20.056 26.830 9.313 1.00 64.32 ATOM 431 HB3 ALA 28 -19.668 27.052 7.613 1.00 62.14 ATOM 432 C ALA 28 -19.690 24.160 9.449 1.00 54.13 ATOM 433 O ALA 28 -18.889 23.226 9.493 1.00 72.55 ATOM 434 N LEU 29 -20.473 24.490 10.470 1.00 31.42 ATOM 435 HN LEU 29 -21.070 25.266 10.376 1.00 38.44 ATOM 436 CA LEU 29 -20.436 23.756 11.731 1.00 63.15 ATOM 437 HA LEU 29 -19.439 23.842 12.141 1.00 51.43 ATOM 438 CB LEU 29 -21.430 24.359 12.724 1.00 32.11 ATOM 439 HB1 LEU 29 -20.981 25.269 13.102 1.00 38.44 ATOM 440 HB2 LEU 29 -21.529 23.678 13.565 1.00 24.11 ATOM 441 CG LEU 29 -22.816 24.689 12.170 1.00 75.33 ATOM 442 HG LEU 29 -22.865 24.466 11.116 1.00 61.30 ATOM 443 CD1 LEU 29 -23.879 23.839 12.849 1.00 12.22 ATOM 444 HD11 LEU 29 -23.890 24.046 13.911 1.00 35.51 ATOM 445 HD12 LEU 29 -23.661 22.792 12.690 1.00 72.31 ATOM 446 HD13 LEU 29 -24.849 24.067 12.429 1.00 65.44 ATOM 447 CD2 LEU 29 -23.122 26.169 12.345 1.00 54.15 ATOM 448 HD21 LEU 29 -22.382 26.756 11.821 1.00 60.02 ATOM 449 HD22 LEU 29 -23.096 26.422 13.396 1.00 34.53 ATOM 450 HD23 LEU 29 -24.100 26.395 11.952 1.00 13.01 ATOM 451 C LEU 29 -20.751 22.280 11.511 1.00 64.32 ATOM 452 O LEU 29 -20.261 21.416 12.238 1.00 74.44 ATOM 453 N ALA 30 -21.569 21.998 10.502 1.00 12.42 ATOM 454 HN ALA 30 -21.957 22.728 9.967 1.00 38.44 ATOM 455 CA ALA 30 -21.946 20.627 10.184 1.00 62.21 ATOM 456 HA ALA 30 -22.375 20.178 11.071 1.00 33.34 ATOM 457 CB ALA 30 -23.007 20.610 9.093 1.00 4.32 ATOM 458 HB1 ALA 30 -23.913 21.057 9.470 1.00 41.21 ATOM 459 HB2 ALA 30 -23.213 19.590 8.794 1.00 4.25 ATOM 460 HB3 ALA 30 -22.656 21.172 8.240 1.00 64.32 ATOM 461 C ALA 30 -20.732 19.809 9.756 1.00 3.20 ATOM 462 O ALA 30 -20.608 18.636 10.105 1.00 61.30 ATOM 463 N MET 31 -19.839 20.437 8.998 1.00 42.01 ATOM 464 HN MET 31 -19.985 21.379 8.745 1.00 38.44 ATOM 465 CA MET 31 -18.634 19.767 8.523 1.00 21.41 ATOM 466 HA MET 31 -18.817 18.702 8.484 1.00 33.12 ATOM 467 CB MET 31 -18.266 20.263 7.123 1.00 34.33 ATOM 468 HB1 MET 31 -17.304 19.854 6.836 1.00 38.44 ATOM 469 HB2 MET 31 -18.193 21.340 7.147 1.00 4.25 ATOM 470 CG MET 31 -19.282 19.883 6.058 1.00 70.11 ATOM 471 HG1 MET 31 -18.986 20.334 5.129 1.00 38.44 ATOM 472 HG2 MET 31 -20.255 20.251 6.346 1.00 22.34 ATOM 473 SD MET 31 -19.384 18.101 5.799 1.00 44.52 ATOM 474 CE MET 31 -17.912 17.818 4.818 1.00 73.44 ATOM 475 HE1 MET 31 -17.047 18.021 5.419 1.00 3.25 ATOM 476 HE2 MET 31 -17.918 18.474 3.961 1.00 12.03 ATOM 477 HE3 MET 31 -17.891 16.790 4.487 1.00 21.53 ATOM 478 C MET 31 -17.469 20.000 9.480 1.00 70.11 ATOM 479 O MET 31 -16.396 19.417 9.322 1.00 11.01 ATOM 480 N LYS 32 -17.687 20.856 10.472 1.00 22.05 ATOM 481 HN LYS 32 -18.538 21.314 10.551 1.00 38.44 ATOM 482 CA LYS 32 -16.656 21.166 11.456 1.00 11.20 ATOM 483 HA LYS 32 -17.081 21.846 12.179 1.00 1.45 ATOM 484 CB LYS 32 -16.208 19.892 12.175 1.00 70.41 ATOM 485 HB1 LYS 32 -15.626 20.178 13.033 1.00 38.44 ATOM 486 HB2 LYS 32 -15.586 19.300 11.516 1.00 13.00 ATOM 487 CG LYS 32 -17.361 19.023 12.649 1.00 43.43 ATOM 488 HG1 LYS 32 -17.990 18.774 11.809 1.00 38.44 ATOM 489 HG2 LYS 32 -17.945 19.576 13.372 1.00 12.53 ATOM 490 CD LYS 32 -16.865 17.727 13.267 1.00 62.24 ATOM 491 HD1 LYS 32 -15.957 17.403 12.773 1.00 38.44 ATOM 492 HD2 LYS 32 -17.627 16.973 13.137 1.00 74.01 ATOM 493 CE LYS 32 -16.595 17.886 14.755 1.00 35.11 ATOM 494 HE1 LYS 32 -16.636 16.909 15.214 1.00 38.44 ATOM 495 HE2 LYS 32 -17.353 18.517 15.201 1.00 11.35 ATOM 496 NZ LYS 32 -15.254 18.477 15.016 1.00 64.40 ATOM 497 HZ1 LYS 32 -14.941 18.224 15.975 1.00 1.34 ATOM 498 HZ2 LYS 32 -15.300 19.511 14.952 1.00 2.22 ATOM 499 HZ3 LYS 32 -14.547 18.126 14.333 1.00 54.15 ATOM 500 C LYS 32 -15.457 21.837 10.794 1.00 1.52 ATOM 501 O LYS 32 -14.348 21.303 10.811 1.00 44.22 ATOM 502 N ILE 33 -15.687 23.011 10.214 1.00 20.51 ATOM 503 HN ILE 33 -16.596 23.396 10.242 1.00 38.44 ATOM 504 CA ILE 33 -14.625 23.755 9.550 1.00 65.15 ATOM 505 HA ILE 33 -14.002 23.035 9.046 1.00 44.32 ATOM 506 CB ILE 33 -15.191 24.725 8.496 1.00 41.10 ATOM 507 HB ILE 33 -15.813 25.453 8.998 1.00 11.44 ATOM 508 CG1 ILE 33 -16.043 23.965 7.477 1.00 11.33 ATOM 509 HG11 ILE 33 -16.457 24.668 6.767 1.00 38.44 ATOM 510 HG12 ILE 33 -16.854 23.464 7.986 1.00 31.14 ATOM 511 CG2 ILE 33 -14.061 25.469 7.800 1.00 53.23 ATOM 512 HG21 ILE 33 -13.412 24.779 7.293 1.00 11.43 ATOM 513 HG22 ILE 33 -13.498 26.022 8.511 1.00 1.42 ATOM 514 HG23 ILE 33 -14.478 26.155 7.076 1.00 71.33 ATOM 515 CD1 ILE 33 -15.270 22.924 6.699 1.00 5.11 ATOM 516 HD11 ILE 33 -14.469 23.388 6.149 1.00 54.21 ATOM 517 HD12 ILE 33 -15.939 22.441 6.002 1.00 51.31 ATOM 518 HD13 ILE 33 -14.869 22.181 7.368 1.00 71.52 ATOM 519 C ILE 33 -13.794 24.544 10.556 1.00 65.31 ATOM 520 O ILE 33 -14.321 25.231 11.431 1.00 42.03 ATOM 521 N PRO 34 -12.462 24.445 10.430 1.00 42.32 ATOM 522 CA PRO 34 -11.529 25.145 11.318 1.00 22.32 ATOM 523 HA PRO 34 -11.737 24.935 12.357 1.00 1.31 ATOM 524 CB PRO 34 -10.168 24.555 10.938 1.00 11.35 ATOM 525 HB1 PRO 34 -9.944 23.726 11.593 1.00 38.44 ATOM 526 HB2 PRO 34 -9.386 25.301 11.022 1.00 14.40 ATOM 527 CG PRO 34 -10.334 24.093 9.532 1.00 55.51 ATOM 528 HG1 PRO 34 -9.667 23.266 9.338 1.00 38.44 ATOM 529 HG2 PRO 34 -10.133 24.894 8.863 1.00 33.51 ATOM 530 CD PRO 34 -11.764 23.644 9.410 1.00 13.10 ATOM 531 HD1 PRO 34 -11.844 22.589 9.629 1.00 38.44 ATOM 532 HD2 PRO 34 -12.120 23.845 8.425 1.00 40.41 ATOM 533 C PRO 34 -11.537 26.653 11.095 1.00 3.24 ATOM 534 O PRO 34 -11.486 27.432 12.048 1.00 60.21 ATOM 535 N PHE 35 -11.601 27.060 9.832 1.00 72.21 ATOM 536 HN PHE 35 -11.676 26.398 9.128 1.00 38.44 ATOM 537 CA PHE 35 -11.615 28.476 9.484 1.00 33.12 ATOM 538 HA PHE 35 -11.181 29.028 10.308 1.00 3.14 ATOM 539 CB PHE 35 -10.762 28.726 8.239 1.00 71.42 ATOM 540 HB1 PHE 35 -9.721 28.595 8.504 1.00 38.44 ATOM 541 HB2 PHE 35 -10.901 29.742 7.894 1.00 43.54 ATOM 542 CG PHE 35 -11.077 27.798 7.101 1.00 60.54 ATOM 543 CD1 PHE 35 -10.361 26.624 6.928 1.00 32.20 ATOM 544 HD1 PHE 35 -9.567 26.383 7.613 1.00 41.54 ATOM 545 CD2 PHE 35 -12.088 28.099 6.203 1.00 53.22 ATOM 546 HD2 PHE 35 -12.655 29.010 6.323 1.00 62.30 ATOM 547 CE1 PHE 35 -10.649 25.767 5.882 1.00 44.31 ATOM 548 HE1 PHE 35 -10.083 24.856 5.760 1.00 54.02 ATOM 549 CE2 PHE 35 -12.380 27.247 5.155 1.00 35.52 ATOM 550 HE2 PHE 35 -13.158 27.482 4.466 1.00 43.21 ATOM 551 CZ PHE 35 -11.659 26.080 4.994 1.00 60.23 ATOM 552 HZ PHE 35 -11.884 25.415 4.177 1.00 24.12 ATOM 553 C PHE 35 -13.041 28.963 9.244 1.00 73.45 ATOM 554 O PHE 35 -13.941 28.189 8.913 1.00 3.51 ATOM 555 N PRO 36 -13.254 30.276 9.413 1.00 33.04 ATOM 556 CA PRO 36 -14.568 30.896 9.220 1.00 13.32 ATOM 557 HA PRO 36 -15.328 30.400 9.809 1.00 12.22 ATOM 558 CB PRO 36 -14.367 32.322 9.740 1.00 53.01 ATOM 559 HB1 PRO 36 -14.659 32.367 10.778 1.00 38.44 ATOM 560 HB2 PRO 36 -14.957 33.025 9.170 1.00 64.34 ATOM 561 CG PRO 36 -12.908 32.579 9.585 1.00 11.51 ATOM 562 HG1 PRO 36 -12.580 33.297 10.322 1.00 38.44 ATOM 563 HG2 PRO 36 -12.709 32.939 8.597 1.00 31.53 ATOM 564 CD PRO 36 -12.228 31.257 9.807 1.00 75.54 ATOM 565 HD1 PRO 36 -11.963 31.141 10.848 1.00 38.44 ATOM 566 HD2 PRO 36 -11.353 31.191 9.189 1.00 4.02 ATOM 567 C PRO 36 -14.989 30.918 7.755 1.00 73.02 ATOM 568 O PRO 36 -14.149 30.888 6.855 1.00 24.04 ATOM 569 N THR 37 -16.297 30.971 7.520 1.00 21.31 ATOM 570 HN THR 37 -16.919 31.026 8.283 1.00 38.44 ATOM 571 CA THR 37 -16.830 30.996 6.164 1.00 65.33 ATOM 572 HA THR 37 -16.335 30.233 5.595 1.00 71.51 ATOM 573 CB THR 37 -18.341 30.699 6.148 1.00 21.22 ATOM 574 HB THR 37 -18.658 30.574 5.121 1.00 3.12 ATOM 575 OG1 THR 37 -19.061 31.790 6.732 1.00 43.41 ATOM 576 HG1 THR 37 -19.959 31.804 6.391 1.00 35.25 ATOM 577 CG2 THR 37 -18.649 29.418 6.908 1.00 24.54 ATOM 578 HG21 THR 37 -19.698 29.185 6.802 1.00 3.20 ATOM 579 HG22 THR 37 -18.418 29.548 7.954 1.00 4.55 ATOM 580 HG23 THR 37 -18.061 28.604 6.507 1.00 31.31 ATOM 581 C THR 37 -16.582 32.346 5.500 1.00 25.44 ATOM 582 O THR 37 -16.272 32.416 4.311 1.00 24.10 ATOM 583 N ASP 38 -16.719 33.415 6.277 1.00 71.15 ATOM 584 HN ASP 38 -17.024 33.293 7.205 1.00 38.44 ATOM 585 CA ASP 38 -16.508 34.764 5.764 1.00 21.21 ATOM 586 HA ASP 38 -17.261 34.957 5.013 1.00 73.40 ATOM 587 CB ASP 38 -16.658 35.789 6.889 1.00 13.01 ATOM 588 HB1 ASP 38 -17.710 35.918 7.102 1.00 38.44 ATOM 589 HB2 ASP 38 -16.245 36.741 6.581 1.00 72.51 ATOM 590 CG ASP 38 -15.965 35.354 8.165 1.00 5.41 ATOM 591 OD1 ASP 38 -14.716 35.366 8.196 1.00 41.24 ATOM 592 OD2 ASP 38 -16.670 35.003 9.134 1.00 51.25 ATOM 593 C ASP 38 -15.130 34.892 5.123 1.00 5.12 ATOM 594 O ASP 38 -14.956 35.605 4.135 1.00 53.33 ATOM 595 N LYS 39 -14.151 34.197 5.693 1.00 3.52 ATOM 596 HN LYS 39 -14.341 33.650 6.491 1.00 38.44 ATOM 597 CA LYS 39 -12.787 34.233 5.179 1.00 61.53 ATOM 598 HA LYS 39 -12.498 35.263 5.049 1.00 22.03 ATOM 599 CB LYS 39 -11.826 33.586 6.179 1.00 62.23 ATOM 600 HB1 LYS 39 -12.165 32.583 6.394 1.00 38.44 ATOM 601 HB2 LYS 39 -11.846 34.169 7.089 1.00 2.12 ATOM 602 CG LYS 39 -10.391 33.514 5.685 1.00 54.25 ATOM 603 HG1 LYS 39 -10.103 34.472 5.281 1.00 38.44 ATOM 604 HG2 LYS 39 -10.343 32.763 4.918 1.00 60.34 ATOM 605 CD LYS 39 -9.437 33.115 6.798 1.00 53.31 ATOM 606 HD1 LYS 39 -8.631 32.540 6.366 1.00 38.44 ATOM 607 HD2 LYS 39 -9.955 32.506 7.530 1.00 44.41 ATOM 608 CE LYS 39 -8.845 34.335 7.488 1.00 71.41 ATOM 609 HE1 LYS 39 -9.552 35.156 7.451 1.00 38.44 ATOM 610 HE2 LYS 39 -7.941 34.620 6.971 1.00 3.22 ATOM 611 NZ LYS 39 -8.515 34.059 8.914 1.00 42.34 ATOM 612 HZ1 LYS 39 -8.113 34.911 9.356 1.00 10.23 ATOM 613 HZ2 LYS 39 -7.818 33.288 8.982 1.00 42.33 ATOM 614 HZ3 LYS 39 -9.373 33.785 9.438 1.00 63.01 ATOM 615 C LYS 39 -12.694 33.519 3.834 1.00 73.51 ATOM 616 O LYS 39 -11.811 33.808 3.027 1.00 42.34 ATOM 617 N ILE 40 -13.612 32.586 3.600 1.00 44.22 ATOM 618 HN ILE 40 -14.286 32.395 4.274 1.00 38.44 ATOM 619 CA ILE 40 -13.634 31.834 2.352 1.00 61.43 ATOM 620 HA ILE 40 -12.651 31.400 2.201 1.00 10.43 ATOM 621 CB ILE 40 -14.664 30.690 2.402 1.00 13.12 ATOM 622 HB ILE 40 -15.648 31.115 2.509 1.00 3.42 ATOM 623 CG1 ILE 40 -14.383 29.773 3.594 1.00 23.02 ATOM 624 HG11 ILE 40 -14.404 30.345 4.505 1.00 38.44 ATOM 625 HG12 ILE 40 -13.406 29.331 3.479 1.00 74.01 ATOM 626 CG2 ILE 40 -14.643 29.900 1.102 1.00 23.13 ATOM 627 HG21 ILE 40 -14.299 28.894 1.275 1.00 51.32 ATOM 628 HG22 ILE 40 -14.003 30.356 0.370 1.00 14.14 ATOM 629 HG23 ILE 40 -15.647 29.856 0.708 1.00 53.10 ATOM 630 CD1 ILE 40 -15.387 28.651 3.744 1.00 44.41 ATOM 631 HD11 ILE 40 -15.321 27.980 2.911 1.00 54.43 ATOM 632 HD12 ILE 40 -16.381 29.064 3.785 1.00 43.32 ATOM 633 HD13 ILE 40 -15.191 28.112 4.658 1.00 22.24 ATOM 634 C ILE 40 -13.955 32.741 1.169 1.00 73.54 ATOM 635 O ILE 40 -13.380 32.599 0.089 1.00 31.45 ATOM 636 N VAL 41 -14.877 33.675 1.379 1.00 33.43 ATOM 637 HN VAL 41 -15.311 33.746 2.261 1.00 38.44 ATOM 638 CA VAL 41 -15.274 34.608 0.331 1.00 24.34 ATOM 639 HA VAL 41 -15.108 34.140 -0.635 1.00 22.53 ATOM 640 CB VAL 41 -16.769 34.964 0.433 1.00 23.21 ATOM 641 HB VAL 41 -16.931 35.525 1.345 1.00 52.43 ATOM 642 CG1 VAL 41 -17.192 35.834 -0.741 1.00 24.32 ATOM 643 HG11 VAL 41 -16.917 35.355 -1.671 1.00 42.43 ATOM 644 HG12 VAL 41 -16.712 36.798 -0.676 1.00 50.15 ATOM 645 HG13 VAL 41 -18.265 35.977 -0.720 1.00 65.21 ATOM 646 CG2 VAL 41 -17.613 33.701 0.503 1.00 73.54 ATOM 647 HG21 VAL 41 -17.480 33.131 -0.398 1.00 33.30 ATOM 648 HG22 VAL 41 -18.655 33.970 0.605 1.00 63.42 ATOM 649 HG23 VAL 41 -17.319 33.105 1.355 1.00 34.24 ATOM 650 C VAL 41 -14.451 35.890 0.397 1.00 34.24 ATOM 651 O VAL 41 -14.268 36.574 -0.608 1.00 53.14 ATOM 652 N ASN 42 -13.957 36.209 1.589 1.00 34.23 ATOM 653 HN ASN 42 -14.141 35.633 2.366 1.00 38.44 ATOM 654 CA ASN 42 -13.154 37.410 1.787 1.00 22.32 ATOM 655 HA ASN 42 -13.658 38.241 1.304 1.00 42.22 ATOM 656 CB ASN 42 -13.005 37.708 3.280 1.00 3.53 ATOM 657 HB1 ASN 42 -12.077 38.240 3.456 1.00 38.44 ATOM 658 HB2 ASN 42 -12.982 36.792 3.833 1.00 71.43 ATOM 659 CG ASN 42 -14.132 38.571 3.813 1.00 55.33 ATOM 660 OD1 ASN 42 -13.901 39.529 4.551 1.00 21.32 ATOM 661 ND2 ASN 42 -15.362 38.235 3.439 1.00 24.11 ATOM 662 HD21 ASN 42 -15.509 37.465 2.859 1.00 23.32 ATOM 663 HD22 ASN 42 -16.097 38.792 3.771 1.00 13.12 ATOM 664 C ASN 42 -11.777 37.254 1.148 1.00 11.33 ATOM 665 O ASN 42 -11.340 38.106 0.373 1.00 14.32 ATOM 666 N LEU 43 -11.098 36.161 1.478 1.00 51.20 ATOM 667 HN LEU 43 -11.501 35.515 2.107 1.00 38.44 ATOM 668 CA LEU 43 -9.770 35.893 0.936 1.00 35.32 ATOM 669 HA LEU 43 -9.131 36.693 1.268 1.00 44.41 ATOM 670 CB LEU 43 -9.247 34.553 1.457 1.00 3.33 ATOM 671 HB1 LEU 43 -8.522 34.157 0.756 1.00 38.44 ATOM 672 HB2 LEU 43 -10.076 33.863 1.484 1.00 31.40 ATOM 673 CG LEU 43 -8.593 34.580 2.839 1.00 33.04 ATOM 674 HG LEU 43 -9.281 35.019 3.539 1.00 41.02 ATOM 675 CD1 LEU 43 -8.271 33.169 3.305 1.00 62.52 ATOM 676 HD11 LEU 43 -7.937 33.197 4.332 1.00 72.41 ATOM 677 HD12 LEU 43 -7.490 32.749 2.685 1.00 32.52 ATOM 678 HD13 LEU 43 -9.152 32.548 3.232 1.00 24.21 ATOM 679 CD2 LEU 43 -7.336 35.437 2.819 1.00 70.05 ATOM 680 HD21 LEU 43 -6.609 35.005 2.147 1.00 0.01 ATOM 681 HD22 LEU 43 -6.916 35.477 3.815 1.00 31.23 ATOM 682 HD23 LEU 43 -7.570 36.439 2.500 1.00 5.20 ATOM 683 C LEU 43 -9.797 35.883 -0.589 1.00 25.01 ATOM 684 O LEU 43 -10.841 35.702 -1.215 1.00 41.23 ATOM 685 N PRO 44 -8.620 36.080 -1.202 1.00 71.13 ATOM 686 CA PRO 44 -8.481 36.095 -2.662 1.00 10.44 ATOM 687 HA PRO 44 -9.166 36.795 -3.119 1.00 34.42 ATOM 688 CB PRO 44 -7.042 36.572 -2.876 1.00 31.43 ATOM 689 HB1 PRO 44 -7.038 37.644 -3.008 1.00 38.44 ATOM 690 HB2 PRO 44 -6.604 36.101 -3.748 1.00 73.34 ATOM 691 CG PRO 44 -6.326 36.186 -1.628 1.00 1.45 ATOM 692 HG1 PRO 44 -5.491 36.848 -1.455 1.00 38.44 ATOM 693 HG2 PRO 44 -5.999 35.185 -1.732 1.00 14.42 ATOM 694 CD PRO 44 -7.335 36.302 -0.519 1.00 21.14 ATOM 695 HD1 PRO 44 -7.298 37.286 -0.075 1.00 38.44 ATOM 696 HD2 PRO 44 -7.145 35.558 0.209 1.00 63.04 ATOM 697 C PRO 44 -8.683 34.715 -3.278 1.00 3.32 ATOM 698 O PRO 44 -8.832 33.722 -2.566 1.00 4.12 ATOM 699 N VAL 45 -8.686 34.660 -4.606 1.00 31.00 ATOM 700 HN VAL 45 -8.568 35.493 -5.120 1.00 38.44 ATOM 701 CA VAL 45 -8.868 33.401 -5.318 1.00 62.22 ATOM 702 HA VAL 45 -9.737 32.901 -4.902 1.00 62.03 ATOM 703 CB VAL 45 -9.117 33.636 -6.820 1.00 14.42 ATOM 704 HB VAL 45 -9.927 34.344 -6.924 1.00 31.31 ATOM 705 CG1 VAL 45 -7.882 34.228 -7.480 1.00 44.32 ATOM 706 HG11 VAL 45 -7.545 35.095 -6.930 1.00 41.42 ATOM 707 HG12 VAL 45 -8.132 34.528 -8.487 1.00 43.51 ATOM 708 HG13 VAL 45 -7.087 33.496 -7.519 1.00 70.32 ATOM 709 CG2 VAL 45 -9.527 32.339 -7.501 1.00 43.42 ATOM 710 HG21 VAL 45 -10.276 31.832 -6.915 1.00 2.34 ATOM 711 HG22 VAL 45 -8.667 31.691 -7.607 1.00 13.22 ATOM 712 HG23 VAL 45 -9.928 32.561 -8.479 1.00 24.11 ATOM 713 C VAL 45 -7.653 32.495 -5.152 1.00 42.11 ATOM 714 O VAL 45 -7.762 31.271 -5.231 1.00 54.41 ATOM 715 N ASP 46 -6.495 33.104 -4.921 1.00 51.32 ATOM 716 HN ASP 46 -6.458 34.087 -4.874 1.00 38.44 ATOM 717 CA ASP 46 -5.258 32.353 -4.742 1.00 32.11 ATOM 718 HA ASP 46 -5.250 31.543 -5.465 1.00 71.42 ATOM 719 CB ASP 46 -4.048 33.256 -4.986 1.00 20.14 ATOM 720 HB1 ASP 46 -3.762 33.770 -4.079 1.00 38.44 ATOM 721 HB2 ASP 46 -4.305 33.994 -5.734 1.00 1.33 ATOM 722 CG ASP 46 -2.846 32.487 -5.497 1.00 43.13 ATOM 723 OD1 ASP 46 -2.672 32.410 -6.732 1.00 4.32 ATOM 724 OD2 ASP 46 -2.078 31.963 -4.663 1.00 73.04 ATOM 725 C ASP 46 -5.186 31.751 -3.342 1.00 1.20 ATOM 726 O ASP 46 -5.145 30.531 -3.181 1.00 51.32 ATOM 727 N ASP 47 -5.169 32.615 -2.333 1.00 32.23 ATOM 728 HN ASP 47 -5.212 33.574 -2.529 1.00 38.44 ATOM 729 CA ASP 47 -5.102 32.169 -0.946 1.00 24.11 ATOM 730 HA ASP 47 -4.145 31.689 -0.796 1.00 50.23 ATOM 731 CB ASP 47 -5.213 33.364 0.002 1.00 20.34 ATOM 732 HB1 ASP 47 -5.154 33.013 1.024 1.00 38.44 ATOM 733 HB2 ASP 47 -6.159 33.844 -0.148 1.00 3.21 ATOM 734 CG ASP 47 -4.106 34.378 -0.211 1.00 73.45 ATOM 735 OD1 ASP 47 -4.234 35.512 0.296 1.00 72.13 ATOM 736 OD2 ASP 47 -3.112 34.037 -0.885 1.00 60.33 ATOM 737 C ASP 47 -6.206 31.160 -0.645 1.00 1.20 ATOM 738 O ASP 47 -6.045 30.282 0.202 1.00 24.25 ATOM 739 N PHE 48 -7.328 31.293 -1.344 1.00 52.20 ATOM 740 HN PHE 48 -7.427 32.038 -1.979 1.00 38.44 ATOM 741 CA PHE 48 -8.460 30.395 -1.150 1.00 75.14 ATOM 742 HA PHE 48 -8.673 30.339 -0.090 1.00 21.20 ATOM 743 CB PHE 48 -9.697 30.937 -1.870 1.00 35.34 ATOM 744 HB1 PHE 48 -9.428 31.181 -2.890 1.00 38.44 ATOM 745 HB2 PHE 48 -10.027 31.835 -1.367 1.00 32.34 ATOM 746 CG PHE 48 -10.850 29.973 -1.889 1.00 3.52 ATOM 747 CD1 PHE 48 -11.448 29.612 -3.085 1.00 52.30 ATOM 748 HD1 PHE 48 -11.080 30.027 -4.013 1.00 22.44 ATOM 749 CD2 PHE 48 -11.335 29.430 -0.710 1.00 62.43 ATOM 750 HD2 PHE 48 -10.878 29.701 0.232 1.00 4.25 ATOM 751 CE1 PHE 48 -12.509 28.726 -3.106 1.00 65.23 ATOM 752 HE1 PHE 48 -12.967 28.453 -4.045 1.00 10.42 ATOM 753 CE2 PHE 48 -12.394 28.542 -0.725 1.00 55.53 ATOM 754 HE2 PHE 48 -12.749 28.139 0.191 1.00 23.00 ATOM 755 CZ PHE 48 -12.983 28.191 -1.925 1.00 2.14 ATOM 756 HZ PHE 48 -13.812 27.499 -1.939 1.00 24.11 ATOM 757 C PHE 48 -8.136 28.993 -1.659 1.00 2.32 ATOM 758 O PHE 48 -8.290 28.009 -0.937 1.00 61.24 ATOM 759 N ASN 49 -7.686 28.912 -2.907 1.00 0.42 ATOM 760 HN ASN 49 -7.584 29.739 -3.437 1.00 38.44 ATOM 761 CA ASN 49 -7.340 27.632 -3.513 1.00 75.13 ATOM 762 HA ASN 49 -8.231 27.017 -3.532 1.00 41.00 ATOM 763 CB ASN 49 -6.842 27.840 -4.945 1.00 20.02 ATOM 764 HB1 ASN 49 -6.384 26.927 -5.308 1.00 38.44 ATOM 765 HB2 ASN 49 -6.104 28.630 -4.949 1.00 72.15 ATOM 766 CG ASN 49 -7.961 28.213 -5.898 1.00 62.12 ATOM 767 OD1 ASN 49 -9.100 27.775 -5.738 1.00 20.43 ATOM 768 ND2 ASN 49 -7.640 29.026 -6.898 1.00 3.24 ATOM 769 HD21 ASN 49 -6.712 29.345 -6.977 1.00 71.22 ATOM 770 HD22 ASN 49 -8.349 29.279 -7.525 1.00 60.04 ATOM 771 C ASN 49 -6.276 26.911 -2.692 1.00 71.40 ATOM 772 O ASN 49 -6.255 25.682 -2.628 1.00 70.01 ATOM 773 N GLU 50 -5.395 27.684 -2.065 1.00 50.02 ATOM 774 HN GLU 50 -5.448 28.664 -2.155 1.00 38.44 ATOM 775 CA GLU 50 -4.328 27.118 -1.248 1.00 40.12 ATOM 776 HA GLU 50 -4.011 26.180 -1.692 1.00 50.32 ATOM 777 CB GLU 50 -3.131 28.071 -1.201 1.00 74.35 ATOM 778 HB1 GLU 50 -2.474 27.777 -0.389 1.00 38.44 ATOM 779 HB2 GLU 50 -3.488 29.074 -1.015 1.00 64.12 ATOM 780 CG GLU 50 -2.316 28.087 -2.484 1.00 11.24 ATOM 781 HG1 GLU 50 -2.906 28.545 -3.264 1.00 38.44 ATOM 782 HG2 GLU 50 -2.078 27.070 -2.764 1.00 71.11 ATOM 783 CD GLU 50 -1.019 28.859 -2.340 1.00 23.21 ATOM 784 OE1 GLU 50 -0.049 28.527 -3.054 1.00 74.52 ATOM 785 OE2 GLU 50 -0.972 29.794 -1.514 1.00 31.01 ATOM 786 C GLU 50 -4.820 26.832 0.168 1.00 51.33 ATOM 787 O GLU 50 -4.285 25.965 0.860 1.00 54.11 ATOM 788 N LEU 51 -5.842 27.568 0.592 1.00 23.31 ATOM 789 HN LEU 51 -6.207 28.270 0.017 1.00 38.44 ATOM 790 CA LEU 51 -6.407 27.395 1.926 1.00 70.22 ATOM 791 HA LEU 51 -5.612 27.503 2.646 1.00 33.52 ATOM 792 CB LEU 51 -7.456 28.473 2.200 1.00 13.52 ATOM 793 HB1 LEU 51 -8.197 28.415 1.418 1.00 38.44 ATOM 794 HB2 LEU 51 -6.974 29.436 2.136 1.00 55.12 ATOM 795 CG LEU 51 -8.171 28.386 3.549 1.00 55.51 ATOM 796 HG LEU 51 -8.466 27.369 3.748 1.00 51.22 ATOM 797 CD1 LEU 51 -7.247 28.828 4.673 1.00 62.42 ATOM 798 HD11 LEU 51 -6.366 28.201 4.685 1.00 1.22 ATOM 799 HD12 LEU 51 -7.760 28.738 5.621 1.00 72.23 ATOM 800 HD13 LEU 51 -6.952 29.858 4.521 1.00 33.42 ATOM 801 CD2 LEU 51 -9.438 29.229 3.536 1.00 14.42 ATOM 802 HD21 LEU 51 -10.095 28.883 2.750 1.00 20.52 ATOM 803 HD22 LEU 51 -9.186 30.266 3.362 1.00 70.15 ATOM 804 HD23 LEU 51 -9.944 29.138 4.488 1.00 62.21 ATOM 805 C LEU 51 -7.032 26.011 2.077 1.00 5.53 ATOM 806 O LEU 51 -7.106 25.469 3.181 1.00 43.51 ATOM 807 N LEU 52 -7.478 25.444 0.962 1.00 4.20 ATOM 808 HN LEU 52 -7.415 25.927 0.106 1.00 38.44 ATOM 809 CA LEU 52 -8.094 24.122 0.970 1.00 61.02 ATOM 810 HA LEU 52 -8.850 24.123 1.727 1.00 61.21 ATOM 811 CB LEU 52 -8.746 23.834 -0.383 1.00 74.24 ATOM 812 HB1 LEU 52 -9.058 22.804 -0.398 1.00 38.44 ATOM 813 HB2 LEU 52 -7.987 23.967 -1.144 1.00 31.43 ATOM 814 CG LEU 52 -9.951 24.703 -0.747 1.00 2.14 ATOM 815 HG LEU 52 -9.696 25.743 -0.598 1.00 35.11 ATOM 816 CD1 LEU 52 -10.321 24.518 -2.210 1.00 30.31 ATOM 817 HD11 LEU 52 -10.591 23.486 -2.391 1.00 74.24 ATOM 818 HD12 LEU 52 -9.478 24.783 -2.833 1.00 64.33 ATOM 819 HD13 LEU 52 -11.158 25.156 -2.456 1.00 2.01 ATOM 820 CD2 LEU 52 -11.135 24.375 0.151 1.00 52.11 ATOM 821 HD21 LEU 52 -11.339 23.313 0.119 1.00 44.43 ATOM 822 HD22 LEU 52 -11.997 24.911 -0.202 1.00 32.24 ATOM 823 HD23 LEU 52 -10.913 24.671 1.165 1.00 72.12 ATOM 824 C LEU 52 -7.064 23.043 1.291 1.00 55.22 ATOM 825 O LEU 52 -7.335 22.124 2.063 1.00 64.43 ATOM 826 N ALA 53 -5.883 23.164 0.695 1.00 61.14 ATOM 827 HN ALA 53 -5.719 23.922 0.085 1.00 38.44 ATOM 828 CA ALA 53 -4.811 22.202 0.920 1.00 35.24 ATOM 829 HA ALA 53 -5.248 21.217 1.043 1.00 15.21 ATOM 830 CB ALA 53 -3.888 22.148 -0.287 1.00 64.43 ATOM 831 HB1 ALA 53 -3.413 23.109 -0.426 1.00 2.14 ATOM 832 HB2 ALA 53 -4.465 21.905 -1.167 1.00 15.22 ATOM 833 HB3 ALA 53 -3.132 21.390 -0.134 1.00 41.53 ATOM 834 C ALA 53 -4.021 22.545 2.178 1.00 11.44 ATOM 835 O ALA 53 -3.400 21.676 2.789 1.00 22.34 ATOM 836 N ARG 54 -4.049 23.818 2.560 1.00 45.24 ATOM 837 HN ARG 54 -4.551 24.477 2.029 1.00 38.44 ATOM 838 CA ARG 54 -3.333 24.277 3.744 1.00 23.41 ATOM 839 HA ARG 54 -2.304 23.942 3.668 1.00 10.40 ATOM 840 CB ARG 54 -3.364 25.804 3.826 1.00 62.13 ATOM 841 HB1 ARG 54 -3.351 26.108 4.868 1.00 38.44 ATOM 842 HB2 ARG 54 -4.273 26.163 3.376 1.00 11.03 ATOM 843 CG ARG 54 -2.190 26.475 3.132 1.00 62.02 ATOM 844 HG1 ARG 54 -2.242 26.279 2.074 1.00 38.44 ATOM 845 HG2 ARG 54 -1.270 26.069 3.527 1.00 72.25 ATOM 846 CD ARG 54 -2.193 27.978 3.360 1.00 1.42 ATOM 847 HD1 ARG 54 -2.326 28.164 4.420 1.00 38.44 ATOM 848 HD2 ARG 54 -3.017 28.412 2.812 1.00 71.01 ATOM 849 NE ARG 54 -0.948 28.602 2.919 1.00 22.44 ATOM 850 HE ARG 54 -0.345 28.074 2.345 1.00 73.20 ATOM 851 CZ ARG 54 -0.590 29.839 3.245 1.00 61.33 ATOM 852 NH1 ARG 54 -1.378 30.581 4.010 1.00 31.10 ATOM 853 HH11 ARG 54 -2.248 30.237 4.353 1.00 61.32 ATOM 854 HH12 ARG 54 -1.096 31.512 4.252 1.00 63.25 ATOM 855 NH2 ARG 54 0.559 30.336 2.805 1.00 61.43 ATOM 856 HH21 ARG 54 1.159 29.780 2.226 1.00 41.02 ATOM 857 HH22 ARG 54 0.831 31.269 3.049 1.00 75.41 ATOM 858 C ARG 54 -3.937 23.676 5.010 1.00 4.55 ATOM 859 O ARG 54 -3.219 23.334 5.951 1.00 50.24 ATOM 860 N TYR 55 -5.259 23.553 5.028 1.00 60.44 ATOM 861 HN TYR 55 -5.791 23.843 4.251 1.00 38.44 ATOM 862 CA TYR 55 -5.960 22.997 6.179 1.00 23.22 ATOM 863 HA TYR 55 -5.292 23.035 7.032 1.00 42.13 ATOM 864 CB TYR 55 -7.205 23.827 6.494 1.00 75.32 ATOM 865 HB1 TYR 55 -7.906 23.242 7.076 1.00 38.44 ATOM 866 HB2 TYR 55 -7.684 24.103 5.563 1.00 43.32 ATOM 867 CG TYR 55 -6.908 25.102 7.249 1.00 14.41 ATOM 868 CD1 TYR 55 -7.286 25.250 8.578 1.00 15.00 ATOM 869 HD1 TYR 55 -7.784 24.437 9.075 1.00 2.22 ATOM 870 CD2 TYR 55 -6.251 26.160 6.634 1.00 43.41 ATOM 871 HD2 TYR 55 -5.949 26.066 5.600 1.00 54.53 ATOM 872 CE1 TYR 55 -7.018 26.414 9.272 1.00 21.01 ATOM 873 HE1 TYR 55 -7.320 26.509 10.305 1.00 55.13 ATOM 874 CE2 TYR 55 -5.977 27.327 7.321 1.00 43.35 ATOM 875 HE2 TYR 55 -5.463 28.137 6.825 1.00 42.40 ATOM 876 CZ TYR 55 -6.362 27.449 8.639 1.00 14.41 ATOM 877 OH TYR 55 -6.092 28.611 9.326 1.00 35.21 ATOM 878 HH TYR 55 -6.677 29.313 9.024 1.00 23.13 ATOM 879 C TYR 55 -6.352 21.544 5.929 1.00 55.12 ATOM 880 O TYR 55 -6.455 21.089 4.789 1.00 3.13 ATOM 881 N PRO 56 -6.579 20.797 7.020 1.00 40.24 ATOM 882 CA PRO 56 -6.965 19.385 6.946 1.00 55.01 ATOM 883 HA PRO 56 -6.272 18.815 6.344 1.00 3.03 ATOM 884 CB PRO 56 -6.884 18.919 8.402 1.00 74.45 ATOM 885 HB1 PRO 56 -5.906 18.500 8.584 1.00 38.44 ATOM 886 HB2 PRO 56 -7.636 18.171 8.620 1.00 73.54 ATOM 887 CG PRO 56 -7.086 20.155 9.207 1.00 11.24 ATOM 888 HG1 PRO 56 -6.586 20.059 10.159 1.00 38.44 ATOM 889 HG2 PRO 56 -8.142 20.330 9.352 1.00 20.31 ATOM 890 CD PRO 56 -6.476 21.274 8.409 1.00 23.21 ATOM 891 HD1 PRO 56 -5.443 21.417 8.692 1.00 38.44 ATOM 892 HD2 PRO 56 -7.036 22.175 8.567 1.00 74.23 ATOM 893 C PRO 56 -8.379 19.198 6.405 1.00 42.44 ATOM 894 O PRO 56 -9.322 18.980 7.166 1.00 73.22 ATOM 895 N LEU 57 -8.519 19.285 5.086 1.00 3.35 ATOM 896 HN LEU 57 -7.731 19.456 4.521 1.00 38.44 ATOM 897 CA LEU 57 -9.818 19.125 4.443 1.00 40.32 ATOM 898 HA LEU 57 -10.575 19.020 5.200 1.00 51.12 ATOM 899 CB LEU 57 -10.149 20.360 3.603 1.00 43.31 ATOM 900 HB1 LEU 57 -11.150 20.245 3.208 1.00 38.44 ATOM 901 HB2 LEU 57 -9.451 20.402 2.781 1.00 65.31 ATOM 902 CG LEU 57 -10.070 21.705 4.327 1.00 74.22 ATOM 903 HG LEU 57 -9.049 21.883 4.631 1.00 33.44 ATOM 904 CD1 LEU 57 -10.487 22.836 3.399 1.00 35.53 ATOM 905 HD11 LEU 57 -10.268 23.785 3.862 1.00 40.22 ATOM 906 HD12 LEU 57 -11.545 22.767 3.197 1.00 75.53 ATOM 907 HD13 LEU 57 -9.949 22.754 2.472 1.00 4.40 ATOM 908 CD2 LEU 57 -10.939 21.689 5.576 1.00 12.40 ATOM 909 HD21 LEU 57 -10.569 20.950 6.271 1.00 33.43 ATOM 910 HD22 LEU 57 -11.959 21.453 5.309 1.00 41.25 ATOM 911 HD23 LEU 57 -10.912 22.662 6.050 1.00 10.44 ATOM 912 C LEU 57 -9.841 17.878 3.565 1.00 42.22 ATOM 913 O LEU 57 -8.885 17.597 2.842 1.00 64.45 ATOM 914 N THR 58 -10.940 17.134 3.631 1.00 34.11 ATOM 915 HN THR 58 -11.660 17.387 4.243 1.00 38.44 ATOM 916 CA THR 58 -11.089 15.918 2.842 1.00 62.40 ATOM 917 HA THR 58 -10.111 15.584 2.509 1.00 25.50 ATOM 918 CB THR 58 -11.719 14.783 3.671 1.00 13.25 ATOM 919 HB THR 58 -11.937 13.942 3.024 1.00 20.44 ATOM 920 OG1 THR 58 -12.936 15.236 4.276 1.00 41.11 ATOM 921 HG1 THR 58 -13.690 14.876 3.802 1.00 52.23 ATOM 922 CG2 THR 58 -10.759 14.303 4.750 1.00 55.33 ATOM 923 HG21 THR 58 -10.519 15.122 5.413 1.00 45.54 ATOM 924 HG22 THR 58 -9.853 13.933 4.291 1.00 15.43 ATOM 925 HG23 THR 58 -11.224 13.509 5.316 1.00 63.35 ATOM 926 C THR 58 -11.946 16.165 1.606 1.00 13.22 ATOM 927 O THR 58 -12.494 17.253 1.428 1.00 64.33 ATOM 928 N GLU 59 -12.059 15.149 0.756 1.00 11.14 ATOM 929 HN GLU 59 -11.582 14.306 0.944 1.00 38.44 ATOM 930 CA GLU 59 -12.851 15.258 -0.463 1.00 41.41 ATOM 931 HA GLU 59 -12.377 15.993 -1.101 1.00 32.34 ATOM 932 CB GLU 59 -12.904 13.911 -1.185 1.00 73.45 ATOM 933 HB1 GLU 59 -13.865 13.808 -1.680 1.00 38.44 ATOM 934 HB2 GLU 59 -12.804 13.114 -0.460 1.00 15.42 ATOM 935 CG GLU 59 -11.814 13.736 -2.230 1.00 15.12 ATOM 936 HG1 GLU 59 -10.910 13.415 -1.734 1.00 38.44 ATOM 937 HG2 GLU 59 -11.635 14.682 -2.725 1.00 73.41 ATOM 938 CD GLU 59 -12.176 12.708 -3.284 1.00 51.23 ATOM 939 OE1 GLU 59 -12.355 11.526 -2.925 1.00 24.13 ATOM 940 OE2 GLU 59 -12.281 13.087 -4.470 1.00 1.12 ATOM 941 C GLU 59 -14.266 15.737 -0.152 1.00 0.40 ATOM 942 O GLU 59 -14.910 16.382 -0.979 1.00 55.11 ATOM 943 N SER 60 -14.743 15.417 1.047 1.00 62.34 ATOM 944 HN SER 60 -14.209 14.864 1.659 1.00 38.44 ATOM 945 CA SER 60 -16.083 15.810 1.466 1.00 22.24 ATOM 946 HA SER 60 -16.752 15.713 0.619 1.00 11.05 ATOM 947 CB SER 60 -16.579 14.892 2.585 1.00 13.45 ATOM 948 HB1 SER 60 -16.590 13.872 2.228 1.00 38.44 ATOM 949 HB2 SER 60 -17.580 15.179 2.876 1.00 44.53 ATOM 950 OG SER 60 -15.732 14.966 3.719 1.00 13.41 ATOM 951 HG SER 60 -15.960 15.737 4.244 1.00 14.55 ATOM 952 C SER 60 -16.101 17.261 1.937 1.00 23.13 ATOM 953 O SER 60 -17.052 17.997 1.676 1.00 23.00 ATOM 954 N GLN 61 -15.042 17.664 2.633 1.00 72.22 ATOM 955 HN GLN 61 -14.310 17.030 2.820 1.00 38.44 ATOM 956 CA GLN 61 -14.936 19.026 3.141 1.00 12.31 ATOM 957 HA GLN 61 -15.874 19.287 3.617 1.00 4.51 ATOM 958 CB GLN 61 -13.818 19.120 4.181 1.00 34.42 ATOM 959 HB1 GLN 61 -13.756 20.146 4.525 1.00 38.44 ATOM 960 HB2 GLN 61 -12.886 18.855 3.712 1.00 33.20 ATOM 961 CG GLN 61 -14.032 18.217 5.386 1.00 3.40 ATOM 962 HG1 GLN 61 -13.618 17.253 5.170 1.00 38.44 ATOM 963 HG2 GLN 61 -15.086 18.111 5.576 1.00 31.42 ATOM 964 CD GLN 61 -13.367 18.751 6.640 1.00 64.25 ATOM 965 OE1 GLN 61 -12.160 18.594 6.831 1.00 34.20 ATOM 966 NE2 GLN 61 -14.151 19.386 7.502 1.00 54.11 ATOM 967 HE21 GLN 61 -15.109 19.483 7.298 1.00 44.42 ATOM 968 HE22 GLN 61 -13.739 19.738 8.318 1.00 52.33 ATOM 969 C GLN 61 -14.675 20.012 2.007 1.00 62.32 ATOM 970 O GLN 61 -15.405 20.990 1.839 1.00 23.34 ATOM 971 N LEU 62 -13.630 19.748 1.230 1.00 3.43 ATOM 972 HN LEU 62 -13.089 18.947 1.412 1.00 38.44 ATOM 973 CA LEU 62 -13.271 20.613 0.111 1.00 73.51 ATOM 974 HA LEU 62 -12.948 21.563 0.514 1.00 61.03 ATOM 975 CB LEU 62 -12.128 19.991 -0.693 1.00 3.11 ATOM 976 HB1 LEU 62 -12.157 20.415 -1.693 1.00 38.44 ATOM 977 HB2 LEU 62 -12.320 18.928 -0.786 1.00 42.32 ATOM 978 CG LEU 62 -10.721 20.201 -0.131 1.00 71.31 ATOM 979 HG LEU 62 -10.711 21.072 0.512 1.00 35.50 ATOM 980 CD1 LEU 62 -10.297 19.004 0.705 1.00 25.33 ATOM 981 HD11 LEU 62 -10.327 18.106 0.102 1.00 62.13 ATOM 982 HD12 LEU 62 -10.968 18.905 1.526 1.00 22.43 ATOM 983 HD13 LEU 62 -9.293 19.156 1.071 1.00 10.13 ATOM 984 CD2 LEU 62 -9.728 20.446 -1.258 1.00 21.33 ATOM 985 HD21 LEU 62 -9.698 19.586 -1.913 1.00 74.32 ATOM 986 HD22 LEU 62 -8.744 20.616 -0.844 1.00 10.43 ATOM 987 HD23 LEU 62 -10.030 21.317 -1.824 1.00 3.23 ATOM 988 C LEU 62 -14.473 20.855 -0.797 1.00 31.43 ATOM 989 O LEU 62 -14.641 21.944 -1.343 1.00 51.41 ATOM 990 N ALA 63 -15.307 19.832 -0.951 1.00 33.42 ATOM 991 HN ALA 63 -15.112 18.972 -0.510 1.00 38.44 ATOM 992 CA ALA 63 -16.496 19.935 -1.788 1.00 62.43 ATOM 993 HA ALA 63 -16.183 20.182 -2.793 1.00 34.34 ATOM 994 CB ALA 63 -17.222 18.599 -1.840 1.00 70.44 ATOM 995 HB1 ALA 63 -18.069 18.670 -2.509 1.00 33.44 ATOM 996 HB2 ALA 63 -17.565 18.332 -0.850 1.00 43.15 ATOM 997 HB3 ALA 63 -16.545 17.838 -2.200 1.00 21.31 ATOM 998 C ALA 63 -17.431 21.028 -1.282 1.00 61.33 ATOM 999 O ALA 63 -18.060 21.735 -2.071 1.00 32.34 ATOM 1000 N LEU 64 -17.518 21.161 0.036 1.00 15.15 ATOM 1001 HN LEU 64 -16.999 20.564 0.623 1.00 38.44 ATOM 1002 CA LEU 64 -18.378 22.169 0.648 1.00 31.42 ATOM 1003 HA LEU 64 -19.313 22.202 0.101 1.00 72.34 ATOM 1004 CB LEU 64 -18.678 21.797 2.102 1.00 44.34 ATOM 1005 HB1 LEU 64 -17.725 21.683 2.602 1.00 38.44 ATOM 1006 HB2 LEU 64 -19.164 20.828 2.100 1.00 52.14 ATOM 1007 CG LEU 64 -19.539 22.790 2.884 1.00 23.40 ATOM 1008 HG LEU 64 -19.492 23.769 2.434 1.00 24.43 ATOM 1009 CD1 LEU 64 -20.998 22.362 2.863 1.00 51.40 ATOM 1010 HD11 LEU 64 -21.195 21.634 3.639 1.00 30.34 ATOM 1011 HD12 LEU 64 -21.245 21.930 1.901 1.00 64.45 ATOM 1012 HD13 LEU 64 -21.606 23.221 3.014 1.00 32.03 ATOM 1013 CD2 LEU 64 -19.039 22.916 4.316 1.00 42.43 ATOM 1014 HD21 LEU 64 -19.507 22.187 4.938 1.00 11.23 ATOM 1015 HD22 LEU 64 -19.292 23.898 4.686 1.00 25.55 ATOM 1016 HD23 LEU 64 -17.964 22.795 4.362 1.00 61.13 ATOM 1017 C LEU 64 -17.729 23.548 0.587 1.00 34.30 ATOM 1018 O LEU 64 -18.355 24.521 0.167 1.00 3.51 ATOM 1019 N VAL 65 -16.470 23.623 1.007 1.00 53.01 ATOM 1020 HN VAL 65 -16.025 22.801 1.314 1.00 38.44 ATOM 1021 CA VAL 65 -15.735 24.882 0.997 1.00 51.02 ATOM 1022 HA VAL 65 -16.186 25.535 1.720 1.00 22.03 ATOM 1023 CB VAL 65 -14.259 24.673 1.385 1.00 13.31 ATOM 1024 HB VAL 65 -13.785 24.089 0.611 1.00 73.13 ATOM 1025 CG1 VAL 65 -13.542 26.010 1.496 1.00 60.01 ATOM 1026 HG11 VAL 65 -13.440 26.423 0.516 1.00 40.31 ATOM 1027 HG12 VAL 65 -12.561 25.872 1.928 1.00 62.40 ATOM 1028 HG13 VAL 65 -14.107 26.681 2.114 1.00 54.22 ATOM 1029 CG2 VAL 65 -14.157 23.894 2.688 1.00 43.14 ATOM 1030 HG21 VAL 65 -13.198 24.069 3.148 1.00 50.53 ATOM 1031 HG22 VAL 65 -14.252 22.847 2.486 1.00 41.41 ATOM 1032 HG23 VAL 65 -14.937 24.202 3.373 1.00 43.52 ATOM 1033 C VAL 65 -15.800 25.545 -0.375 1.00 5.15 ATOM 1034 O VAL 65 -15.771 26.771 -0.485 1.00 33.15 ATOM 1035 N ARG 66 -15.887 24.727 -1.418 1.00 23.51 ATOM 1036 HN ARG 66 -15.864 23.752 -1.282 1.00 38.44 ATOM 1037 CA ARG 66 -15.955 25.234 -2.783 1.00 65.41 ATOM 1038 HA ARG 66 -15.168 25.969 -2.913 1.00 33.35 ATOM 1039 CB ARG 66 -15.747 24.095 -3.784 1.00 0.04 ATOM 1040 HB1 ARG 66 -16.180 24.378 -4.739 1.00 38.44 ATOM 1041 HB2 ARG 66 -16.253 23.210 -3.423 1.00 23.05 ATOM 1042 CG ARG 66 -14.286 23.745 -4.014 1.00 2.50 ATOM 1043 HG1 ARG 66 -13.899 23.242 -3.146 1.00 38.44 ATOM 1044 HG2 ARG 66 -13.726 24.656 -4.180 1.00 63.43 ATOM 1045 CD ARG 66 -14.113 22.848 -5.229 1.00 63.41 ATOM 1046 HD1 ARG 66 -13.079 22.894 -5.541 1.00 38.44 ATOM 1047 HD2 ARG 66 -14.742 23.205 -6.036 1.00 74.13 ATOM 1048 NE ARG 66 -14.452 21.458 -4.936 1.00 34.15 ATOM 1049 HE ARG 66 -14.718 21.233 -4.015 1.00 24.13 ATOM 1050 CZ ARG 66 -14.418 20.486 -5.840 1.00 42.04 ATOM 1051 NH1 ARG 66 -14.060 20.751 -7.089 1.00 60.13 ATOM 1052 HH11 ARG 66 -13.811 21.676 -7.373 1.00 0.30 ATOM 1053 HH12 ARG 66 -14.037 20.012 -7.766 1.00 45.05 ATOM 1054 NH2 ARG 66 -14.741 19.246 -5.497 1.00 21.25 ATOM 1055 HH21 ARG 66 -15.012 19.038 -4.555 1.00 1.31 ATOM 1056 HH22 ARG 66 -14.716 18.512 -6.178 1.00 43.31 ATOM 1057 C ARG 66 -17.294 25.916 -3.044 1.00 12.13 ATOM 1058 O ARG 66 -17.349 26.987 -3.649 1.00 74.30 ATOM 1059 N ASP 67 -18.371 25.289 -2.583 1.00 40.12 ATOM 1060 HN ASP 67 -18.267 24.429 -2.110 1.00 38.44 ATOM 1061 CA ASP 67 -19.711 25.836 -2.766 1.00 24.23 ATOM 1062 HA ASP 67 -19.838 26.056 -3.821 1.00 21.45 ATOM 1063 CB ASP 67 -20.764 24.815 -2.333 1.00 13.22 ATOM 1064 HB1 ASP 67 -20.952 24.901 -1.270 1.00 38.44 ATOM 1065 HB2 ASP 67 -20.397 23.818 -2.541 1.00 73.52 ATOM 1066 CG ASP 67 -22.078 24.992 -3.068 1.00 52.32 ATOM 1067 OD1 ASP 67 -22.511 24.038 -3.748 1.00 52.22 ATOM 1068 OD2 ASP 67 -22.674 26.085 -2.963 1.00 61.51 ATOM 1069 C ASP 67 -19.882 27.129 -1.975 1.00 51.11 ATOM 1070 O ASP 67 -20.455 28.100 -2.471 1.00 31.41 ATOM 1071 N ILE 68 -19.383 27.134 -0.744 1.00 1.33 ATOM 1072 HN ILE 68 -18.920 26.332 -0.414 1.00 38.44 ATOM 1073 CA ILE 68 -19.481 28.308 0.115 1.00 52.11 ATOM 1074 HA ILE 68 -20.525 28.453 0.362 1.00 24.14 ATOM 1075 CB ILE 68 -18.691 28.116 1.423 1.00 13.41 ATOM 1076 HB ILE 68 -17.649 27.966 1.168 1.00 41.15 ATOM 1077 CG1 ILE 68 -19.207 26.892 2.181 1.00 33.51 ATOM 1078 HG11 ILE 68 -19.419 26.086 1.506 1.00 38.44 ATOM 1079 HG12 ILE 68 -20.122 27.149 2.698 1.00 4.43 ATOM 1080 CG2 ILE 68 -18.791 29.363 2.289 1.00 21.05 ATOM 1081 HG21 ILE 68 -18.174 30.146 1.874 1.00 13.12 ATOM 1082 HG22 ILE 68 -18.450 29.143 3.291 1.00 35.43 ATOM 1083 HG23 ILE 68 -19.818 29.702 2.333 1.00 23.30 ATOM 1084 CD1 ILE 68 -18.236 26.368 3.215 1.00 22.45 ATOM 1085 HD11 ILE 68 -18.182 25.293 3.146 1.00 12.35 ATOM 1086 HD12 ILE 68 -18.583 26.642 4.200 1.00 12.54 ATOM 1087 HD13 ILE 68 -17.253 26.785 3.058 1.00 42.12 ATOM 1088 C ILE 68 -18.968 29.555 -0.598 1.00 30.24 ATOM 1089 O ILE 68 -19.596 30.612 -0.549 1.00 52.54 ATOM 1090 N ARG 69 -17.823 29.422 -1.260 1.00 14.32 ATOM 1091 HN ARG 69 -17.363 28.549 -1.264 1.00 38.44 ATOM 1092 CA ARG 69 -17.226 30.538 -1.983 1.00 42.03 ATOM 1093 HA ARG 69 -17.242 31.403 -1.344 1.00 11.04 ATOM 1094 CB ARG 69 -15.772 30.222 -2.340 1.00 1.33 ATOM 1095 HB1 ARG 69 -15.742 29.311 -2.921 1.00 38.44 ATOM 1096 HB2 ARG 69 -15.226 30.063 -1.432 1.00 65.00 ATOM 1097 CG ARG 69 -15.079 31.334 -3.110 1.00 64.14 ATOM 1098 HG1 ARG 69 -14.026 31.309 -2.866 1.00 38.44 ATOM 1099 HG2 ARG 69 -15.489 32.293 -2.819 1.00 41.12 ATOM 1100 CD ARG 69 -15.247 31.160 -4.612 1.00 32.23 ATOM 1101 HD1 ARG 69 -16.104 31.738 -4.927 1.00 38.44 ATOM 1102 HD2 ARG 69 -15.409 30.117 -4.854 1.00 71.51 ATOM 1103 NE ARG 69 -14.077 31.625 -5.351 1.00 51.25 ATOM 1104 HE ARG 69 -13.280 31.893 -4.836 1.00 13.42 ATOM 1105 CZ ARG 69 -14.029 31.704 -6.677 1.00 20.14 ATOM 1106 NH1 ARG 69 -15.080 31.350 -7.404 1.00 1.54 ATOM 1107 HH11 ARG 69 -15.920 31.019 -6.978 1.00 11.42 ATOM 1108 HH12 ARG 69 -15.035 31.414 -8.403 1.00 74.13 ATOM 1109 NH2 ARG 69 -12.928 32.138 -7.277 1.00 70.51 ATOM 1110 HH21 ARG 69 -12.143 32.413 -6.730 1.00 41.13 ATOM 1111 HH22 ARG 69 -12.882 32.190 -8.277 1.00 43.32 ATOM 1112 C ARG 69 -18.016 30.849 -3.251 1.00 45.13 ATOM 1113 O ARG 69 -18.337 32.005 -3.527 1.00 4.35 ATOM 1114 N ARG 70 -18.325 29.810 -4.020 1.00 25.33 ATOM 1115 HN ARG 70 -18.031 28.906 -3.753 1.00 38.44 ATOM 1116 CA ARG 70 -19.075 29.972 -5.259 1.00 42.22 ATOM 1117 HA ARG 70 -18.453 30.514 -5.956 1.00 23.10 ATOM 1118 CB ARG 70 -19.415 28.606 -5.857 1.00 71.11 ATOM 1119 HB1 ARG 70 -19.857 27.991 -5.085 1.00 38.44 ATOM 1120 HB2 ARG 70 -18.499 28.141 -6.196 1.00 64.31 ATOM 1121 CG ARG 70 -20.382 28.677 -7.028 1.00 12.05 ATOM 1122 HG1 ARG 70 -19.958 29.307 -7.797 1.00 38.44 ATOM 1123 HG2 ARG 70 -21.319 29.096 -6.694 1.00 2.14 ATOM 1124 CD ARG 70 -20.664 27.298 -7.602 1.00 62.52 ATOM 1125 HD1 ARG 70 -21.726 27.242 -7.795 1.00 38.44 ATOM 1126 HD2 ARG 70 -20.392 26.531 -6.886 1.00 14.23 ATOM 1127 NE ARG 70 -19.937 27.065 -8.847 1.00 74.35 ATOM 1128 HE ARG 70 -19.143 27.621 -9.028 1.00 1.24 ATOM 1129 CZ ARG 70 -20.284 26.143 -9.739 1.00 62.10 ATOM 1130 NH1 ARG 70 -21.341 25.372 -9.524 1.00 21.01 ATOM 1131 HH11 ARG 70 -21.894 25.458 -8.700 1.00 73.21 ATOM 1132 HH12 ARG 70 -21.595 24.683 -10.206 1.00 53.45 ATOM 1133 NH2 ARG 70 -19.572 25.991 -10.849 1.00 15.11 ATOM 1134 HH21 ARG 70 -18.772 26.570 -11.017 1.00 31.44 ATOM 1135 HH22 ARG 70 -19.831 25.296 -11.523 1.00 2.20 ATOM 1136 C ARG 70 -20.355 30.768 -5.020 1.00 22.54 ATOM 1137 O ARG 70 -20.590 31.792 -5.661 1.00 32.30 ATOM 1138 N ARG 71 -21.178 30.289 -4.093 1.00 32.42 ATOM 1139 HN ARG 71 -20.931 29.466 -3.608 1.00 38.44 ATOM 1140 CA ARG 71 -22.435 30.954 -3.770 1.00 22.31 ATOM 1141 HA ARG 71 -22.985 31.100 -4.690 1.00 64.33 ATOM 1142 CB ARG 71 -23.263 30.090 -2.817 1.00 53.10 ATOM 1143 HB1 ARG 71 -24.042 30.693 -2.361 1.00 38.44 ATOM 1144 HB2 ARG 71 -22.614 29.718 -2.036 1.00 53.10 ATOM 1145 CG ARG 71 -23.917 28.895 -3.491 1.00 33.11 ATOM 1146 HG1 ARG 71 -24.258 28.209 -2.728 1.00 38.44 ATOM 1147 HG2 ARG 71 -23.190 28.397 -4.119 1.00 44.55 ATOM 1148 CD ARG 71 -25.100 29.317 -4.348 1.00 53.11 ATOM 1149 HD1 ARG 71 -25.195 28.602 -5.154 1.00 38.44 ATOM 1150 HD2 ARG 71 -24.930 30.300 -4.766 1.00 64.11 ATOM 1151 NE ARG 71 -26.347 29.336 -3.588 1.00 75.15 ATOM 1152 HE ARG 71 -26.293 29.231 -2.609 1.00 23.54 ATOM 1153 CZ ARG 71 -27.544 29.490 -4.144 1.00 51.22 ATOM 1154 NH1 ARG 71 -27.655 29.638 -5.457 1.00 70.21 ATOM 1155 HH11 ARG 71 -26.853 29.639 -6.051 1.00 12.42 ATOM 1156 HH12 ARG 71 -28.563 29.752 -5.867 1.00 74.52 ATOM 1157 NH2 ARG 71 -28.633 29.496 -3.386 1.00 52.41 ATOM 1158 HH21 ARG 71 -28.556 29.385 -2.393 1.00 5.20 ATOM 1159 HH22 ARG 71 -29.537 29.612 -3.803 1.00 71.31 ATOM 1160 C ARG 71 -22.181 32.321 -3.143 1.00 44.41 ATOM 1161 O ARG 71 -23.003 33.230 -3.255 1.00 62.44 ATOM 1162 N GLY 72 -21.035 32.460 -2.482 1.00 14.32 ATOM 1163 HN GLY 72 -20.422 31.705 -2.383 1.00 38.44 ATOM 1164 CA GLY 72 -20.694 33.719 -1.846 1.00 43.43 ATOM 1165 HA1 GLY 72 -19.827 33.565 -1.221 1.00 38.44 ATOM 1166 HA2 GLY 72 -21.517 34.044 -1.222 1.00 50.22 ATOM 1167 C GLY 72 -20.378 34.809 -2.851 1.00 42.25 ATOM 1168 O GLY 72 -20.881 35.928 -2.745 1.00 72.30 ATOM 1169 N LYS 73 -19.540 34.484 -3.830 1.00 52.34 ATOM 1170 HN LYS 73 -19.175 33.569 -3.870 1.00 38.44 ATOM 1171 CA LYS 73 -19.156 35.443 -4.859 1.00 54.25 ATOM 1172 HA LYS 73 -18.992 36.403 -4.380 1.00 31.43 ATOM 1173 CB LYS 73 -17.863 34.997 -5.545 1.00 72.51 ATOM 1174 HB1 LYS 73 -18.099 34.336 -6.372 1.00 38.44 ATOM 1175 HB2 LYS 73 -17.263 34.451 -4.829 1.00 42.10 ATOM 1176 CG LYS 73 -17.023 36.148 -6.069 1.00 55.54 ATOM 1177 HG1 LYS 73 -16.702 36.759 -5.241 1.00 38.44 ATOM 1178 HG2 LYS 73 -17.635 36.744 -6.733 1.00 20.01 ATOM 1179 CD LYS 73 -15.818 35.650 -6.849 1.00 11.31 ATOM 1180 HD1 LYS 73 -15.412 36.473 -7.419 1.00 38.44 ATOM 1181 HD2 LYS 73 -16.121 34.862 -7.526 1.00 0.25 ATOM 1182 CE LYS 73 -14.736 35.119 -5.922 1.00 25.00 ATOM 1183 HE1 LYS 73 -13.929 34.728 -6.524 1.00 38.44 ATOM 1184 HE2 LYS 73 -15.145 34.324 -5.316 1.00 32.44 ATOM 1185 NZ LYS 73 -14.198 36.183 -5.030 1.00 2.21 ATOM 1186 HZ1 LYS 73 -14.894 36.428 -4.299 1.00 13.23 ATOM 1187 HZ2 LYS 73 -13.966 37.041 -5.575 1.00 43.55 ATOM 1188 HZ3 LYS 73 -13.332 35.845 -4.563 1.00 22.35 ATOM 1189 C LYS 73 -20.265 35.602 -5.895 1.00 44.44 ATOM 1190 O LYS 73 -20.400 36.656 -6.516 1.00 63.34 ATOM 1191 N ASN 74 -21.056 34.550 -6.075 1.00 71.11 ATOM 1192 HN ASN 74 -20.893 33.722 -5.567 1.00 38.44 ATOM 1193 CA ASN 74 -22.154 34.574 -7.035 1.00 65.13 ATOM 1194 HA ASN 74 -21.739 34.768 -8.015 1.00 75.24 ATOM 1195 CB ASN 74 -22.866 33.220 -7.061 1.00 14.45 ATOM 1196 HB1 ASN 74 -23.229 32.992 -6.068 1.00 38.44 ATOM 1197 HB2 ASN 74 -22.162 32.461 -7.365 1.00 20.34 ATOM 1198 CG ASN 74 -24.028 33.197 -8.035 1.00 60.32 ATOM 1199 OD1 ASN 74 -23.914 33.671 -9.166 1.00 10.15 ATOM 1200 ND2 ASN 74 -25.154 32.643 -7.600 1.00 61.13 ATOM 1201 HD21 ASN 74 -25.189 32.278 -6.687 1.00 31.52 ATOM 1202 HD22 ASN 74 -25.916 32.619 -8.215 1.00 74.31 ATOM 1203 C ASN 74 -23.149 35.679 -6.696 1.00 41.33 ATOM 1204 O ASN 74 -23.841 36.198 -7.573 1.00 21.41 ATOM 1205 N LYS 75 -23.215 36.036 -5.418 1.00 55.42 ATOM 1206 HN LYS 75 -22.671 35.566 -4.747 1.00 38.44 ATOM 1207 CA LYS 75 -24.124 37.081 -4.961 1.00 40.45 ATOM 1208 HA LYS 75 -25.111 36.869 -5.355 1.00 32.21 ATOM 1209 CB LYS 75 -24.197 37.090 -3.433 1.00 2.21 ATOM 1210 HB1 LYS 75 -23.219 37.325 -3.034 1.00 38.44 ATOM 1211 HB2 LYS 75 -24.477 36.101 -3.104 1.00 44.51 ATOM 1212 CG LYS 75 -25.196 38.090 -2.877 1.00 74.24 ATOM 1213 HG1 LYS 75 -26.168 37.905 -3.316 1.00 38.44 ATOM 1214 HG2 LYS 75 -24.872 39.088 -3.134 1.00 10.31 ATOM 1215 CD LYS 75 -25.297 37.996 -1.364 1.00 60.41 ATOM 1216 HD1 LYS 75 -25.780 38.889 -0.995 1.00 38.44 ATOM 1217 HD2 LYS 75 -24.305 37.925 -0.936 1.00 72.44 ATOM 1218 CE LYS 75 -26.114 36.787 -0.934 1.00 60.10 ATOM 1219 HE1 LYS 75 -25.884 35.942 -1.567 1.00 38.44 ATOM 1220 HE2 LYS 75 -27.162 37.027 -1.030 1.00 51.12 ATOM 1221 NZ LYS 75 -25.839 36.406 0.479 1.00 13.12 ATOM 1222 HZ1 LYS 75 -24.833 36.167 0.600 1.00 53.44 ATOM 1223 HZ2 LYS 75 -26.411 35.578 0.741 1.00 41.22 ATOM 1224 HZ3 LYS 75 -26.078 37.192 1.119 1.00 22.43 ATOM 1225 C LYS 75 -23.678 38.449 -5.468 1.00 0.44 ATOM 1226 O LYS 75 -24.423 39.137 -6.166 1.00 64.15 ATOM 1227 N VAL 76 -22.458 38.838 -5.111 1.00 42.34 ATOM 1228 HN VAL 76 -21.908 38.243 -4.549 1.00 38.44 ATOM 1229 CA VAL 76 -21.912 40.123 -5.532 1.00 4.12 ATOM 1230 HA VAL 76 -22.615 40.897 -5.242 1.00 4.15 ATOM 1231 CB VAL 76 -20.563 40.411 -4.847 1.00 25.25 ATOM 1232 HB VAL 76 -20.686 40.272 -3.783 1.00 74.25 ATOM 1233 CG1 VAL 76 -19.498 39.439 -5.333 1.00 53.35 ATOM 1234 HG11 VAL 76 -18.590 39.602 -4.769 1.00 60.33 ATOM 1235 HG12 VAL 76 -19.289 39.591 -6.381 1.00 75.32 ATOM 1236 HG13 VAL 76 -19.829 38.430 -5.170 1.00 33.43 ATOM 1237 CG2 VAL 76 -20.136 41.850 -5.094 1.00 61.21 ATOM 1238 HG21 VAL 76 -20.913 42.523 -4.757 1.00 43.44 ATOM 1239 HG22 VAL 76 -19.958 42.007 -6.146 1.00 14.44 ATOM 1240 HG23 VAL 76 -19.228 42.054 -4.544 1.00 23.01 ATOM 1241 C VAL 76 -21.722 40.171 -7.044 1.00 2.43 ATOM 1242 O VAL 76 -21.822 41.233 -7.658 1.00 60.34 ATOM 1243 N ALA 77 -21.448 39.014 -7.637 1.00 45.43 ATOM 1244 HN ALA 77 -21.364 38.194 -7.096 1.00 38.44 ATOM 1245 CA ALA 77 -21.246 38.924 -9.078 1.00 71.11 ATOM 1246 HA ALA 77 -20.489 39.645 -9.362 1.00 34.34 ATOM 1247 CB ALA 77 -20.737 37.540 -9.454 1.00 13.11 ATOM 1248 HB1 ALA 77 -21.481 36.797 -9.201 1.00 32.03 ATOM 1249 HB2 ALA 77 -19.827 37.334 -8.910 1.00 1.43 ATOM 1250 HB3 ALA 77 -20.536 37.502 -10.516 1.00 22.31 ATOM 1251 C ALA 77 -22.533 39.240 -9.833 1.00 62.41 ATOM 1252 O ALA 77 -22.497 39.678 -10.983 1.00 35.34 ATOM 1253 N ALA 78 -23.668 39.013 -9.180 1.00 3.55 ATOM 1254 HN ALA 78 -23.644 38.633 -8.272 1.00 38.44 ATOM 1255 CA ALA 78 -24.966 39.275 -9.789 1.00 45.22 ATOM 1256 HA ALA 78 -25.060 38.648 -10.666 1.00 15.51 ATOM 1257 CB ALA 78 -26.085 38.906 -8.827 1.00 22.11 ATOM 1258 HB1 ALA 78 -27.038 39.005 -9.326 1.00 32.21 ATOM 1259 HB2 ALA 78 -26.059 39.560 -7.967 1.00 71.33 ATOM 1260 HB3 ALA 78 -25.956 37.884 -8.503 1.00 33.10 ATOM 1261 C ALA 78 -25.089 40.735 -10.212 1.00 10.20 ATOM 1262 O ALA 78 -25.381 41.032 -11.370 1.00 10.20 ATOM 1263 N GLN 79 -24.866 41.641 -9.266 1.00 4.42 ATOM 1264 HN GLN 79 -24.660 41.327 -8.359 1.00 38.44 ATOM 1265 CA GLN 79 -24.954 43.070 -9.541 1.00 43.54 ATOM 1266 HA GLN 79 -25.909 43.267 -10.013 1.00 61.24 ATOM 1267 CB GLN 79 -24.879 43.868 -8.238 1.00 45.23 ATOM 1268 HB1 GLN 79 -25.779 43.682 -7.670 1.00 38.44 ATOM 1269 HB2 GLN 79 -24.828 44.926 -8.470 1.00 1.22 ATOM 1270 CG GLN 79 -23.688 43.500 -7.368 1.00 10.35 ATOM 1271 HG1 GLN 79 -22.785 43.532 -7.960 1.00 38.44 ATOM 1272 HG2 GLN 79 -23.830 42.503 -6.986 1.00 30.52 ATOM 1273 CD GLN 79 -23.522 44.431 -6.182 1.00 60.05 ATOM 1274 OE1 GLN 79 -24.083 44.197 -5.112 1.00 10.45 ATOM 1275 NE2 GLN 79 -22.748 45.494 -6.368 1.00 70.11 ATOM 1276 HE21 GLN 79 -22.324 45.631 -7.246 1.00 33.54 ATOM 1277 HE22 GLN 79 -22.628 46.108 -5.614 1.00 61.54 ATOM 1278 C GLN 79 -23.841 43.512 -10.487 1.00 13.23 ATOM 1279 O GLN 79 -24.008 44.456 -11.258 1.00 64.21 ATOM 1280 N ASN 80 -22.707 42.823 -10.420 1.00 44.22 ATOM 1281 HN ASN 80 -22.617 42.078 -9.783 1.00 38.44 ATOM 1282 CA ASN 80 -21.566 43.145 -11.270 1.00 0.41 ATOM 1283 HA ASN 80 -21.700 44.135 -11.690 1.00 41.10 ATOM 1284 CB ASN 80 -20.275 43.146 -10.448 1.00 74.21 ATOM 1285 HB1 ASN 80 -19.451 43.444 -11.082 1.00 38.44 ATOM 1286 HB2 ASN 80 -20.092 42.146 -10.075 1.00 0.01 ATOM 1287 CG ASN 80 -20.339 44.101 -9.272 1.00 33.12 ATOM 1288 OD1 ASN 80 -20.869 45.207 -9.384 1.00 21.42 ATOM 1289 ND2 ASN 80 -19.798 43.677 -8.136 1.00 1.03 ATOM 1290 HD21 ASN 80 -19.387 42.784 -8.105 1.00 52.40 ATOM 1291 HD22 ASN 80 -19.831 44.279 -7.363 1.00 42.12 ATOM 1292 C ASN 80 -21.448 42.152 -12.422 1.00 11.20 ATOM 1293 O ASN 80 -20.354 41.693 -12.750 1.00 22.10 ATOM 1294 N TYR 81 -22.582 41.826 -13.032 1.00 62.34 ATOM 1295 HN TYR 81 -23.427 42.245 -12.760 1.00 38.44 ATOM 1296 CA TYR 81 -22.607 40.886 -14.147 1.00 25.22 ATOM 1297 HA TYR 81 -21.671 40.335 -14.158 1.00 34.23 ATOM 1298 CB TYR 81 -23.759 39.894 -13.979 1.00 52.25 ATOM 1299 HB1 TYR 81 -24.661 40.296 -14.429 1.00 38.44 ATOM 1300 HB2 TYR 81 -23.944 39.744 -12.925 1.00 1.14 ATOM 1301 CG TYR 81 -23.483 38.537 -14.586 1.00 53.01 ATOM 1302 CD1 TYR 81 -22.581 37.661 -13.995 1.00 75.40 ATOM 1303 HD1 TYR 81 -22.072 37.958 -13.088 1.00 73.15 ATOM 1304 CD2 TYR 81 -24.123 38.131 -15.751 1.00 14.44 ATOM 1305 HD2 TYR 81 -24.828 38.799 -16.227 1.00 33.42 ATOM 1306 CE1 TYR 81 -22.326 36.420 -14.546 1.00 24.20 ATOM 1307 HE1 TYR 81 -21.621 35.753 -14.071 1.00 13.11 ATOM 1308 CE2 TYR 81 -23.875 36.892 -16.308 1.00 2.03 ATOM 1309 HE2 TYR 81 -24.384 36.595 -17.213 1.00 61.42 ATOM 1310 CZ TYR 81 -22.975 36.040 -15.702 1.00 31.00 ATOM 1311 OH TYR 81 -22.724 34.805 -16.255 1.00 3.14 ATOM 1312 HH TYR 81 -23.135 34.118 -15.721 1.00 31.40 ATOM 1313 C TYR 81 -22.742 41.621 -15.477 1.00 33.03 ATOM 1314 O TYR 81 -23.184 42.769 -15.522 1.00 1.23 ATOM 1315 N ARG 82 -22.360 40.950 -16.558 1.00 64.20 ATOM 1316 HN ARG 82 -21.995 40.040 -16.447 1.00 38.44 ATOM 1317 CA ARG 82 -22.437 41.538 -17.890 1.00 15.03 ATOM 1318 HA ARG 82 -21.791 42.405 -17.912 1.00 52.55 ATOM 1319 CB ARG 82 -21.957 40.537 -18.942 1.00 33.42 ATOM 1320 HB1 ARG 82 -20.893 40.397 -18.809 1.00 38.44 ATOM 1321 HB2 ARG 82 -22.122 40.954 -19.928 1.00 33.23 ATOM 1322 CG ARG 82 -22.623 39.174 -18.834 1.00 40.44 ATOM 1323 HG1 ARG 82 -23.322 39.167 -18.018 1.00 38.44 ATOM 1324 HG2 ARG 82 -21.862 38.428 -18.659 1.00 72.14 ATOM 1325 CD ARG 82 -23.377 38.821 -20.107 1.00 21.01 ATOM 1326 HD1 ARG 82 -22.877 39.243 -20.971 1.00 38.44 ATOM 1327 HD2 ARG 82 -24.368 39.245 -20.037 1.00 23.12 ATOM 1328 NE ARG 82 -23.508 37.377 -20.282 1.00 51.13 ATOM 1329 HE ARG 82 -24.366 36.969 -20.033 1.00 35.24 ATOM 1330 CZ ARG 82 -22.537 36.603 -20.754 1.00 30.25 ATOM 1331 NH1 ARG 82 -21.370 37.131 -21.094 1.00 43.23 ATOM 1332 HH11 ARG 82 -21.190 38.107 -21.003 1.00 33.31 ATOM 1333 HH12 ARG 82 -20.646 36.538 -21.452 1.00 23.32 ATOM 1334 NH2 ARG 82 -22.732 35.297 -20.884 1.00 75.12 ATOM 1335 HH21 ARG 82 -23.611 34.891 -20.627 1.00 71.12 ATOM 1336 HH22 ARG 82 -22.001 34.711 -21.240 1.00 53.11 ATOM 1337 C ARG 82 -23.863 41.980 -18.206 1.00 52.32 ATOM 1338 O ARG 82 -24.798 41.677 -17.465 1.00 32.30 ATOM 1339 N LYS 83 -24.022 42.700 -19.312 1.00 32.12 ATOM 1340 HN LYS 83 -23.240 42.909 -19.875 1.00 38.44 ATOM 1341 CA LYS 83 -25.333 43.184 -19.728 1.00 40.12 ATOM 1342 HA LYS 83 -26.045 43.008 -18.927 1.00 34.14 ATOM 1343 CB LYS 83 -25.283 44.691 -19.992 1.00 63.32 ATOM 1344 HB1 LYS 83 -24.644 44.876 -20.846 1.00 38.44 ATOM 1345 HB2 LYS 83 -24.846 45.174 -19.132 1.00 62.14 ATOM 1346 CG LYS 83 -26.643 45.304 -20.278 1.00 24.14 ATOM 1347 HG1 LYS 83 -27.266 44.598 -20.809 1.00 38.44 ATOM 1348 HG2 LYS 83 -26.502 46.173 -20.905 1.00 51.03 ATOM 1349 CD LYS 83 -27.353 45.706 -18.996 1.00 1.20 ATOM 1350 HD1 LYS 83 -27.063 45.047 -18.186 1.00 38.44 ATOM 1351 HD2 LYS 83 -28.418 45.623 -19.156 1.00 41.21 ATOM 1352 CE LYS 83 -27.036 47.143 -18.610 1.00 62.04 ATOM 1353 HE1 LYS 83 -27.854 47.522 -18.016 1.00 38.44 ATOM 1354 HE2 LYS 83 -26.935 47.753 -19.498 1.00 32.42 ATOM 1355 NZ LYS 83 -25.785 47.239 -17.808 1.00 30.20 ATOM 1356 HZ1 LYS 83 -25.733 48.172 -17.350 1.00 60.14 ATOM 1357 HZ2 LYS 83 -24.956 47.130 -18.423 1.00 22.14 ATOM 1358 HZ3 LYS 83 -25.758 46.504 -17.069 1.00 22.22 ATOM 1359 C LYS 83 -25.811 42.454 -20.979 1.00 64.33 ATOM 1360 O LYS 83 -25.290 42.672 -22.073 1.00 53.15 ATOM 1361 N ARG 84 -26.804 41.587 -20.810 1.00 51.42 ATOM 1362 HN ARG 84 -27.163 41.440 -19.902 1.00 38.44 ATOM 1363 CA ARG 84 -27.352 40.826 -21.926 1.00 63.41 ATOM 1364 HA ARG 84 -26.585 40.144 -22.268 1.00 31.45 ATOM 1365 CB ARG 84 -28.566 40.014 -21.470 1.00 43.04 ATOM 1366 HB1 ARG 84 -28.223 39.260 -20.775 1.00 38.44 ATOM 1367 HB2 ARG 84 -28.999 39.513 -22.328 1.00 2.32 ATOM 1368 CG ARG 84 -29.627 40.847 -20.769 1.00 64.33 ATOM 1369 HG1 ARG 84 -29.324 41.887 -20.733 1.00 38.44 ATOM 1370 HG2 ARG 84 -29.744 40.478 -19.763 1.00 71.11 ATOM 1371 CD ARG 84 -30.967 40.756 -21.482 1.00 21.10 ATOM 1372 HD1 ARG 84 -31.443 39.821 -21.224 1.00 38.44 ATOM 1373 HD2 ARG 84 -30.800 40.784 -22.553 1.00 13.22 ATOM 1374 NE ARG 84 -31.848 41.867 -21.134 1.00 51.30 ATOM 1375 HE ARG 84 -31.954 42.583 -21.798 1.00 44.34 ATOM 1376 CZ ARG 84 -32.502 41.954 -19.981 1.00 24.23 ATOM 1377 NH1 ARG 84 -32.373 41.000 -19.069 1.00 30.20 ATOM 1378 HH11 ARG 84 -31.795 40.204 -19.219 1.00 55.52 ATOM 1379 HH12 ARG 84 -32.870 41.078 -18.202 1.00 12.02 ATOM 1380 NH2 ARG 84 -33.285 42.997 -19.737 1.00 72.44 ATOM 1381 HH21 ARG 84 -33.386 43.722 -20.421 1.00 74.22 ATOM 1382 HH22 ARG 84 -33.779 43.064 -18.868 1.00 65.24 ATOM 1383 C ARG 84 -27.746 41.750 -23.074 1.00 53.21 ATOM 1384 O ARG 84 -28.173 42.884 -22.854 1.00 60.01 ATOM 1385 N LYS 85 -27.600 41.258 -24.300 1.00 14.52 ATOM 1386 HN LYS 85 -27.257 40.343 -24.423 1.00 38.44 ATOM 1387 CA LYS 85 -27.942 42.039 -25.483 1.00 63.33 ATOM 1388 HA LYS 85 -28.284 43.022 -25.182 1.00 4.22 ATOM 1389 CB LYS 85 -26.713 42.206 -26.381 1.00 13.45 ATOM 1390 HB1 LYS 85 -27.015 42.647 -27.317 1.00 38.44 ATOM 1391 HB2 LYS 85 -26.294 41.228 -26.573 1.00 55.34 ATOM 1392 CG LYS 85 -25.631 43.082 -25.773 1.00 13.31 ATOM 1393 HG1 LYS 85 -25.338 42.657 -24.823 1.00 38.44 ATOM 1394 HG2 LYS 85 -26.030 44.074 -25.608 1.00 74.33 ATOM 1395 CD LYS 85 -24.406 43.158 -26.669 1.00 33.42 ATOM 1396 HD1 LYS 85 -24.231 42.198 -27.140 1.00 38.44 ATOM 1397 HD2 LYS 85 -23.552 43.412 -26.058 1.00 32.01 ATOM 1398 CE LYS 85 -24.564 44.225 -27.741 1.00 13.25 ATOM 1399 HE1 LYS 85 -23.580 44.560 -28.034 1.00 38.44 ATOM 1400 HE2 LYS 85 -25.119 45.066 -27.346 1.00 23.34 ATOM 1401 NZ LYS 85 -25.265 43.702 -28.946 1.00 31.12 ATOM 1402 HZ1 LYS 85 -24.978 44.251 -29.782 1.00 63.13 ATOM 1403 HZ2 LYS 85 -26.291 43.798 -28.833 1.00 45.55 ATOM 1404 HZ3 LYS 85 -25.035 42.698 -29.115 1.00 64.40 ATOM 1405 C LYS 85 -29.069 41.374 -26.266 1.00 54.25 ATOM 1406 O LYS 85 -29.513 40.277 -25.926 1.00 21.23 ATOM 1407 N LEU 86 -29.528 42.045 -27.318 1.00 33.55 ATOM 1408 HN LEU 86 -29.149 42.925 -27.542 1.00 38.44 ATOM 1409 CA LEU 86 -30.604 41.518 -28.151 1.00 22.03 ATOM 1410 HA LEU 86 -30.859 40.518 -27.822 1.00 35.12 ATOM 1411 CB LEU 86 -31.847 42.401 -28.031 1.00 51.12 ATOM 1412 HB1 LEU 86 -32.523 42.142 -28.840 1.00 38.44 ATOM 1413 HB2 LEU 86 -31.546 43.432 -28.169 1.00 44.24 ATOM 1414 CG LEU 86 -32.629 42.285 -26.723 1.00 15.14 ATOM 1415 HG LEU 86 -32.675 41.246 -26.423 1.00 74.04 ATOM 1416 CD1 LEU 86 -31.934 43.061 -25.614 1.00 71.44 ATOM 1417 HD11 LEU 86 -32.608 43.183 -24.774 1.00 21.24 ATOM 1418 HD12 LEU 86 -31.636 44.038 -25.971 1.00 0.34 ATOM 1419 HD13 LEU 86 -31.070 42.524 -25.283 1.00 72.04 ATOM 1420 CD2 LEU 86 -34.056 42.781 -26.908 1.00 72.35 ATOM 1421 HD21 LEU 86 -34.602 42.670 -25.981 1.00 22.35 ATOM 1422 HD22 LEU 86 -34.544 42.201 -27.679 1.00 22.24 ATOM 1423 HD23 LEU 86 -34.046 43.824 -27.196 1.00 22.22 ATOM 1424 C LEU 86 -30.168 41.428 -29.610 1.00 12.22 ATOM 1425 O LEU 86 -30.981 41.582 -30.520 1.00 53.43 ATOM 1426 N GLU 87 -28.881 41.176 -29.823 1.00 64.32 ATOM 1427 HN GLU 87 -28.273 41.027 -29.063 1.00 38.44 ATOM 1428 CA GLU 87 -28.338 41.064 -31.172 1.00 71.01 ATOM 1429 HA GLU 87 -29.051 41.485 -31.875 1.00 32.20 ATOM 1430 CB GLU 87 -27.032 41.852 -31.287 1.00 42.43 ATOM 1431 HB1 GLU 87 -26.257 41.341 -30.731 1.00 38.44 ATOM 1432 HB2 GLU 87 -27.175 42.831 -30.848 1.00 30.35 ATOM 1433 CG GLU 87 -26.551 42.027 -32.718 1.00 4.21 ATOM 1434 HG1 GLU 87 -26.570 41.073 -33.226 1.00 38.44 ATOM 1435 HG2 GLU 87 -25.536 42.394 -32.694 1.00 42.25 ATOM 1436 CD GLU 87 -27.395 43.013 -33.501 1.00 53.22 ATOM 1437 OE1 GLU 87 -27.198 43.117 -34.730 1.00 74.12 ATOM 1438 OE2 GLU 87 -28.252 43.681 -32.886 1.00 74.00 ATOM 1439 C GLU 87 -28.098 39.603 -31.543 1.00 3.35 ATOM 1440 O GLU 87 -27.017 39.060 -31.308 1.00 54.41 ATOM 1441 N THR 88 -29.113 38.971 -32.123 1.00 33.05 ATOM 1442 HN THR 88 -29.934 39.473 -32.316 1.00 38.44 ATOM 1443 CA THR 88 -29.014 37.574 -32.524 1.00 74.51 ATOM 1444 HA THR 88 -28.233 37.093 -31.944 1.00 74.24 ATOM 1445 CB THR 88 -30.327 36.816 -32.250 1.00 33.03 ATOM 1446 HB THR 88 -30.504 36.808 -31.184 1.00 22.14 ATOM 1447 OG1 THR 88 -30.221 35.467 -32.717 1.00 71.40 ATOM 1448 HG1 THR 88 -30.831 34.907 -32.230 1.00 31.05 ATOM 1449 CG2 THR 88 -31.501 37.503 -32.931 1.00 51.10 ATOM 1450 HG21 THR 88 -31.304 37.636 -33.985 1.00 21.31 ATOM 1451 HG22 THR 88 -31.679 38.462 -32.473 1.00 63.15 ATOM 1452 HG23 THR 88 -32.382 36.889 -32.813 1.00 21.21 ATOM 1453 C THR 88 -28.669 37.450 -34.004 1.00 33.33 ATOM 1454 O THR 88 -28.888 38.379 -34.781 1.00 45.23 ATOM 1455 N ILE 89 -28.130 36.297 -34.386 1.00 75.03 ATOM 1456 HN ILE 89 -28.018 35.585 -33.717 1.00 38.44 ATOM 1457 CA ILE 89 -27.757 36.052 -35.774 1.00 12.02 ATOM 1458 HA ILE 89 -26.973 36.753 -36.032 1.00 52.01 ATOM 1459 CB ILE 89 -27.222 34.621 -35.969 1.00 34.13 ATOM 1460 HB ILE 89 -28.024 33.923 -35.767 1.00 64.45 ATOM 1461 CG1 ILE 89 -26.073 34.346 -34.997 1.00 43.13 ATOM 1462 HG11 ILE 89 -25.688 33.351 -35.175 1.00 38.44 ATOM 1463 HG12 ILE 89 -26.431 34.400 -33.983 1.00 3.23 ATOM 1464 CG2 ILE 89 -26.769 34.416 -37.406 1.00 43.34 ATOM 1465 HG21 ILE 89 -27.626 34.415 -38.063 1.00 45.33 ATOM 1466 HG22 ILE 89 -26.260 33.465 -37.496 1.00 22.45 ATOM 1467 HG23 ILE 89 -26.095 35.209 -37.699 1.00 51.42 ATOM 1468 CD1 ILE 89 -24.920 35.315 -35.136 1.00 44.21 ATOM 1469 HD11 ILE 89 -25.232 36.303 -34.834 1.00 74.53 ATOM 1470 HD12 ILE 89 -24.574 35.341 -36.158 1.00 71.03 ATOM 1471 HD13 ILE 89 -24.110 34.992 -34.499 1.00 21.15 ATOM 1472 C ILE 89 -28.942 36.272 -36.709 1.00 23.32 ATOM 1473 O ILE 89 -30.058 35.836 -36.427 1.00 11.31 ATOM 1474 N VAL 90 -28.690 36.949 -37.825 1.00 12.15 ATOM 1475 HN VAL 90 -27.781 37.294 -37.977 1.00 38.44 ATOM 1476 CA VAL 90 -29.735 37.224 -38.804 1.00 1.54 ATOM 1477 HA VAL 90 -30.508 37.808 -38.315 1.00 72.21 ATOM 1478 CB VAL 90 -29.190 38.038 -39.992 1.00 42.42 ATOM 1479 HB VAL 90 -29.980 38.163 -40.722 1.00 14.53 ATOM 1480 CG1 VAL 90 -28.755 39.423 -39.537 1.00 10.13 ATOM 1481 HG11 VAL 90 -27.961 39.336 -38.808 1.00 11.20 ATOM 1482 HG12 VAL 90 -29.595 39.938 -39.092 1.00 23.31 ATOM 1483 HG13 VAL 90 -28.401 39.990 -40.387 1.00 74.40 ATOM 1484 CG2 VAL 90 -28.038 37.301 -40.659 1.00 0.35 ATOM 1485 HG21 VAL 90 -28.372 36.342 -41.024 1.00 13.55 ATOM 1486 HG22 VAL 90 -27.232 37.156 -39.957 1.00 42.31 ATOM 1487 HG23 VAL 90 -27.676 37.885 -41.494 1.00 54.15 ATOM 1488 C VAL 90 -30.352 35.932 -39.327 1.00 1.40 ATOM 1489 O VAL 90 -29.688 34.898 -39.390 1.00 73.12 ATOM 1490 N GLN 91 -31.625 36.000 -39.701 1.00 54.44 ATOM 1491 HN GLN 91 -32.102 36.863 -39.637 1.00 38.44 ATOM 1492 HA GLN 91 -32.074 33.995 -39.592 1.00 52.12 ATOM 1493 CB GLN 91 -33.843 35.068 -40.177 1.00 13.11 ATOM 1494 HB1 GLN 91 -34.131 35.733 -40.981 1.00 38.44 ATOM 1495 HB2 GLN 91 -34.096 35.535 -39.235 1.00 1.12 ATOM 1496 CG GLN 91 -34.659 33.791 -40.297 1.00 14.21 ATOM 1497 HG1 GLN 91 -34.478 33.357 -41.270 1.00 38.44 ATOM 1498 HG2 GLN 91 -35.706 34.039 -40.204 1.00 44.30 ATOM 1499 CD GLN 91 -34.307 32.771 -39.232 1.00 53.31 ATOM 1500 OE1 GLN 91 -33.791 33.119 -38.169 1.00 55.04 ATOM 1501 NE2 GLN 91 -34.585 31.503 -39.512 1.00 1.23 ATOM 1502 HE21 GLN 91 -34.998 31.283 -40.378 1.00 41.00 ATOM 1503 HE22 GLN 91 -34.365 30.828 -38.836 1.00 12.11 ATOM 1504 CA GLN 91 -32.332 34.835 -40.219 1.00 51.05 ATOM 1505 C GLN 91 -31.894 34.523 -41.646 1.00 62.45 ATOM 1506 OT1 GLN 91 -31.454 33.379 -41.893 1.00 38.44 ATOM 1507 OT2 GLN 91 -31.982 35.427 -42.507 1.00 38.44 ATOM 1508 OH2 TIP3 1 -27.344 20.249 1.013 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -27.393 19.294 0.976 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -28.170 20.517 1.415 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -27.799 17.290 0.956 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -28.651 17.528 0.589 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -27.209 17.273 0.203 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -31.619 21.875 -0.200 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -32.221 21.320 -0.695 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -31.338 22.542 -0.826 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -27.571 22.732 -13.394 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -26.828 23.318 -13.534 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -28.266 23.300 -13.061 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -30.349 22.129 -4.233 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -30.505 22.807 -4.890 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -29.417 22.201 -4.030 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -27.633 22.779 -4.004 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -27.655 22.964 -3.065 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -26.943 23.348 -4.345 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -28.070 22.346 -1.082 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -28.557 21.611 -1.453 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -27.521 21.953 -0.404 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -29.619 18.136 3.556 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -30.485 18.031 3.950 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -29.243 18.895 4.003 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -29.678 20.109 -1.851 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -30.326 20.434 -1.226 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -30.196 19.669 -2.526 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -33.900 23.457 0.573 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -33.223 22.825 0.333 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -33.578 23.859 1.381 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -31.044 23.965 -2.137 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -31.226 24.881 -2.348 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -30.868 23.555 -2.984 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -29.697 21.400 1.726 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -30.479 21.214 1.206 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -29.769 22.329 1.943 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -31.508 17.480 12.333 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -31.949 16.760 12.783 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -31.521 18.201 12.963 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -34.397 22.585 12.545 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -33.777 21.908 12.272 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -34.605 22.367 13.453 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -34.350 17.887 9.655 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -34.646 17.565 8.804 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -34.674 18.787 9.697 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -30.996 19.320 14.681 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -31.938 19.378 14.842 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -30.720 20.226 14.544 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -32.744 21.101 11.306 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -32.319 20.394 10.821 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -32.427 21.902 10.889 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -31.585 19.002 9.815 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -31.842 18.312 9.203 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -31.514 18.559 10.660 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -33.699 19.642 15.266 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -33.940 20.304 15.914 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -33.897 18.808 15.691 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -35.423 20.639 10.136 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -34.949 20.934 10.914 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -35.986 21.377 9.903 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -28.261 20.018 4.891 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -28.188 20.957 5.061 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -27.356 19.713 4.834 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -35.951 23.595 8.551 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -36.026 23.474 7.605 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -35.918 24.545 8.670 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -32.849 22.749 5.554 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -32.474 22.005 5.083 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -32.845 22.479 6.472 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -29.467 20.276 7.440 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -29.840 19.450 7.750 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -29.190 20.093 6.543 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -36.309 20.632 6.913 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -37.126 21.129 6.966 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -35.780 21.107 6.273 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -30.349 22.129 14.623 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -30.505 22.807 13.966 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -29.417 22.201 14.826 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -31.342 21.044 4.080 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -31.059 20.250 4.533 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -30.602 21.277 3.519 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -38.269 23.860 5.507 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -37.336 24.018 5.651 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -38.533 24.535 4.882 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -27.633 22.779 14.852 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -27.655 22.964 15.791 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -26.943 23.348 14.511 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -28.070 22.346 17.774 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -28.557 21.611 17.403 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -27.521 21.953 18.452 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -28.318 16.393 7.926 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -27.468 16.814 8.054 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -28.313 15.653 8.534 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -27.924 14.446 9.750 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -28.650 13.967 10.148 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -27.343 14.652 10.482 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -35.976 23.517 15.479 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -36.433 24.046 14.825 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -35.813 24.120 16.204 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -33.649 22.395 16.424 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -34.553 22.560 16.158 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -33.220 23.248 16.358 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -31.044 23.965 16.719 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -31.226 24.881 16.508 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -30.868 23.555 15.872 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -35.624 23.086 5.752 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -34.758 23.452 5.574 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -35.871 22.646 4.939 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -34.147 34.142 -45.956 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -34.058 35.086 -46.088 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -34.786 33.867 -46.614 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -34.397 41.441 -44.023 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -33.777 40.764 -44.296 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -34.605 41.223 -43.115 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -28.162 27.431 -41.270 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -28.113 28.041 -40.534 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -27.736 27.892 -41.993 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -32.807 28.456 -46.130 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -32.161 28.127 -45.505 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -32.297 28.974 -46.753 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -38.753 32.272 -44.553 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -38.137 31.746 -44.044 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -39.339 31.632 -44.957 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -27.770 28.909 -39.034 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -28.459 29.567 -39.129 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -27.755 28.712 -38.097 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -34.350 36.743 -46.913 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -34.646 36.421 -47.764 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -34.674 37.643 -46.871 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -39.150 34.919 -40.169 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -39.890 35.517 -40.066 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -38.436 35.473 -40.485 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -31.043 27.747 -44.149 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -31.258 26.981 -43.617 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -30.387 28.219 -43.636 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -40.742 36.883 -39.382 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -40.748 37.762 -39.760 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -41.596 36.800 -38.957 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -30.696 26.462 -40.470 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -31.432 27.073 -40.508 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -30.012 26.877 -40.996 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -32.744 39.957 -45.262 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -32.319 39.250 -45.747 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -32.427 40.758 -45.679 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -31.585 37.858 -46.753 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -31.842 37.168 -47.365 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -31.514 37.415 -45.908 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -35.426 33.386 -48.504 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -36.138 33.921 -48.855 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -34.735 33.442 -49.164 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -32.020 33.596 -47.552 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -32.752 33.824 -46.979 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -31.573 32.882 -47.097 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -40.375 34.226 -45.669 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -40.705 33.856 -46.488 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -39.787 33.556 -45.323 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -39.008 37.654 -42.988 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -39.103 37.076 -43.745 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -38.279 37.283 -42.492 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -40.008 32.995 -42.036 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -39.443 33.116 -42.799 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -39.689 33.632 -41.397 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -39.128 37.394 -37.319 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -39.440 38.176 -36.863 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -39.778 37.241 -38.005 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -33.149 32.758 -49.867 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -32.570 32.908 -49.120 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -32.735 33.229 -50.590 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -42.208 33.592 -38.090 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -42.138 34.243 -37.392 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -43.099 33.695 -38.425 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -35.423 39.495 -46.432 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -34.949 39.790 -45.654 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -35.986 40.233 -46.665 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -36.365 38.679 -37.823 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -36.278 39.505 -37.348 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -37.229 38.349 -37.574 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -30.192 30.598 -36.219 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -30.599 31.079 -36.939 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -30.151 29.693 -36.526 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -35.761 25.174 -38.852 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -35.341 24.759 -38.099 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -36.694 24.996 -38.735 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -40.333 30.418 -41.131 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -40.975 30.377 -40.422 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -40.296 31.344 -41.369 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -34.800 31.055 -47.402 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -35.209 31.870 -47.694 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -34.080 30.915 -48.017 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -33.796 30.501 -44.588 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -33.991 31.106 -45.303 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -33.614 29.667 -45.023 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -37.754 28.066 -45.133 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -38.665 28.123 -44.844 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -37.249 28.006 -44.322 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -33.349 27.301 -41.869 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -34.026 27.432 -41.205 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -33.835 27.146 -42.679 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -36.434 30.854 -43.246 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -35.870 30.307 -43.793 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -36.582 30.332 -42.457 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -37.808 29.242 -40.832 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -38.643 29.696 -40.722 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -37.284 29.518 -40.080 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -38.114 32.728 -35.850 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -38.410 32.562 -36.745 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -37.183 32.508 -35.860 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -29.467 39.132 -49.128 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -29.840 38.306 -48.818 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -29.190 38.949 -50.025 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -38.337 35.931 -46.397 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -38.578 36.856 -46.355 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -39.077 35.472 -46.001 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -37.822 40.080 -40.082 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -37.459 40.935 -40.315 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -37.290 39.788 -39.341 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -31.209 35.781 -49.081 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -31.486 35.053 -48.525 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -30.282 35.900 -48.875 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -30.038 27.978 -37.663 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -30.954 28.241 -37.751 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -29.702 27.975 -38.560 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -38.073 35.436 -35.330 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -38.401 35.707 -36.188 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -37.921 34.495 -35.418 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -39.949 31.675 -37.969 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -40.567 32.350 -37.688 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -39.605 31.996 -38.802 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -39.609 29.030 -36.886 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -39.459 28.301 -37.489 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -39.607 29.807 -37.445 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -39.197 27.400 -39.394 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -38.661 27.851 -40.046 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -40.049 27.292 -39.816 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -33.199 30.654 -34.126 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -33.007 29.723 -34.237 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -32.342 31.079 -34.136 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -38.391 24.856 -38.962 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -38.489 25.803 -39.068 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -39.134 24.484 -39.438 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -37.127 29.178 -35.399 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -37.363 28.958 -34.497 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -37.910 28.971 -35.908 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -34.411 28.305 -36.323 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -35.359 28.337 -36.191 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -34.099 27.680 -35.669 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -32.777 26.939 -34.318 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -32.874 25.987 -34.324 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -33.099 27.208 -33.457 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -28.318 35.249 -48.642 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -27.468 35.670 -48.514 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -28.313 34.509 -48.034 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -27.924 33.302 -46.818 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -28.650 32.823 -46.420 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -27.343 33.508 -46.086 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -30.137 31.823 -46.255 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -30.287 30.878 -46.275 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -30.491 32.104 -45.411 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -30.427 29.406 -47.793 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -30.147 28.499 -47.668 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -29.668 29.840 -48.182 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -27.983 26.813 -35.878 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -28.900 27.084 -35.914 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -27.860 26.278 -36.662 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -30.895 41.725 -46.144 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -30.242 41.378 -46.752 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -30.384 42.214 -45.498 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -36.245 41.028 -36.383 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -36.060 40.694 -35.505 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -35.398 41.337 -36.705 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -33.900 42.313 -37.139 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -33.223 41.681 -37.379 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -33.578 42.715 -36.331 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -35.976 42.373 -41.089 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -36.433 42.902 -41.743 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -35.813 42.976 -40.364 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -33.649 41.251 -40.144 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -34.553 41.416 -40.410 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -33.220 42.104 -40.210 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -31.044 42.821 -39.849 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -31.226 43.737 -40.060 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -30.868 42.411 -40.696 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -35.552 26.352 -43.736 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -36.227 25.723 -43.481 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -34.988 25.868 -44.339 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -34.147 34.142 -27.100 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -34.058 35.086 -27.232 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -34.786 33.867 -27.758 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -31.508 36.336 -25.379 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -31.949 35.616 -24.929 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -31.521 37.057 -24.749 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -36.825 35.830 -23.275 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -36.521 35.144 -23.869 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -36.103 35.948 -22.657 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -34.350 36.743 -28.057 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -34.646 36.421 -28.908 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -34.674 37.643 -28.015 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -29.899 36.424 -19.420 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -29.759 35.833 -20.159 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -29.731 37.297 -19.776 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -35.426 33.386 -29.648 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -36.138 33.921 -29.999 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -34.735 33.442 -30.308 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -35.372 31.844 -32.609 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -34.671 31.866 -31.958 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -35.070 31.216 -33.265 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -28.057 32.764 -21.354 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -28.709 33.459 -21.265 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -27.592 32.974 -22.164 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -32.020 33.596 -28.696 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -32.752 33.824 -28.123 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -31.573 32.882 -28.241 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -39.008 37.654 -24.132 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -39.103 37.076 -24.889 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -38.279 37.283 -23.636 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -39.128 37.394 -18.463 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -39.440 38.176 -18.007 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -39.778 37.241 -19.149 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -33.149 32.758 -31.011 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -32.570 32.908 -30.264 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -32.735 33.229 -31.734 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -36.365 38.679 -18.967 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -36.278 39.505 -18.492 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -37.229 38.349 -18.718 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -36.099 27.667 -32.711 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -36.353 27.686 -31.788 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -36.356 26.795 -33.012 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -34.800 31.055 -28.546 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -35.209 31.870 -28.838 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -34.080 30.915 -29.161 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -37.264 35.455 -30.291 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -38.008 34.948 -30.614 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -37.398 35.504 -29.345 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -30.114 34.588 -21.505 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -29.472 35.045 -22.048 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -30.944 34.701 -21.967 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -33.366 28.269 -32.092 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -34.304 28.381 -32.243 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -33.069 29.126 -31.786 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -35.744 35.639 -19.054 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -36.090 35.258 -18.248 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -35.944 36.573 -18.983 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -32.648 30.136 -30.431 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -31.756 29.999 -30.112 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -32.591 30.927 -30.968 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -35.138 36.914 -31.266 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -35.433 37.740 -30.884 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -35.841 36.294 -31.070 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -27.763 30.346 -30.737 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -28.317 29.950 -31.409 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -27.662 31.256 -31.014 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -27.799 36.146 -17.900 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -28.651 36.384 -18.267 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -27.209 36.129 -18.653 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -32.307 33.940 -23.250 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -33.235 33.708 -23.277 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -31.856 33.163 -23.580 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -39.764 38.268 -27.117 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -39.237 39.041 -27.318 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -40.644 38.493 -27.419 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -37.822 40.080 -21.226 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -37.459 40.935 -21.459 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -37.290 39.788 -20.485 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -39.653 40.953 -27.996 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -40.603 41.058 -27.944 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -39.302 41.773 -27.651 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -34.278 36.179 -21.525 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -34.704 35.952 -20.699 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -33.697 35.441 -21.708 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -37.984 38.220 -34.004 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -37.745 37.472 -34.552 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -38.253 37.832 -33.172 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -39.047 37.790 -31.548 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -38.900 37.270 -30.758 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -39.050 38.697 -31.242 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -36.309 39.488 -30.799 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -37.126 39.985 -30.746 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -35.780 39.963 -31.439 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -38.971 40.531 -30.817 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -38.810 41.331 -31.318 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -39.168 40.838 -29.932 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -35.946 40.083 -33.866 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -36.590 39.452 -33.544 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -35.184 39.552 -34.098 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -32.338 35.352 -19.091 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -31.593 35.940 -19.211 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -33.095 35.934 -19.028 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -38.167 32.025 -33.206 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -38.347 31.871 -34.134 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -37.216 32.133 -33.162 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -34.929 34.146 -15.835 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -33.976 34.230 -15.863 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -35.089 33.435 -15.216 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -31.883 33.443 -17.192 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -32.164 34.152 -17.770 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -30.940 33.370 -17.343 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -38.269 42.716 -32.205 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -37.336 42.874 -32.061 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -38.533 43.391 -32.830 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -29.619 36.992 -15.300 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -30.485 36.887 -14.906 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -29.243 37.751 -14.853 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -27.924 33.302 -27.962 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -28.650 32.823 -27.564 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -27.343 33.508 -27.230 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -28.165 36.087 -23.014 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -27.331 35.709 -23.295 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -28.053 37.030 -23.133 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -29.307 30.443 -33.020 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -29.210 31.110 -33.700 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -29.447 29.627 -33.502 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -30.137 31.823 -27.399 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -30.287 30.878 -27.419 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -30.491 32.104 -26.555 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -29.281 33.793 -17.760 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -28.698 33.059 -17.569 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -28.717 34.565 -17.714 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -27.784 31.696 -17.076 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -28.647 31.317 -17.241 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -27.180 30.957 -17.150 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -30.059 27.851 -33.903 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -29.449 27.479 -33.266 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -30.896 27.429 -33.707 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -30.427 29.406 -28.937 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -30.147 28.499 -28.812 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -29.668 29.840 -29.326 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -36.245 41.028 -17.527 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -36.060 40.694 -16.649 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -35.398 41.337 -17.849 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -40.687 42.485 -21.409 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -41.552 42.557 -21.005 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -40.742 43.032 -22.193 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -39.061 40.688 -24.025 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -38.848 39.800 -24.312 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -38.996 40.654 -23.070 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -35.624 41.942 -31.960 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -34.758 42.308 -32.138 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -35.871 41.502 -32.773 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -35.214 33.397 -4.825 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -35.252 32.751 -4.120 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -35.537 32.931 -5.596 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -31.508 36.336 -6.523 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -31.949 35.616 -6.073 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -31.521 37.057 -5.893 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -33.684 30.224 -4.091 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -33.541 29.277 -4.071 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -33.790 30.431 -5.020 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -32.807 28.456 -8.418 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -32.161 28.127 -7.793 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -32.297 28.974 -9.041 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -31.043 27.747 -6.437 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -31.258 26.981 -5.905 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -30.387 28.219 -5.924 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -30.996 38.176 -4.175 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -31.938 38.234 -4.014 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -30.720 39.082 -4.312 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -32.744 39.957 -7.550 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -32.319 39.250 -8.035 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -32.427 40.758 -7.967 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -31.585 37.858 -9.041 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -31.842 37.168 -9.653 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -31.514 37.415 -8.196 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -32.020 33.596 -9.840 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -32.752 33.824 -9.267 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -31.573 32.882 -9.385 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -32.123 31.770 -0.772 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -32.043 32.533 -0.200 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -32.724 32.049 -1.463 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -28.261 38.874 -13.965 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -28.188 39.813 -13.795 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -27.356 38.569 -14.022 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -32.849 41.605 -13.302 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -32.474 40.861 -13.773 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -32.845 41.335 -12.384 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -33.180 41.531 -10.553 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -34.115 41.631 -10.374 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -32.900 40.822 -9.975 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -32.435 28.930 -0.286 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -32.949 28.804 0.511 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -32.590 29.842 -0.531 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -35.698 31.230 1.798 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -36.261 30.526 2.118 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -34.872 31.110 2.265 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -33.796 30.501 -6.876 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -33.991 31.106 -7.591 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -33.614 29.667 -7.311 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -34.532 32.139 -2.205 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -34.208 31.508 -2.848 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -34.972 31.604 -1.544 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -33.349 27.301 -4.157 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -34.026 27.432 -3.493 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -33.835 27.146 -4.967 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -30.062 42.973 2.120 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -29.862 43.397 1.285 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -29.406 43.316 2.727 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -30.114 34.588 -2.649 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -29.472 35.045 -3.192 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -30.944 34.701 -3.111 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -35.744 35.639 -0.198 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -36.090 35.258 0.608 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -35.944 36.573 -0.127 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -32.648 30.136 -11.575 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -31.756 29.999 -11.256 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -32.591 30.927 -12.112 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -38.114 32.728 1.862 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -38.410 32.562 0.967 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -37.183 32.508 1.852 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -33.494 38.101 -0.248 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -34.395 38.284 -0.516 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -33.460 38.360 0.673 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -27.763 30.346 -11.881 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -28.317 29.950 -12.553 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -27.662 31.256 -12.158 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -29.467 39.132 -11.416 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -29.840 38.306 -11.106 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -29.190 38.949 -12.313 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -32.307 33.940 -4.394 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -33.235 33.708 -4.421 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -31.856 33.163 -4.724 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -34.278 36.179 -2.669 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -34.704 35.952 -1.843 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -33.697 35.441 -2.852 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -32.075 37.108 -13.595 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -31.722 36.728 -12.791 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -33.024 37.015 -13.509 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -31.619 40.731 -0.200 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -32.221 40.176 -0.695 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -31.338 41.398 -0.826 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -31.209 35.781 -11.369 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -31.486 35.053 -10.813 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -30.282 35.900 -11.163 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -37.984 38.220 -15.148 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -37.745 37.472 -15.696 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -38.253 37.832 -14.316 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -34.762 27.705 -1.903 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -34.064 27.779 -1.253 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -35.143 26.841 -1.748 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -36.242 30.071 -0.786 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -36.123 30.645 -0.029 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -35.587 29.383 -0.671 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -30.038 27.978 0.049 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -30.954 28.241 -0.039 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -29.702 27.975 -0.848 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -31.436 31.729 -5.855 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -32.233 31.314 -6.184 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -30.991 31.038 -5.364 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -30.349 40.985 -4.233 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -30.505 41.663 -4.890 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -29.417 41.057 -4.030 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -35.946 40.083 -15.010 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -36.590 39.452 -14.688 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -35.184 39.552 -15.242 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -33.461 38.955 2.344 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -33.812 38.099 2.587 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -32.735 39.098 2.951 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -31.342 39.900 -14.776 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -31.059 39.106 -14.323 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -30.602 40.133 -15.337 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -38.073 35.436 2.382 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -38.401 35.707 1.524 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -37.921 34.495 2.294 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -35.035 36.857 -15.183 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -35.303 37.037 -14.282 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -35.241 35.931 -15.314 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -32.338 35.352 -0.235 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -31.593 35.940 -0.355 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -33.095 35.934 -0.172 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -28.777 34.380 -14.905 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -29.050 33.955 -15.718 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -28.737 35.311 -15.122 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -37.615 32.839 -1.442 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -36.864 32.683 -2.015 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -37.954 33.691 -1.718 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -37.127 29.178 2.313 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -37.363 28.958 3.215 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -37.910 28.971 1.804 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -34.411 28.305 1.389 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -35.359 28.337 1.521 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -34.099 27.680 2.043 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -27.633 41.635 -4.004 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -27.655 41.820 -3.065 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -26.943 42.204 -4.345 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -28.070 41.202 -1.082 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -28.557 40.467 -1.453 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -27.521 40.809 -0.404 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -29.619 36.992 3.556 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -30.485 36.887 3.950 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -29.243 37.751 4.003 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -28.318 35.249 -10.930 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -27.468 35.670 -10.802 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -28.313 34.509 -10.322 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -29.678 38.965 -1.851 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -30.326 39.290 -1.226 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -30.196 38.525 -2.526 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -27.656 33.203 -12.715 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -28.177 33.560 -13.434 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -27.689 33.878 -12.037 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -30.137 31.823 -8.543 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -30.287 30.878 -8.563 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -30.491 32.104 -7.699 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -30.427 29.406 -10.081 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -30.147 28.499 -9.956 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -29.668 29.840 -10.470 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -29.813 26.669 -10.032 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -29.631 26.220 -9.207 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -30.413 26.084 -10.496 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -27.947 26.736 -13.504 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -27.534 26.015 -13.980 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -27.265 27.406 -13.446 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -30.895 41.725 -8.432 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -30.242 41.378 -9.040 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -30.384 42.214 -7.786 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -31.044 42.821 -2.137 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -31.226 43.737 -2.348 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -30.868 42.411 -2.984 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -30.410 24.459 -5.912 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -29.806 25.007 -6.413 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -31.279 24.779 -6.152 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -28.683 25.598 -7.578 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -28.071 25.084 -8.105 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -28.300 26.476 -7.555 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -33.089 24.943 -6.740 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -33.013 25.038 -7.689 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -33.365 24.035 -6.611 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -35.624 41.942 -13.104 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -34.758 42.308 -13.282 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -35.871 41.502 -13.917 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -32.873 24.183 3.033 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -32.797 23.757 3.887 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -31.980 24.197 2.691 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -29.697 40.256 1.726 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -30.479 40.070 1.206 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -29.769 41.185 1.943 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -34.147 34.142 10.612 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -34.058 35.086 10.480 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -34.786 33.867 9.954 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -35.214 33.397 14.031 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -35.252 32.751 14.736 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -35.537 32.931 13.260 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -31.508 36.336 12.333 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -31.949 35.616 12.783 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -31.521 37.057 12.963 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -33.684 30.224 14.765 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -33.541 29.277 14.785 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -33.790 30.431 13.836 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -34.350 36.743 9.655 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -34.646 36.421 8.804 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -34.674 37.643 9.697 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -30.996 38.176 14.681 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -31.938 38.234 14.842 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -30.720 39.082 14.544 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -30.696 26.462 16.098 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -31.432 27.073 16.060 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -30.012 26.877 15.572 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -37.693 24.549 13.564 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -37.810 23.600 13.510 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -38.548 24.881 13.837 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -31.585 37.858 9.815 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -31.842 37.168 9.203 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -31.514 37.415 10.660 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -35.426 33.386 8.064 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -36.138 33.921 7.713 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -34.735 33.442 7.404 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -28.057 32.764 16.358 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -28.709 33.459 16.447 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -27.592 32.974 15.548 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -32.123 31.770 18.084 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -32.043 32.533 18.656 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -32.724 32.049 17.393 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -28.261 38.874 4.891 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -28.188 39.813 5.061 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -27.356 38.569 4.834 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -30.192 30.598 20.349 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -30.599 31.079 19.629 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -30.151 29.693 20.042 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -35.761 25.174 17.716 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -35.341 24.759 18.469 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -36.694 24.996 17.833 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -32.435 28.930 18.570 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -32.949 28.804 19.367 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -32.590 29.842 18.325 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -36.099 27.667 5.001 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -36.353 27.686 5.924 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -36.356 26.795 4.700 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -34.800 31.055 9.166 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -35.209 31.870 8.874 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -34.080 30.915 8.551 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -33.796 30.501 11.980 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -33.991 31.106 11.265 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -33.614 29.667 11.545 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -37.754 28.066 11.435 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -38.665 28.123 11.724 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -37.249 28.006 12.246 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -36.434 30.854 13.322 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -35.870 30.307 12.775 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -36.582 30.332 14.111 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -37.808 29.242 15.736 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -38.643 29.696 15.846 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -37.284 29.518 16.488 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -37.264 35.455 7.421 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -38.008 34.948 7.098 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -37.398 35.504 8.367 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -30.114 34.588 16.207 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -29.472 35.045 15.664 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -30.944 34.701 15.745 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -35.138 36.914 6.446 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -35.433 37.740 6.828 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -35.841 36.294 6.642 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -27.799 36.146 19.812 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -28.651 36.384 19.445 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -27.209 36.129 19.059 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -29.467 39.132 7.440 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -29.840 38.306 7.750 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -29.190 38.949 6.543 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -32.307 33.940 14.462 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -33.235 33.708 14.435 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -31.856 33.163 14.132 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -32.075 37.108 5.261 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -31.722 36.728 6.065 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -33.024 37.015 5.347 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -27.571 41.588 5.462 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -26.828 42.174 5.322 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -28.266 42.156 5.795 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -34.762 27.705 16.953 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -34.064 27.779 17.603 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -35.143 26.841 17.108 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -36.778 29.085 8.885 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -35.966 29.589 8.931 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -37.023 28.940 9.799 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -35.894 26.166 9.823 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -36.241 26.784 10.468 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -35.236 26.667 9.342 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -30.038 27.978 18.905 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -30.954 28.241 18.817 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -29.702 27.975 18.008 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -31.342 39.900 4.080 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -31.059 39.106 4.533 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -30.602 40.133 3.519 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -35.035 36.857 3.673 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -35.303 37.037 4.574 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -35.241 35.931 3.542 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -39.238 33.782 6.243 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -39.697 33.298 6.929 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -38.983 33.114 5.607 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -38.167 32.025 4.506 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -38.347 31.871 3.578 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -37.216 32.133 4.550 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -28.165 36.087 14.698 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -27.331 35.709 14.417 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -28.053 37.030 14.579 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -29.281 33.793 19.952 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -28.698 33.059 20.143 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -28.717 34.565 19.998 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -27.784 31.696 20.636 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -28.647 31.317 20.471 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -27.180 30.957 20.562 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -29.786 30.724 16.987 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -30.629 30.992 17.353 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -29.343 31.546 16.776 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -27.983 26.813 20.690 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -28.900 27.084 20.654 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -27.860 26.278 19.906 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -28.982 24.903 18.509 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -29.795 25.228 18.121 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -28.749 24.143 17.976 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -38.646 24.913 10.467 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -37.772 25.301 10.437 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -38.782 24.698 11.390 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -37.502 26.993 7.357 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -37.324 26.347 8.040 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -37.556 27.827 7.824 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -27.763 30.346 25.831 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -28.317 29.950 25.159 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -27.662 31.256 25.554 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -28.777 34.380 22.807 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -29.050 33.955 21.994 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -28.737 35.311 22.590 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -27.656 33.203 24.997 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -28.177 33.560 24.278 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -27.689 33.878 25.675 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -29.307 30.443 23.548 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -29.210 31.110 22.868 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -29.447 29.627 23.066 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -28.162 46.287 -41.270 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -28.113 46.897 -40.534 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -27.736 46.748 -41.993 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -27.770 47.765 -39.034 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -28.459 48.423 -39.129 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -27.755 47.568 -38.097 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -30.696 45.318 -40.470 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -31.432 45.929 -40.508 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -30.012 45.733 -40.996 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -30.192 49.454 -36.219 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -30.599 49.935 -36.939 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -30.151 48.549 -36.526 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -32.435 47.786 -37.998 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -32.949 47.660 -37.201 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -32.590 48.698 -38.243 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -30.038 46.834 -37.663 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -30.954 47.097 -37.751 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -29.702 46.831 -38.560 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -33.199 49.510 -34.126 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -33.007 48.579 -34.237 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -32.342 49.935 -34.136 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -34.411 47.161 -36.323 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -35.359 47.193 -36.191 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -34.099 46.536 -35.669 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -32.777 45.795 -34.318 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -32.874 44.843 -34.324 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -33.099 46.064 -33.457 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -27.784 50.552 -35.932 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -28.647 50.173 -36.097 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -27.180 49.813 -36.006 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -30.410 43.315 -43.624 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -29.806 43.863 -44.125 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -31.279 43.635 -43.864 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -28.683 44.454 -45.290 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -28.071 43.940 -45.817 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -28.300 45.332 -45.267 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -33.089 43.799 -44.452 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -33.013 43.894 -45.401 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -33.365 42.891 -44.323 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -32.873 43.039 -34.679 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -32.797 42.613 -33.825 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -31.980 43.053 -35.021 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -33.684 49.080 -22.947 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -33.541 48.133 -22.927 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -33.790 49.287 -23.876 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -40.529 47.181 -25.675 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -40.486 48.041 -26.093 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -40.987 46.629 -26.308 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -32.807 47.312 -27.274 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -32.161 46.983 -26.649 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -32.297 47.830 -27.897 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -37.693 43.405 -24.148 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -37.810 42.456 -24.202 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -38.548 43.737 -23.875 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -28.057 51.620 -21.354 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -28.709 52.315 -21.265 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -27.592 51.830 -22.164 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -32.123 50.626 -19.628 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -32.043 51.389 -19.056 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -32.724 50.905 -20.319 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -30.192 49.454 -17.363 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -30.599 49.935 -18.083 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -30.151 48.549 -17.670 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -40.424 44.308 -23.370 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -41.285 44.221 -23.778 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -40.446 45.164 -22.943 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -32.435 47.786 -19.142 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -32.949 47.660 -18.345 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -32.590 48.698 -19.387 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -36.099 46.523 -32.711 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -36.353 46.542 -31.788 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -36.356 45.651 -33.012 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -34.800 49.911 -28.546 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -35.209 50.726 -28.838 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -34.080 49.771 -29.161 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -35.698 50.086 -17.058 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -36.261 49.382 -16.738 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -34.872 49.966 -16.591 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -33.796 49.357 -25.732 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -33.991 49.962 -26.447 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -33.614 48.523 -26.167 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -37.754 46.922 -26.277 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -38.665 46.979 -25.988 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -37.249 46.862 -25.466 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -33.349 46.157 -23.013 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -34.026 46.288 -22.349 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -33.835 46.002 -23.823 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -36.434 49.710 -24.390 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -35.870 49.163 -24.937 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -36.582 49.188 -23.601 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -37.808 48.098 -21.976 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -38.643 48.552 -21.866 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -37.284 48.374 -21.224 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -30.114 53.444 -21.505 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -29.472 53.901 -22.048 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -30.944 53.557 -21.967 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -33.366 47.125 -32.092 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -34.304 47.237 -32.243 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -33.069 47.982 -31.786 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -32.648 48.992 -30.431 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -31.756 48.855 -30.112 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -32.591 49.783 -30.968 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -27.763 49.202 -30.737 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -28.317 48.806 -31.409 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -27.662 50.112 -31.014 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -27.799 55.002 -17.900 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -28.651 55.240 -18.267 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -27.209 54.985 -18.653 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -33.978 46.213 -29.662 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -33.758 46.685 -30.465 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -33.420 46.608 -28.991 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -36.778 47.941 -28.827 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -35.966 48.445 -28.781 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -37.023 47.796 -27.913 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -36.242 48.927 -19.642 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -36.123 49.501 -18.885 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -35.587 48.239 -19.527 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -31.436 50.585 -24.711 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -32.233 50.170 -25.040 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -30.991 49.894 -24.220 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -39.197 46.256 -20.538 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -38.661 46.707 -21.190 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -40.049 46.148 -20.960 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -33.199 49.510 -15.270 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -33.007 48.579 -15.381 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -32.342 49.935 -15.280 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -31.883 52.299 -17.192 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -32.164 53.008 -17.770 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -30.940 52.226 -17.343 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -38.391 43.712 -20.106 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -38.489 44.659 -20.212 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -39.134 43.340 -20.582 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -37.127 48.034 -16.543 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -37.363 47.814 -15.641 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -37.910 47.827 -17.052 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -34.411 47.161 -17.467 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -35.359 47.193 -17.335 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -34.099 46.536 -16.813 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -32.777 45.795 -15.462 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -32.874 44.843 -15.468 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -33.099 46.064 -14.601 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -38.169 43.006 -17.435 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -37.457 42.366 -17.449 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -38.270 43.273 -18.349 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -37.816 44.689 -15.381 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -37.947 44.213 -16.202 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -38.415 45.433 -15.437 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -29.307 49.299 -33.020 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -29.210 49.966 -33.700 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -29.447 48.483 -33.502 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -29.281 52.649 -17.760 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -28.698 51.915 -17.569 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -28.717 53.421 -17.714 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -30.427 48.262 -28.937 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -30.147 47.355 -28.812 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -29.668 48.696 -29.326 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -29.815 48.843 -23.501 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -28.882 49.055 -23.535 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -30.050 48.945 -22.578 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -29.786 49.580 -20.725 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -30.629 49.848 -20.359 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -29.343 50.402 -20.936 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -38.646 43.769 -27.245 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -37.772 44.157 -27.275 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -38.782 43.554 -26.322 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -37.502 45.849 -30.355 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -37.324 45.203 -29.672 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -37.556 46.683 -29.888 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -28.162 46.287 -3.558 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -28.113 46.897 -2.822 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -27.736 46.748 -4.281 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -27.770 47.765 -1.322 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -28.459 48.423 -1.417 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -27.755 47.568 -0.385 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -31.043 46.603 -6.437 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -31.258 45.837 -5.905 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -30.387 47.075 -5.924 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -30.696 45.318 -2.758 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -31.432 45.929 -2.796 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -30.012 45.733 -3.284 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -29.451 43.364 -12.342 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -30.350 43.503 -12.047 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -29.199 44.195 -12.744 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -36.099 46.523 -13.855 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -36.353 46.542 -12.932 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -36.356 45.651 -14.156 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -33.366 47.125 -13.236 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -34.304 47.237 -13.387 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -33.069 47.982 -12.930 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -27.763 49.202 -11.881 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -28.317 48.806 -12.553 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -27.662 50.112 -12.158 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -28.777 53.236 -14.905 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -29.050 52.811 -15.718 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -28.737 54.167 -15.122 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -27.656 52.059 -12.715 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -28.177 52.416 -13.434 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -27.689 52.734 -12.037 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -29.307 49.299 -14.164 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -29.210 49.966 -14.844 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -29.447 48.483 -14.646 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -30.059 46.707 -15.047 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -29.449 46.335 -14.410 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -30.896 46.285 -14.851 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -30.427 48.262 -10.081 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -30.147 47.355 -9.956 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -29.668 48.696 -10.470 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -29.815 48.843 -4.645 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -28.882 49.055 -4.679 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -30.050 48.945 -3.722 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -27.503 43.560 3.485 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -27.153 42.906 2.879 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -27.356 44.397 3.045 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -29.813 45.525 -10.032 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -29.631 45.076 -9.207 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -30.413 44.940 -10.496 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -27.947 45.592 -13.504 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -27.534 44.871 -13.980 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -27.265 46.262 -13.446 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -28.982 43.759 -0.347 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -29.795 44.084 -0.735 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -28.749 42.999 -0.880 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -30.410 43.315 -5.912 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -29.806 43.863 -6.413 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -31.279 43.635 -6.152 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -31.736 43.825 -11.047 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -32.439 44.439 -11.257 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -32.181 42.987 -10.916 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -12.652 -1.376 -6.523 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -13.093 -2.096 -6.073 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -12.665 -0.655 -5.893 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -15.541 3.729 -6.311 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -14.921 3.052 -6.584 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -15.749 3.511 -5.403 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -12.140 0.464 -4.175 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -13.082 0.522 -4.014 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -11.864 1.370 -4.312 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -13.888 2.245 -7.550 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -13.463 1.538 -8.035 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -13.571 3.046 -7.967 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -12.729 0.146 -9.041 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -12.986 -0.544 -9.653 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -12.658 -0.297 -8.196 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -9.201 -4.948 -2.498 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -9.853 -4.253 -2.409 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -8.736 -4.738 -3.308 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -13.164 -4.116 -9.840 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -13.896 -3.888 -9.267 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -12.717 -4.830 -9.385 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -13.267 -5.942 -0.772 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -13.187 -5.179 -0.200 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -13.868 -5.663 -1.463 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -14.843 0.786 -3.590 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -15.084 1.448 -2.942 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -15.041 -0.048 -3.165 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -9.405 1.162 -13.965 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -9.332 2.101 -13.795 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -8.500 0.857 -14.022 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -11.336 -7.114 1.493 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -11.743 -6.633 0.773 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -11.295 -8.019 1.186 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -11.258 -3.124 -2.649 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -10.616 -2.667 -3.192 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -12.088 -3.011 -3.111 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -14.638 0.389 -0.248 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -15.539 0.572 -0.516 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -14.604 0.648 0.673 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -8.907 -7.366 -11.881 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -9.461 -7.762 -12.553 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -8.806 -6.456 -12.158 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -10.611 1.420 -11.416 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -10.984 0.594 -11.106 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -10.334 1.237 -12.313 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -13.451 -3.772 -4.394 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -14.379 -4.004 -4.421 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -13.000 -4.549 -4.724 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -15.422 -1.533 -2.669 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -15.848 -1.760 -1.843 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -14.841 -2.271 -2.852 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -8.715 3.876 -13.394 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -7.972 4.462 -13.534 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -9.410 4.444 -13.061 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -12.353 -1.931 -11.369 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -12.630 -2.659 -10.813 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -11.426 -1.812 -11.163 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -12.580 -5.983 -5.855 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -13.377 -6.398 -6.184 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -12.135 -6.674 -5.364 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -14.605 1.243 2.344 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -14.956 0.387 2.587 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -13.879 1.386 2.951 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -13.482 -2.360 -0.235 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -12.737 -1.772 -0.355 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -14.239 -1.778 -0.172 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -9.921 -3.332 -14.905 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -10.194 -3.757 -15.718 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -9.881 -2.401 -15.122 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -13.027 -4.269 1.664 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -13.308 -3.560 1.086 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -12.084 -4.342 1.513 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -8.800 -4.509 -12.715 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -9.321 -4.152 -13.434 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -8.833 -3.834 -12.037 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -11.281 -5.889 -8.543 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -11.431 -6.834 -8.563 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -11.635 -5.608 -7.699 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -8.928 -6.016 1.780 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -9.791 -6.395 1.615 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -8.324 -6.755 1.706 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -10.959 -7.725 -4.645 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -10.026 -7.513 -4.679 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -11.194 -7.623 -3.722 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -10.930 -6.988 -1.869 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -11.773 -6.720 -1.503 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -10.487 -6.166 -2.080 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -12.039 4.013 -8.432 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -11.386 3.666 -9.040 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -11.528 4.502 -7.786 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -17.389 3.316 1.329 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -17.204 2.982 2.207 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -16.542 3.625 1.007 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -15.044 4.601 0.573 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -14.367 3.969 0.333 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -14.722 5.003 1.381 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -14.793 3.539 -2.432 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -15.697 3.704 -2.698 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -14.364 4.392 -2.498 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -12.188 5.109 -2.137 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -12.370 6.025 -2.348 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -12.012 4.699 -2.984 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -10.059 3.793 -10.424 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -10.253 3.045 -10.989 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -10.098 4.551 -11.008 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -13.888 2.245 11.306 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -13.463 1.538 10.821 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -13.571 3.046 10.889 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -12.729 0.146 9.815 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -12.986 -0.544 9.203 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -12.658 -0.297 10.660 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -16.567 1.783 10.136 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -16.093 2.078 10.914 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -17.130 2.521 9.903 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -17.095 4.739 8.551 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -17.170 4.618 7.605 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -17.062 5.689 8.670 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -14.324 3.819 8.303 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -15.259 3.919 8.482 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -14.044 3.110 8.881 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -12.816 -3.921 4.331 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -12.774 -4.144 3.401 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -11.967 -3.523 4.521 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -16.282 -0.798 6.446 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -16.577 0.028 6.828 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -16.985 -1.418 6.642 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -10.611 1.420 7.440 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -10.984 0.594 7.750 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -10.334 1.237 6.543 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -13.219 -0.604 5.261 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -12.866 -0.984 6.065 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -14.168 -0.697 5.347 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -12.353 -1.931 7.487 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -12.630 -2.659 8.043 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -11.426 -1.812 7.693 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -17.453 1.776 6.913 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -18.270 2.273 6.966 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -16.924 2.251 6.273 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -11.493 3.273 14.623 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -11.649 3.951 13.966 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -10.561 3.345 14.826 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -17.090 2.371 3.846 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -17.734 1.740 4.168 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -16.328 1.840 3.614 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -16.179 -0.855 3.673 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -16.447 -0.675 4.574 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -16.385 -1.781 3.542 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -9.921 -3.332 3.951 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -10.194 -3.757 3.138 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -9.881 -2.401 3.734 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -19.413 5.004 5.507 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -18.480 5.162 5.651 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -19.677 5.679 4.882 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -8.777 3.923 14.852 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -8.799 4.108 15.791 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -8.087 4.492 14.511 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -9.214 3.490 17.774 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -9.701 2.755 17.403 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -8.665 3.097 18.452 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -9.462 -2.463 7.926 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -8.612 -2.042 8.054 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -9.457 -3.203 8.534 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -8.800 -4.509 6.141 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -9.321 -4.152 5.422 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -8.833 -3.834 6.819 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -10.451 -7.269 4.692 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -10.354 -6.602 4.012 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -10.591 -8.085 4.210 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -12.039 4.013 10.424 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -11.386 3.666 9.816 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -11.528 4.502 11.070 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -12.188 5.109 16.719 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -12.370 6.025 16.508 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -12.012 4.699 15.872 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -16.768 4.230 5.752 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -15.902 4.596 5.574 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -17.015 3.790 4.939 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -21.182 21.719 -15.241 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -20.414 21.260 -14.900 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -21.203 21.493 -16.171 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -17.389 22.172 -17.527 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -17.204 21.838 -16.649 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -16.542 22.481 -17.849 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -15.291 15.286 -8.244 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -15.202 16.230 -8.376 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -15.930 15.011 -8.902 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -16.358 14.541 -4.825 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -16.396 13.895 -4.120 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -16.681 14.075 -5.596 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -23.066 18.606 -4.697 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -23.436 17.804 -5.066 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -22.125 18.437 -4.650 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -9.306 8.575 -3.558 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -9.257 9.185 -2.822 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -8.880 9.036 -4.281 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -13.951 9.600 -8.418 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -13.305 9.271 -7.793 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -13.441 10.118 -9.041 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -19.897 13.416 -6.841 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -19.281 12.890 -6.332 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -20.483 12.776 -7.245 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -8.914 10.053 -1.322 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -9.603 10.711 -1.417 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -8.899 9.856 -0.385 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -20.294 16.063 -2.457 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -21.034 16.661 -2.354 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -19.580 16.617 -2.773 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -12.187 8.891 -6.437 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -12.402 8.125 -5.905 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -11.531 9.363 -5.924 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -21.886 18.027 -1.670 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -21.892 18.906 -2.048 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -22.740 17.944 -1.245 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -16.570 14.530 -10.792 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -17.282 15.065 -11.143 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -15.879 14.586 -11.452 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -13.164 14.740 -9.840 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -13.896 14.968 -9.267 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -12.717 14.026 -9.385 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -20.152 18.798 -5.276 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -20.247 18.220 -6.033 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -19.423 18.427 -4.780 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -21.152 14.139 -4.324 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -20.587 14.260 -5.087 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -20.833 14.776 -3.685 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -14.293 13.902 -12.155 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -13.714 14.052 -11.408 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -13.879 14.373 -12.878 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -23.352 14.736 -0.378 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -23.282 15.387 0.320 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -24.243 14.839 -0.713 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -26.685 19.583 -4.669 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -25.739 19.439 -4.688 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -26.798 20.367 -4.132 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -13.993 22.749 -13.302 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -13.618 22.005 -13.773 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -13.989 22.479 -12.384 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -24.187 18.126 -0.510 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -23.970 17.765 0.350 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -25.042 17.752 -0.720 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -16.905 6.318 -1.140 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -16.485 5.903 -0.387 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -17.838 6.140 -1.023 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -15.944 12.199 -9.690 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -16.353 13.014 -9.982 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -15.224 12.059 -10.305 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -23.608 16.591 1.728 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -22.875 16.845 2.289 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -24.388 16.795 2.243 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -17.578 11.998 -5.534 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -17.014 11.451 -6.081 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -17.726 11.476 -4.745 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -18.952 10.386 -3.120 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -19.787 10.840 -3.010 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -18.428 10.662 -2.368 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -18.408 16.599 -11.435 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -19.152 16.092 -11.758 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -18.542 16.648 -10.489 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -13.792 11.280 -11.575 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -12.900 11.143 -11.256 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -13.735 12.071 -12.112 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -23.283 15.894 -5.666 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -22.538 15.892 -6.267 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -23.205 15.070 -5.184 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -16.282 18.058 -12.410 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -16.577 18.884 -12.028 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -16.985 17.438 -12.214 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -10.611 20.276 -11.416 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -10.984 19.450 -11.106 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -10.334 20.093 -12.313 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -20.908 19.412 -8.261 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -20.381 20.185 -8.462 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -21.788 19.637 -8.563 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -19.481 17.075 -8.685 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -19.722 18.000 -8.643 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -20.221 16.616 -8.289 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -13.219 18.252 -13.595 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -12.866 17.872 -12.791 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -14.168 18.159 -13.509 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -12.353 16.925 -11.369 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -12.630 16.197 -10.813 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -11.426 17.044 -11.163 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -24.990 20.913 -2.358 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -24.773 19.981 -2.389 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -24.743 21.187 -1.474 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -19.128 19.364 -15.148 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -18.889 18.616 -15.696 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -19.397 18.976 -14.316 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -20.191 18.934 -12.692 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -20.044 18.414 -11.902 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -20.194 19.841 -12.386 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -15.906 8.849 -1.903 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -15.208 8.923 -1.253 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -16.287 7.985 -1.748 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -17.453 20.632 -11.943 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -18.270 21.129 -11.890 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -16.924 21.107 -12.583 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -17.386 11.215 -0.786 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -17.267 11.789 -0.029 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -16.731 10.527 -0.671 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -20.115 21.675 -11.961 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -19.954 22.475 -12.462 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -20.312 21.982 -11.076 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -23.122 18.801 -13.285 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -22.530 19.500 -13.009 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -22.663 18.368 -14.004 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -25.068 20.187 -9.335 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -25.900 20.660 -9.308 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -24.522 20.697 -9.934 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -17.090 21.227 -15.010 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -17.734 20.596 -14.688 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -16.328 20.696 -15.242 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -12.486 21.044 -14.776 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -12.203 20.250 -14.323 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -11.746 21.277 -15.337 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -25.872 16.610 2.949 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -25.728 15.708 2.663 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -26.645 16.896 2.461 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -25.040 13.810 2.369 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -24.632 12.953 2.248 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -25.300 13.825 3.290 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -21.093 12.819 -0.257 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -21.711 13.494 0.024 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -20.749 13.140 -1.090 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -20.753 10.174 0.826 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -20.603 9.445 0.223 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -20.751 10.951 0.267 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -18.759 13.983 -1.442 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -18.008 13.827 -2.015 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -19.098 14.835 -1.718 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -22.275 11.372 2.737 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -23.042 10.840 2.527 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -21.596 11.062 2.138 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -18.271 10.322 2.313 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -18.507 10.102 3.215 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -19.054 10.115 1.804 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -15.555 9.449 1.389 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -16.503 9.481 1.521 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -15.243 8.824 2.043 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -18.960 6.977 3.475 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -19.091 6.501 2.654 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -19.559 7.721 3.419 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -27.196 23.889 -8.789 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -27.843 23.427 -9.322 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -26.841 23.217 -8.206 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -26.326 21.970 -6.984 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -26.660 21.089 -6.812 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -26.104 22.315 -6.120 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -9.462 16.393 -10.930 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -8.612 16.814 -10.802 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -9.457 15.653 -10.322 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -9.068 14.446 -9.106 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -9.794 13.967 -8.708 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -8.487 14.652 -8.374 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -9.309 17.231 -4.158 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -8.475 16.853 -4.439 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -9.197 18.174 -4.277 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -11.281 12.967 -8.543 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -11.431 12.022 -8.563 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -11.635 13.248 -7.699 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -11.571 10.550 -10.081 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -11.291 9.643 -9.956 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -10.812 10.984 -10.470 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -10.957 7.813 -10.032 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -10.775 7.364 -9.207 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -11.557 7.228 -10.496 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -24.654 19.798 2.111 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -25.475 19.973 1.651 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -24.906 19.725 3.032 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -16.696 7.496 -6.024 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -17.371 6.867 -5.769 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -16.132 7.012 -6.627 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -11.554 5.603 -5.912 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -10.950 6.151 -6.413 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -12.423 5.923 -6.152 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -9.827 6.742 -7.578 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -9.215 6.228 -8.105 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -9.444 7.620 -7.555 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -14.233 6.087 -6.740 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -14.157 6.182 -7.689 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -14.509 5.179 -6.611 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -25.632 21.876 -11.501 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -26.317 21.838 -12.169 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -25.629 22.789 -11.213 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -16.768 23.086 -13.104 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -15.902 23.452 -13.282 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -17.015 22.646 -13.917 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -10.059 22.649 -10.424 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -10.253 21.901 -10.989 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -10.098 23.407 -11.008 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -23.814 22.796 -14.476 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -24.082 23.083 -13.603 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -23.043 22.250 -14.324 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -23.990 14.156 15.624 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -23.948 13.530 16.348 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -23.287 14.779 15.806 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -23.066 18.606 14.159 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -23.436 17.804 13.790 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -22.125 18.437 14.206 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -25.746 14.428 11.678 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -25.532 13.658 12.205 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -25.008 14.517 11.075 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -13.951 9.600 10.438 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -13.305 9.271 11.063 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -13.441 10.118 9.815 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -19.897 13.416 12.015 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -19.281 12.890 12.524 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -20.483 12.776 11.611 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -20.294 16.063 16.399 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -21.034 16.661 16.502 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -19.580 16.617 16.083 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -21.886 18.027 17.186 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -21.892 18.906 16.808 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -22.740 17.944 17.611 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -25.765 17.698 7.968 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -26.037 17.927 7.079 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -25.720 18.536 8.428 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -11.840 7.606 16.098 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -12.576 8.217 16.060 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -11.156 8.021 15.572 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -16.570 14.530 8.064 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -17.282 15.065 7.713 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -15.879 14.586 7.404 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -13.164 14.740 9.016 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -13.896 14.968 9.589 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -12.717 14.026 9.471 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -21.152 14.139 14.532 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -20.587 14.260 13.769 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -20.833 14.776 15.171 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -20.272 18.538 19.249 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -20.584 19.320 19.705 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -20.922 18.385 18.563 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -22.033 20.610 20.013 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -22.025 20.474 19.065 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -22.949 20.492 20.265 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -22.529 14.440 8.488 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -22.821 15.208 7.997 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -23.203 13.780 8.325 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -26.685 19.583 14.187 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -25.739 19.439 14.168 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -26.798 20.367 14.724 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -11.336 11.742 20.349 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -11.743 12.223 19.629 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -11.295 10.837 20.042 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -24.187 18.126 18.346 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -23.970 17.765 19.206 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -25.042 17.752 18.136 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -13.579 10.074 18.570 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -14.093 9.948 19.367 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -13.734 10.986 18.325 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -17.243 8.811 5.001 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -17.497 8.830 5.924 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -17.500 7.939 4.700 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -21.477 11.562 15.437 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -22.119 11.521 16.146 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -21.440 12.488 15.199 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -21.480 11.783 10.349 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -22.373 11.442 10.290 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -21.029 11.406 9.593 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -15.944 12.199 9.166 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -16.353 13.014 8.874 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -15.224 12.059 8.551 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -16.842 12.374 20.654 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -17.405 11.670 20.974 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -16.016 12.254 21.121 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -20.361 9.256 4.102 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -20.792 8.811 4.832 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -21.079 9.628 3.590 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -15.676 13.283 16.651 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -15.352 12.652 16.008 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -16.116 12.748 17.312 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -18.898 9.210 11.435 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -19.809 9.267 11.724 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -18.393 9.150 12.246 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -20.417 10.839 7.918 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -19.485 10.968 8.096 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -20.632 11.509 7.269 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -14.493 8.445 14.699 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -15.170 8.576 15.363 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -14.979 8.290 13.889 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -21.743 12.034 5.485 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -22.285 11.654 4.794 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -20.909 12.228 5.056 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -17.578 11.998 13.322 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -17.014 11.451 12.775 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -17.726 11.476 14.111 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -18.952 10.386 15.736 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -19.787 10.840 15.846 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -18.428 10.662 16.488 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -16.888 16.783 18.658 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -17.234 16.402 19.464 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -17.088 17.717 18.729 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -13.792 11.280 7.281 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -12.900 11.143 7.600 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -13.735 12.071 6.744 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -23.283 15.894 13.190 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -22.538 15.892 12.589 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -23.205 15.070 13.672 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -19.258 13.872 20.718 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -19.554 13.706 19.823 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -18.327 13.652 20.708 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -25.153 14.274 5.182 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -24.537 14.901 5.561 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -26.015 14.590 5.453 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -24.990 20.913 16.498 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -24.773 19.981 16.467 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -24.743 21.187 17.382 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -23.738 16.187 6.674 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -24.424 16.539 7.241 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -23.215 16.950 6.428 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -15.906 8.849 16.953 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -15.208 8.923 17.603 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -16.287 7.985 17.108 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -15.122 8.501 8.050 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -14.902 8.973 7.247 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -14.564 8.896 8.721 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -17.922 10.229 8.885 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -17.110 10.733 8.931 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -18.167 10.084 9.799 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -17.386 11.215 18.070 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -17.267 11.789 18.827 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -16.731 10.527 18.185 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -17.038 7.310 9.823 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -17.385 7.928 10.468 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -16.380 7.811 9.342 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -11.182 9.122 18.905 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -12.098 9.385 18.817 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -10.846 9.119 18.008 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -25.779 22.800 20.851 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -25.239 22.583 21.610 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -26.260 21.994 20.661 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -19.217 16.580 21.238 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -19.545 16.851 20.380 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -19.065 15.639 21.150 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -13.482 16.496 18.621 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -12.737 17.084 18.501 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -14.239 17.078 18.684 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -21.093 12.819 18.599 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -21.711 13.494 18.880 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -20.749 13.140 17.766 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -16.073 15.290 21.877 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -15.120 15.374 21.849 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -16.233 14.579 22.496 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -18.759 13.983 17.414 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -18.008 13.827 16.841 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -19.098 14.835 17.138 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -14.343 11.798 22.442 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -14.151 10.867 22.331 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -13.486 12.223 22.432 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -13.027 14.587 20.520 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -13.308 15.296 19.942 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -12.084 14.514 20.369 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -15.555 9.449 20.245 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -16.503 9.481 20.377 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -15.243 8.824 20.899 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -25.845 18.496 4.990 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -24.931 18.575 5.263 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -25.838 17.809 4.323 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -26.246 15.045 14.323 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -26.062 14.963 13.388 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -25.397 14.921 14.747 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -9.127 7.957 20.690 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -10.044 8.228 20.654 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -9.004 7.422 19.906 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -24.654 19.798 20.967 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -25.475 19.973 20.507 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -24.906 19.725 21.888 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -21.700 20.773 17.226 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -22.125 21.582 16.943 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -20.795 20.858 16.924 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -10.126 6.047 18.509 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -10.939 6.372 18.121 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -9.893 5.287 17.976 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -24.298 24.029 17.273 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -25.018 24.469 16.822 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -24.664 23.778 18.122 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -16.696 7.496 12.832 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -17.371 6.867 13.087 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -16.132 7.012 12.229 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -11.554 5.603 12.944 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -10.950 6.151 12.443 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -12.423 5.923 12.704 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -14.233 6.087 12.116 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -14.157 6.182 11.167 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -14.509 5.179 12.245 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -18.646 8.137 7.357 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -18.468 7.491 8.040 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -18.700 8.971 7.824 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -16.567 20.639 28.992 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -16.093 20.934 29.770 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -17.130 21.377 28.759 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -17.095 23.595 27.407 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -17.170 23.474 26.461 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -17.062 24.545 27.526 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -13.993 22.749 24.410 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -13.618 22.005 23.939 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -13.989 22.479 25.328 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -14.324 22.675 27.159 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -15.259 22.775 27.338 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -14.044 21.966 27.737 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -12.816 14.935 23.187 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -12.774 14.712 22.257 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -11.967 15.333 23.377 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -16.282 18.058 25.302 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -16.577 18.884 25.684 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -16.985 17.438 25.498 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -10.611 20.276 26.296 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -10.984 19.450 26.606 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -10.334 20.093 25.399 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -20.797 22.097 28.572 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -21.747 22.202 28.624 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -20.446 22.917 28.917 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -13.219 18.252 24.117 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -12.866 17.872 24.921 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -14.168 18.159 24.203 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -8.715 22.732 24.318 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -7.972 23.318 24.178 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -9.410 23.300 24.651 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -12.353 16.925 26.343 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -12.630 16.197 26.899 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -11.426 17.044 26.549 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -19.128 19.364 22.564 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -18.889 18.616 22.016 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -19.397 18.976 23.396 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -20.191 18.934 25.020 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -20.044 18.414 25.810 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -20.194 19.841 25.326 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -17.453 20.632 25.769 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -18.270 21.129 25.822 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -16.924 21.107 25.129 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -20.115 21.675 25.751 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -19.954 22.475 25.250 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -20.312 21.982 26.636 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -23.122 18.801 24.427 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -22.530 19.500 24.703 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -22.663 18.368 23.708 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -21.531 16.954 22.793 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -21.467 16.160 23.324 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -20.878 16.835 22.104 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -16.179 18.001 22.529 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -16.447 18.181 23.430 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -16.385 17.075 22.398 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -9.921 15.524 22.807 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -10.194 15.099 21.994 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -9.881 16.455 22.590 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -9.462 16.393 26.782 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -8.612 16.814 26.910 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -9.457 15.653 27.390 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -8.800 14.347 24.997 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -9.321 14.704 24.278 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -8.833 15.022 25.675 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -10.451 11.587 23.548 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -10.354 12.254 22.868 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -10.591 10.771 23.066 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -11.203 8.995 22.665 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -10.593 8.623 23.302 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -12.040 8.573 22.861 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -10.059 22.649 27.288 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -10.253 21.901 26.723 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -10.098 23.407 26.704 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -23.814 22.796 23.236 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -24.082 23.083 24.109 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -23.043 22.250 23.388 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -23.990 33.012 -40.944 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -23.948 32.386 -40.220 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -23.287 33.635 -40.762 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -23.066 37.462 -42.409 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -23.436 36.660 -42.778 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -22.125 37.293 -42.362 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -26.456 31.122 -47.016 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -26.904 31.968 -47.034 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -27.017 30.542 -47.531 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -25.746 33.284 -44.890 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -25.532 32.514 -44.363 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -25.008 33.373 -45.493 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -25.053 30.722 -43.769 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -24.399 30.172 -43.337 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -25.029 30.448 -44.685 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -20.294 34.919 -40.169 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -21.034 35.517 -40.066 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -19.580 35.473 -40.485 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -21.886 36.883 -39.382 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -21.892 37.762 -39.760 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -22.740 36.800 -38.957 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -21.152 32.995 -42.036 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -20.587 33.116 -42.799 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -20.833 33.632 -41.397 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -20.272 37.394 -37.319 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -20.584 38.176 -36.863 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -20.922 37.241 -38.005 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -22.033 39.466 -36.555 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -22.025 39.330 -37.503 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -22.949 39.348 -36.303 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -21.477 30.418 -41.131 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -22.119 30.377 -40.422 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -21.440 31.344 -41.369 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -23.727 30.738 -39.264 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -23.765 31.138 -38.396 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -24.218 29.921 -39.174 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -27.119 27.854 -45.414 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -26.488 27.825 -44.694 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -26.669 27.429 -46.144 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -23.283 34.750 -43.378 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -22.538 34.748 -43.979 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -23.205 33.926 -42.896 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -19.258 32.728 -35.850 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -19.554 32.562 -36.745 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -18.327 32.508 -35.860 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -24.641 27.964 -38.505 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -25.534 28.303 -38.572 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -24.740 27.109 -38.087 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -25.068 39.043 -47.047 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -25.900 39.516 -47.020 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -24.522 39.553 -47.646 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -21.182 40.575 -34.097 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -20.414 40.116 -33.756 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -21.203 40.349 -35.027 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -19.217 35.436 -35.330 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -19.545 35.707 -36.188 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -19.065 34.495 -35.418 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -21.093 31.675 -37.969 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -21.711 32.350 -37.688 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -20.749 31.996 -38.802 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -20.753 29.030 -36.886 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -20.603 28.301 -37.489 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -20.751 29.807 -37.445 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -18.759 32.839 -39.154 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -18.008 32.683 -39.727 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -19.098 33.691 -39.430 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -22.275 30.228 -34.975 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -23.042 29.696 -35.185 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -21.596 29.918 -35.574 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -24.094 28.149 -35.270 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -23.883 27.442 -35.881 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -24.206 27.711 -34.426 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -27.196 42.745 -46.501 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -27.843 42.283 -47.034 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -26.841 42.073 -45.918 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -26.326 40.826 -44.696 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -26.660 39.945 -44.524 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -26.104 41.171 -43.832 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -26.246 33.901 -42.245 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -26.062 33.819 -43.180 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -25.397 33.777 -41.821 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -26.648 29.172 -36.104 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -25.729 29.050 -35.868 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -27.098 28.422 -35.715 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -27.123 30.483 -42.144 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -26.631 30.262 -42.934 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -26.761 31.324 -41.863 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -21.700 39.629 -39.342 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -22.125 40.438 -39.625 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -20.795 39.714 -39.644 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -24.298 42.885 -39.295 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -25.018 43.325 -39.746 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -24.664 42.634 -38.446 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -21.831 42.485 -40.265 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -22.696 42.557 -39.861 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -21.886 43.032 -41.049 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -24.883 41.508 -42.384 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -24.902 41.083 -41.527 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -24.078 41.190 -42.793 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -22.742 40.218 -43.729 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -22.961 39.302 -43.560 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -21.918 40.358 -43.263 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -16.358 33.397 -23.681 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -16.396 32.751 -22.976 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -16.681 32.931 -24.452 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -26.456 31.122 -28.160 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -26.904 31.968 -28.178 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -27.017 30.542 -28.675 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -25.746 33.284 -26.034 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -25.532 32.514 -25.507 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -25.008 33.373 -26.637 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -17.969 35.830 -23.275 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -17.665 35.144 -23.869 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -17.247 35.948 -22.657 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -25.053 30.722 -24.913 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -24.399 30.172 -24.481 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -25.029 30.448 -25.829 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -19.897 32.272 -25.697 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -19.281 31.746 -25.188 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -20.483 31.632 -26.101 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -23.269 29.135 -23.648 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -22.656 29.768 -23.275 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -22.757 28.663 -24.305 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -21.519 34.226 -26.813 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -21.849 33.856 -27.632 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -20.931 33.556 -26.467 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -14.843 38.498 -22.446 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -15.084 39.160 -21.798 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -15.041 37.664 -22.021 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -22.529 33.296 -29.224 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -22.821 34.064 -29.715 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -23.203 32.636 -29.387 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -17.509 38.679 -18.967 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -17.422 39.505 -18.492 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -18.373 38.349 -18.718 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -17.095 42.451 -29.161 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -17.170 42.330 -30.107 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -17.062 43.401 -29.042 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -21.477 30.418 -22.275 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -22.119 30.377 -21.566 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -21.440 31.344 -22.513 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -16.842 31.230 -17.058 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -17.405 30.526 -16.738 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -16.016 31.110 -16.591 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -23.727 30.738 -20.408 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -23.765 31.138 -19.540 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -24.218 29.921 -20.318 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -25.844 28.600 -31.134 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -25.370 29.191 -31.719 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -26.562 29.131 -30.787 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -15.676 32.139 -21.061 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -15.352 31.508 -21.704 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -16.116 31.604 -20.400 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -21.743 30.890 -32.227 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -22.285 30.510 -32.918 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -20.909 31.084 -32.656 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -17.578 30.854 -24.390 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -17.014 30.307 -24.937 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -17.726 30.332 -23.601 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -18.952 29.242 -21.976 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -19.787 29.696 -21.866 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -18.428 29.518 -21.224 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -16.888 35.639 -19.054 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -17.234 35.258 -18.248 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -17.088 36.573 -18.983 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -26.275 33.211 -19.207 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -26.052 32.793 -18.375 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -26.877 32.598 -19.629 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -19.258 32.728 -16.994 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -19.554 32.562 -17.889 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -18.327 32.508 -17.004 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -14.638 38.101 -19.104 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -15.539 38.284 -19.372 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -14.604 38.360 -18.183 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -20.908 38.268 -27.117 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -20.381 39.041 -27.318 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -21.788 38.493 -27.419 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -19.481 35.931 -27.541 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -19.722 36.856 -27.499 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -20.221 35.472 -27.145 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -20.797 40.953 -27.996 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -21.747 41.058 -27.944 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -20.446 41.773 -27.651 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -15.422 36.179 -21.525 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -15.848 35.952 -20.699 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -14.841 35.441 -21.708 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -24.641 27.964 -19.649 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -25.534 28.303 -19.716 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -24.740 27.109 -19.231 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -19.128 38.220 -34.004 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -18.889 37.472 -34.552 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -19.397 37.832 -33.172 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -20.191 37.790 -31.548 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -20.044 37.270 -30.758 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -20.194 38.697 -31.242 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -23.738 35.043 -31.038 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -24.424 35.395 -30.471 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -23.215 35.806 -31.284 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -17.386 30.071 -19.642 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -17.267 30.645 -18.885 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -16.731 29.383 -19.527 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -20.115 40.531 -30.817 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -19.954 41.331 -31.318 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -20.312 40.838 -29.932 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -23.122 37.657 -32.141 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -22.530 38.356 -31.865 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -22.663 37.224 -32.860 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -24.806 30.321 -33.025 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -24.851 31.260 -32.846 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -25.694 30.085 -33.295 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -14.605 38.955 -16.512 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -14.956 38.099 -16.269 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -13.879 39.098 -15.905 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -20.382 33.782 -31.469 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -20.841 33.298 -30.783 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -20.127 33.114 -32.105 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -21.093 31.675 -19.113 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -21.711 32.350 -18.832 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -20.749 31.996 -19.946 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -19.311 32.025 -33.206 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -19.491 31.871 -34.134 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -18.360 32.133 -33.162 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -16.073 34.146 -15.835 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -15.120 34.230 -15.863 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -16.233 33.435 -15.216 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -20.753 29.030 -18.030 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -20.603 28.301 -18.633 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -20.751 29.807 -18.589 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -18.759 32.839 -20.298 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -18.008 32.683 -20.871 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -19.098 33.691 -20.574 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -14.343 30.654 -15.270 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -14.151 29.723 -15.381 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -13.486 31.079 -15.280 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -22.275 30.228 -16.119 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -23.042 29.696 -16.329 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -21.596 29.918 -16.718 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -18.271 29.178 -16.543 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -18.507 28.958 -15.641 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -19.054 28.971 -17.052 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -13.921 26.939 -15.462 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -14.018 25.987 -15.468 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -14.243 27.208 -14.601 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -24.094 28.149 -16.414 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -23.883 27.442 -17.025 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -24.206 27.711 -15.570 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -19.313 24.150 -17.435 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -18.601 23.510 -17.449 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -19.414 24.417 -18.349 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -18.960 25.833 -15.381 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -19.091 25.357 -16.202 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -19.559 26.577 -15.437 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -19.413 42.716 -32.205 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -18.480 42.874 -32.061 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -19.677 43.391 -32.830 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -26.246 33.901 -23.389 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -26.062 33.819 -24.324 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -25.397 33.777 -22.965 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -26.648 29.172 -17.248 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -25.729 29.050 -17.012 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -27.098 28.422 -16.859 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -27.123 30.483 -23.288 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -26.631 30.262 -24.078 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -26.761 31.324 -23.007 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -17.389 41.028 -17.527 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -17.204 40.694 -16.649 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -16.542 41.337 -17.849 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -15.044 42.313 -18.283 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -14.367 41.681 -18.523 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -14.722 42.715 -17.475 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -17.120 42.373 -22.233 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -17.577 42.902 -22.887 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -16.957 42.976 -21.508 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -14.793 41.251 -21.288 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -15.697 41.416 -21.554 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -14.364 42.104 -21.354 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -20.205 40.688 -24.025 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -19.992 39.800 -24.312 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -20.140 40.654 -23.070 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -22.439 24.851 -16.005 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -21.540 24.577 -16.190 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -22.825 24.108 -15.541 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -14.017 24.183 -15.823 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -13.941 23.757 -14.969 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -13.124 24.197 -16.165 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -15.541 41.441 -6.311 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -14.921 40.764 -6.584 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -15.749 41.223 -5.403 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -13.888 39.957 -7.550 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -13.463 39.250 -8.035 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -13.571 40.758 -7.967 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -12.729 37.858 -9.041 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -12.986 37.168 -9.653 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -12.658 37.415 -8.196 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -16.570 33.386 -10.792 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -17.282 33.921 -11.143 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -15.879 33.442 -11.452 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -16.516 31.844 -13.753 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -15.815 31.866 -13.102 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -16.214 31.216 -14.409 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -14.293 32.758 -12.155 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -13.714 32.908 -11.408 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -13.879 33.229 -12.878 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -16.567 39.495 -8.720 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -16.093 39.790 -7.942 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -17.130 40.233 -8.953 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -22.033 39.466 1.157 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -22.025 39.330 0.209 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -22.949 39.348 1.409 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -10.595 24.508 -12.342 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -11.494 24.647 -12.047 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -10.343 25.339 -12.744 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -13.993 41.605 -13.302 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -13.618 40.861 -13.773 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -13.989 41.335 -12.384 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -14.324 41.531 -10.553 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -15.259 41.631 -10.374 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -14.044 40.822 -9.975 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -12.816 33.791 -14.525 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -12.774 33.568 -15.455 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -11.967 34.189 -14.335 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -17.243 27.667 -13.855 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -17.497 27.686 -12.932 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -17.500 26.795 -14.156 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -20.361 28.112 -14.754 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -20.792 27.667 -14.024 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -21.079 28.484 -15.266 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -25.844 28.600 -12.278 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -25.370 29.191 -12.863 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -26.562 29.131 -11.931 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -21.743 30.890 -13.371 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -22.285 30.510 -14.062 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -20.909 31.084 -13.800 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -11.206 42.973 2.120 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -11.006 43.397 1.285 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -10.550 43.316 2.727 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -14.510 28.269 -13.236 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -15.448 28.381 -13.387 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -14.213 29.126 -12.930 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -13.792 30.136 -11.575 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -12.900 29.999 -11.256 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -13.735 30.927 -12.112 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -16.282 36.914 -12.410 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -16.577 37.740 -12.028 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -16.985 36.294 -12.214 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -8.907 30.346 -11.881 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -9.461 29.950 -12.553 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -8.806 31.256 -12.158 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -10.611 39.132 -11.416 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -10.984 38.306 -11.106 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -10.334 38.949 -12.313 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -13.219 37.108 -13.595 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -12.866 36.728 -12.791 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -14.168 37.015 -13.509 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -12.353 35.781 -11.369 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -12.630 35.053 -10.813 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -11.426 35.900 -11.163 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -15.122 27.357 -10.806 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -14.902 27.829 -11.609 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -14.564 27.752 -10.135 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -24.806 30.321 -14.169 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -24.851 31.260 -13.990 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -25.694 30.085 -14.439 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -11.493 40.985 -4.233 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -11.649 41.663 -4.890 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -10.561 41.057 -4.030 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -25.779 41.656 1.995 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -25.239 41.439 2.754 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -26.260 40.850 1.805 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -21.182 40.575 3.615 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -20.414 40.116 3.956 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -21.203 40.349 2.685 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -17.090 40.083 -15.010 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -17.734 39.452 -14.688 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -16.328 39.552 -15.242 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -16.179 36.857 -15.183 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -16.447 37.037 -14.282 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -16.385 35.931 -15.314 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -19.311 32.025 -14.350 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -19.491 31.871 -15.278 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -18.360 32.133 -14.306 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -9.921 34.380 -14.905 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -10.194 33.955 -15.718 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -9.881 35.311 -15.122 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -8.777 41.635 -4.004 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -8.799 41.820 -3.065 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -8.087 42.204 -4.345 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -9.214 41.202 -1.082 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -9.701 40.467 -1.453 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -8.665 40.809 -0.404 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -8.800 33.203 -12.715 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -9.321 33.560 -13.434 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -8.833 33.878 -12.037 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -10.451 30.443 -14.164 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -10.354 31.110 -14.844 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -10.591 29.627 -14.646 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -11.571 29.406 -10.081 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -11.291 28.499 -9.956 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -10.812 29.840 -10.470 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -10.957 26.669 -10.032 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -10.775 26.220 -9.207 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -11.557 26.084 -10.496 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -9.091 26.736 -13.504 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -8.678 26.015 -13.980 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -8.409 27.406 -13.446 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -26.810 26.741 -10.377 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -27.735 26.950 -10.507 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -26.356 27.225 -11.067 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -12.039 41.725 -8.432 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -11.386 41.378 -9.040 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -11.528 42.214 -7.786 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -17.389 41.028 1.329 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -17.204 40.694 2.207 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -16.542 41.337 1.007 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -15.044 42.313 0.573 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -14.367 41.681 0.333 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -14.722 42.715 1.381 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -14.793 41.251 -2.432 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -15.697 41.416 -2.698 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -14.364 42.104 -2.498 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -12.188 42.821 -2.137 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -12.370 43.737 -2.348 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -12.012 42.411 -2.984 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -25.533 24.784 -12.399 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -25.094 25.395 -12.990 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -26.167 25.322 -11.925 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -12.880 24.969 -11.047 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -13.583 25.583 -11.257 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -13.325 24.131 -10.916 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -23.672 26.700 -13.956 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -23.181 26.070 -14.484 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -23.049 26.996 -13.293 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -16.358 33.397 14.031 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -16.396 32.751 14.736 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -16.681 32.931 13.260 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -12.652 36.336 12.333 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -13.093 35.616 12.783 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -12.665 37.057 12.963 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -23.066 37.462 14.159 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -23.436 36.660 13.790 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -22.125 37.293 14.206 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -15.541 41.441 12.545 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -14.921 40.764 12.272 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -15.749 41.223 13.453 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -17.969 35.830 14.437 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -17.665 35.144 13.843 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -17.247 35.948 15.055 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -8.914 28.909 17.534 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -9.603 29.567 17.439 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -8.899 28.712 18.471 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -20.294 34.919 16.399 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -21.034 35.517 16.502 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -19.580 35.473 16.083 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -21.886 36.883 17.186 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -21.892 37.762 16.808 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -22.740 36.800 17.611 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -25.765 36.554 7.968 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -26.037 36.783 7.079 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -25.720 37.392 8.428 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -12.140 38.176 14.681 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -13.082 38.234 14.842 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -11.864 39.082 14.544 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -13.888 39.957 11.306 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -13.463 39.250 10.821 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -13.571 40.758 10.889 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -9.201 32.764 16.358 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -9.853 33.459 16.447 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -8.736 32.974 15.548 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -13.267 31.770 18.084 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -13.187 32.533 18.656 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -13.868 32.049 17.393 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -20.152 37.654 13.580 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -20.247 37.076 12.823 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -19.423 37.283 14.076 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -14.843 38.498 15.266 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -15.084 39.160 15.914 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -15.041 37.664 15.691 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -20.272 37.394 19.249 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -20.584 38.176 19.705 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -20.922 37.241 18.563 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -16.567 39.495 10.136 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -16.093 39.790 10.914 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -17.130 40.233 9.903 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -22.033 39.466 20.013 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -22.025 39.330 19.065 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -22.949 39.348 20.265 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -9.405 38.874 4.891 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -9.332 39.813 5.061 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -8.500 38.569 4.834 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -26.436 35.659 17.303 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -26.937 35.631 16.488 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -26.430 34.753 17.613 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -26.685 38.439 14.187 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -25.739 38.295 14.168 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -26.798 39.223 14.724 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -17.509 38.679 18.745 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -17.422 39.505 19.220 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -18.373 38.349 18.994 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -17.095 42.451 8.551 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -17.170 42.330 7.605 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -17.062 43.401 8.670 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -14.324 41.531 8.303 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -15.259 41.631 8.482 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -14.044 40.822 8.881 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -11.336 30.598 20.349 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -11.743 31.079 19.629 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -11.295 29.693 20.042 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -24.187 36.982 18.346 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -23.970 36.621 19.206 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -25.042 36.608 18.136 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -16.842 31.230 20.654 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -17.405 30.526 20.974 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -16.016 31.110 21.121 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -15.676 32.139 16.651 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -15.352 31.508 16.008 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -16.116 31.604 17.312 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -17.578 30.854 13.322 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -17.014 30.307 12.775 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -17.726 30.332 14.111 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -11.258 34.588 16.207 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -10.616 35.045 15.664 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -12.088 34.701 15.745 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -16.888 35.639 18.658 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -17.234 35.258 19.464 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -17.088 36.573 18.729 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -23.283 34.750 13.190 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -22.538 34.748 12.589 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -23.205 33.926 13.672 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -10.611 39.132 7.440 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -10.984 38.306 7.750 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -10.334 38.949 6.543 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -13.451 33.940 14.462 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -14.379 33.708 14.435 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -13.000 33.163 14.132 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -20.908 38.268 10.595 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -20.381 39.041 10.394 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -21.788 38.493 10.293 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -20.797 40.953 9.716 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -21.747 41.058 9.768 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -20.446 41.773 10.061 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -15.422 36.179 16.187 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -15.848 35.952 17.013 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -14.841 35.441 16.004 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -8.715 41.588 5.462 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -7.972 42.174 5.322 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -9.410 42.156 5.795 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -20.191 37.790 6.164 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -20.044 37.270 6.954 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -20.194 38.697 6.470 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -20.115 40.531 6.895 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -19.954 41.331 6.394 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -20.312 40.838 7.780 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -11.182 27.978 18.905 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -12.098 28.241 18.817 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -10.846 27.975 18.008 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -23.122 37.657 5.571 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -22.530 38.356 5.847 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -22.663 37.224 4.852 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -25.068 39.043 9.521 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -25.900 39.516 9.548 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -24.522 39.553 8.922 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -25.872 35.466 21.805 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -25.728 34.564 21.519 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -26.645 35.752 21.317 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -21.531 35.810 3.937 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -21.467 35.016 4.468 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -20.878 35.691 3.248 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -19.217 35.436 21.238 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -19.545 35.707 20.380 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -19.065 34.495 21.150 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -16.073 34.146 21.877 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -15.120 34.230 21.849 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -16.233 33.435 22.496 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -14.343 30.654 22.442 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -14.151 29.723 22.331 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -13.486 31.079 22.432 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -18.271 29.178 21.169 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -18.507 28.958 22.071 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -19.054 28.971 20.660 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -19.413 42.716 5.507 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -18.480 42.874 5.651 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -19.677 43.391 4.882 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -25.845 37.352 4.990 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -24.931 37.431 5.263 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -25.838 36.665 4.323 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -9.309 36.087 14.698 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -8.475 35.709 14.417 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -9.197 37.030 14.579 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -10.930 30.724 16.987 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -11.773 30.992 17.353 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -10.487 31.546 16.776 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -26.648 29.172 20.464 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -25.729 29.050 20.700 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -27.098 28.422 20.853 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -8.647 24.704 22.341 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -8.297 24.050 21.735 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -8.500 25.541 21.901 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -9.127 26.813 20.690 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -10.044 27.084 20.654 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -9.004 26.278 19.906 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -12.039 41.725 10.424 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -11.386 41.378 9.816 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -11.528 42.214 11.070 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -26.846 25.479 16.823 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -27.511 25.233 17.466 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -27.289 26.101 16.246 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -24.654 38.654 20.967 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -25.475 38.829 20.507 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -24.906 38.581 21.888 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -10.059 41.505 8.432 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -10.253 40.757 7.867 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -10.098 42.263 7.848 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -24.412 25.500 20.171 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -24.778 24.735 20.614 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -23.499 25.529 20.458 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -23.814 41.652 4.380 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -24.082 41.939 5.253 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -23.043 41.106 4.532 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -16.516 31.844 23.959 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -15.815 31.866 24.610 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -16.214 31.216 23.303 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -10.595 24.508 25.370 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -11.494 24.647 25.665 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -10.343 25.339 24.968 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -22.529 33.296 27.344 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -22.821 34.064 26.853 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -23.203 32.636 27.181 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -15.944 31.055 28.022 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -16.353 31.870 27.730 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -15.224 30.915 27.407 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -25.844 28.600 25.434 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -25.370 29.191 24.849 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -26.562 29.131 25.781 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -18.898 28.066 30.291 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -19.809 28.123 30.580 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -18.393 28.006 31.102 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -20.417 29.695 26.774 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -19.485 29.824 26.952 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -20.632 30.365 26.125 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -22.576 26.990 28.596 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -22.893 26.088 28.561 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -21.795 26.992 28.044 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -18.408 35.455 26.277 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -19.152 34.948 25.954 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -18.542 35.504 27.223 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -14.510 28.269 24.476 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -15.448 28.381 24.325 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -14.213 29.126 24.782 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -13.792 30.136 26.137 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -12.900 29.999 26.456 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -13.735 30.927 25.600 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -25.153 33.130 24.038 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -24.537 33.757 24.417 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -26.015 33.446 24.309 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -19.128 38.220 22.564 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -18.889 37.472 22.016 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -19.397 37.832 23.396 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -20.191 37.790 25.020 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -20.044 37.270 25.810 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -20.194 38.697 25.326 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -23.738 35.043 25.530 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -24.424 35.395 26.097 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -23.215 35.806 25.284 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -15.122 27.357 26.906 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -14.902 27.829 26.103 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -14.564 27.752 27.577 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -17.922 29.085 27.741 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -17.110 29.589 27.787 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -18.167 28.940 28.655 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -17.038 26.166 28.679 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -17.385 26.784 29.324 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -16.380 26.667 28.198 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -21.381 27.229 25.367 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -21.464 28.118 25.713 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -20.491 26.964 25.598 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -23.122 37.657 24.427 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -22.530 38.356 24.703 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -22.663 37.224 23.708 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -24.806 30.321 23.543 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -24.851 31.260 23.722 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -25.694 30.085 23.273 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -21.531 35.810 22.793 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -21.467 35.016 23.324 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -20.878 35.691 22.104 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -16.179 36.857 22.529 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -16.447 37.037 23.430 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -16.385 35.931 22.398 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -20.382 33.782 25.099 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -20.841 33.298 25.785 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -20.127 33.114 24.463 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -25.845 37.352 23.846 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -24.931 37.431 24.119 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -25.838 36.665 23.179 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -11.203 27.851 22.665 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -10.593 27.479 23.302 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -12.040 27.429 22.861 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -9.091 26.736 24.208 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -8.678 26.015 23.732 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -8.409 27.406 24.266 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -25.533 24.784 25.313 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -25.094 25.395 24.722 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -26.167 25.322 25.787 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -19.790 24.913 29.323 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -18.916 25.301 29.293 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -19.926 24.698 30.246 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -12.880 24.969 26.665 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -13.583 25.583 26.455 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -13.325 24.131 26.796 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -23.672 26.700 23.756 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -23.181 26.070 23.228 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -23.049 26.996 24.419 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -22.863 46.099 -40.457 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -23.082 46.629 -41.223 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -23.531 46.326 -39.809 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -24.641 46.820 -38.505 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -25.534 47.159 -38.572 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -24.740 45.965 -38.087 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -23.998 43.959 -43.208 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -24.227 44.018 -44.135 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -24.441 43.167 -42.901 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -22.275 49.084 -34.975 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -23.042 48.552 -35.185 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -21.596 48.774 -35.574 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -24.094 47.005 -35.270 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -23.883 46.298 -35.881 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -24.206 46.567 -34.426 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -26.648 48.028 -36.104 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -25.729 47.906 -35.868 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -27.098 47.278 -35.715 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -26.846 44.335 -39.745 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -27.511 44.089 -39.102 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -27.289 44.957 -40.322 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -22.439 43.707 -34.861 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -21.540 43.433 -35.046 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -22.825 42.964 -34.397 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -23.990 51.868 -22.088 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -23.948 51.242 -21.364 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -23.287 52.491 -21.906 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -26.456 49.978 -28.160 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -26.904 50.824 -28.178 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -27.017 49.398 -28.675 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -21.673 47.181 -25.675 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -21.630 48.041 -26.093 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -22.131 46.629 -26.308 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -25.053 49.578 -24.913 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -24.399 49.028 -24.481 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -25.029 49.304 -25.829 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -23.269 47.991 -23.648 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -22.656 48.624 -23.275 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -22.757 47.519 -24.305 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -18.837 43.405 -24.148 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -18.954 42.456 -24.202 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -19.692 43.737 -23.875 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -23.352 52.448 -19.234 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -23.282 53.099 -18.536 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -24.243 52.551 -19.569 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -26.436 54.515 -20.409 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -26.937 54.487 -21.224 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -26.430 53.609 -20.099 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -21.568 44.308 -23.370 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -22.429 44.221 -23.778 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -21.590 45.164 -22.943 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -16.905 44.030 -19.996 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -16.485 43.615 -19.243 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -17.838 43.852 -19.879 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -21.477 49.274 -22.275 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -22.119 49.233 -21.566 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -21.440 50.200 -22.513 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -21.480 49.495 -27.363 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -22.373 49.154 -27.422 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -21.029 49.118 -28.119 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -23.727 49.594 -20.408 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -23.765 49.994 -19.540 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -24.218 48.777 -20.318 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -20.361 46.968 -33.610 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -20.792 46.523 -32.880 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -21.079 47.340 -34.122 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -25.844 47.456 -31.134 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -25.370 48.047 -31.719 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -26.562 47.987 -30.787 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -18.898 46.922 -26.277 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -19.809 46.979 -25.988 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -18.393 46.862 -25.466 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -24.070 48.551 -27.450 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -24.959 48.651 -27.790 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -23.774 47.709 -27.796 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -20.417 48.551 -29.794 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -19.485 48.680 -29.616 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -20.632 49.221 -30.443 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -21.743 49.746 -32.227 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -22.285 49.366 -32.918 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -20.909 49.940 -32.656 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -23.608 54.303 -17.128 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -22.875 54.557 -16.567 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -24.388 54.507 -16.613 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -18.952 48.098 -21.976 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -19.787 48.552 -21.866 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -18.428 48.374 -21.224 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -26.275 52.067 -19.207 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -26.052 51.649 -18.375 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -26.877 51.454 -19.629 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -19.258 51.584 -16.994 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -19.554 51.418 -17.889 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -18.327 51.364 -17.004 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -17.922 47.941 -28.827 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -17.110 48.445 -28.781 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -18.167 47.796 -27.913 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -17.038 45.022 -27.889 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -17.385 45.640 -27.244 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -16.380 45.523 -28.370 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -21.381 46.085 -31.201 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -21.464 46.974 -30.855 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -20.491 45.820 -30.970 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -24.806 49.177 -33.025 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -24.851 50.116 -32.846 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -25.694 48.941 -33.295 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -25.872 54.322 -15.907 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -25.728 53.420 -16.193 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -26.645 54.608 -16.395 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -25.040 51.522 -16.487 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -24.632 50.665 -16.608 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -25.300 51.537 -15.566 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -21.093 50.531 -19.113 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -21.711 51.206 -18.832 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -20.749 50.852 -19.946 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -20.753 47.886 -18.030 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -20.603 47.157 -18.633 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -20.751 48.663 -18.589 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -20.341 46.256 -20.538 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -19.805 46.707 -21.190 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -21.193 46.148 -20.960 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -22.275 49.084 -16.119 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -23.042 48.552 -16.329 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -21.596 48.774 -16.718 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -19.535 43.712 -20.106 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -19.633 44.659 -20.212 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -20.278 43.340 -20.582 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -18.271 48.034 -16.543 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -18.507 47.814 -15.641 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -19.054 47.827 -17.052 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -18.960 44.689 -15.381 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -19.091 44.213 -16.202 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -19.559 45.433 -15.437 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -26.246 52.757 -23.389 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -26.062 52.675 -24.324 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -25.397 52.633 -22.965 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -27.123 49.339 -23.288 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -26.631 49.118 -24.078 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -26.761 50.180 -23.007 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -19.790 43.769 -27.245 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -18.916 44.157 -27.275 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -19.926 43.554 -26.322 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -23.672 45.556 -32.812 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -23.181 44.926 -33.340 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -23.049 45.852 -32.149 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -18.646 45.849 -30.355 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -18.468 45.203 -29.672 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -18.700 46.683 -29.888 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -14.017 43.039 -15.823 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -13.941 42.613 -14.969 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -13.124 43.053 -16.165 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -23.990 51.868 -3.232 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -23.948 51.242 -2.508 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -23.287 52.491 -3.050 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -26.456 49.978 -9.304 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -26.904 50.824 -9.322 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -27.017 49.398 -9.819 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -25.746 52.140 -7.178 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -25.532 51.370 -6.651 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -25.008 52.229 -7.781 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -13.951 47.312 -8.418 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -13.305 46.983 -7.793 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -13.441 47.830 -9.041 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -25.053 49.578 -6.057 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -24.399 49.028 -5.625 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -25.029 49.304 -6.973 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -19.897 51.128 -6.841 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -19.281 50.602 -6.332 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -20.483 50.488 -7.245 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -11.840 45.318 -2.758 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -12.576 45.929 -2.796 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -11.156 45.733 -3.284 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -21.519 53.082 -7.957 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -21.849 52.712 -8.776 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -20.931 52.412 -7.611 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -21.152 51.851 -4.324 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -20.587 51.972 -5.087 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -20.833 52.488 -3.685 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -22.529 52.152 -10.368 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -22.821 52.920 -10.859 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -23.203 51.492 -10.531 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -16.905 44.030 -1.140 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -16.485 43.615 -0.387 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -17.838 43.852 -1.023 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -17.243 46.523 -13.855 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -17.497 46.542 -12.932 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -17.500 45.651 -14.156 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -21.477 49.274 -3.419 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -22.119 49.233 -2.710 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -21.440 50.200 -3.657 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -21.480 49.495 -8.507 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -22.373 49.154 -8.566 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -21.029 49.118 -9.263 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -15.944 49.911 -9.690 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -16.353 50.726 -9.982 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -15.224 49.771 -10.305 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -14.940 49.357 -6.876 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -15.135 49.962 -7.591 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -14.758 48.523 -7.311 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -23.727 49.594 -1.552 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -23.765 49.994 -0.684 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -24.218 48.777 -1.462 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -20.361 46.968 -14.754 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -20.792 46.523 -14.024 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -21.079 47.340 -15.266 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -24.070 48.551 -8.594 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -24.959 48.651 -8.934 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -23.774 47.709 -8.940 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -14.493 46.157 -4.157 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -15.170 46.288 -3.493 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -14.979 46.002 -4.967 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -21.743 49.746 -13.371 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -22.285 49.366 -14.062 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -20.909 49.940 -13.800 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -17.578 49.710 -5.534 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -17.014 49.163 -6.081 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -17.726 49.188 -4.745 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -18.952 48.098 -3.120 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -19.787 48.552 -3.010 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -18.428 48.374 -2.368 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -14.510 47.125 -13.236 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -15.448 47.237 -13.387 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -14.213 47.982 -12.930 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -25.153 51.986 -13.674 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -24.537 52.613 -13.295 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -26.015 52.302 -13.403 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -24.641 46.820 -0.793 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -25.534 47.159 -0.860 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -24.740 45.965 -0.375 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -15.906 46.561 -1.903 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -15.208 46.635 -1.253 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -16.287 45.697 -1.748 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -15.122 46.213 -10.806 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -14.902 46.685 -11.609 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -14.564 46.608 -10.135 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -17.922 47.941 -9.971 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -17.110 48.445 -9.925 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -18.167 47.796 -9.057 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -24.806 49.177 -14.169 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -24.851 50.116 -13.990 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -25.694 48.941 -14.439 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -19.311 50.881 -14.350 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -19.491 50.727 -15.278 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -18.360 50.989 -14.306 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -20.753 47.886 0.826 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -20.603 47.157 0.223 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -20.751 48.663 0.267 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -20.341 46.256 -1.682 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -19.805 46.707 -2.334 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -21.193 46.148 -2.104 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -19.535 43.712 -1.250 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -19.633 44.659 -1.356 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -20.278 43.340 -1.726 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -13.921 45.795 3.394 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -14.018 44.843 3.388 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -14.243 46.064 4.255 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -19.313 43.006 1.421 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -18.601 42.366 1.407 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -19.414 43.273 0.507 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -18.960 44.689 3.475 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -19.091 44.213 2.654 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -19.559 45.433 3.419 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -8.647 43.560 3.485 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -8.297 42.906 2.879 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -8.500 44.397 3.045 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -27.123 49.339 -4.432 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -26.631 49.118 -5.222 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -26.761 50.180 -4.151 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -26.846 44.335 -2.033 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -27.511 44.089 -1.390 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -27.289 44.957 -2.610 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -10.126 43.759 -0.347 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -10.939 44.084 -0.735 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -9.893 42.999 -0.880 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -16.696 45.208 -6.024 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -17.371 44.579 -5.769 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -16.132 44.724 -6.627 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -11.554 43.315 -5.912 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -10.950 43.863 -6.413 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -12.423 43.635 -6.152 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -14.233 43.799 -6.740 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -14.157 43.894 -7.689 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -14.509 42.891 -6.611 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -12.880 43.825 -11.047 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -13.583 44.439 -11.257 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -13.325 42.987 -10.916 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -24.412 44.356 1.315 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -24.778 43.591 1.758 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -23.499 44.385 1.602 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -22.439 43.707 2.851 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -21.540 43.433 2.666 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -22.825 42.964 3.315 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -10.595 43.364 6.514 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -11.494 43.503 6.809 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -10.343 44.195 6.112 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -17.243 46.523 5.001 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -17.497 46.542 5.924 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -17.500 45.651 4.700 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -14.510 47.125 5.620 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -15.448 47.237 5.469 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -14.213 47.982 5.926 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -15.122 46.213 8.050 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -14.902 46.685 7.247 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -14.564 46.608 8.721 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -11.203 46.707 3.809 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -10.593 46.335 4.446 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -12.040 46.285 4.005 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -10.957 45.525 8.824 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -10.775 45.076 9.649 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -11.557 44.940 8.360 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -9.091 45.592 5.352 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -8.678 44.871 4.876 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -8.409 46.262 5.410 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -12.880 43.825 7.809 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -13.583 44.439 7.599 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -13.325 42.987 7.940 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 3.565 -3.570 -8.244 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 3.654 -2.626 -8.376 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 2.926 -3.845 -8.902 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -5.134 -4.700 -3.232 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -5.092 -5.326 -2.508 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -4.431 -4.077 -3.050 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 6.204 -1.376 -6.523 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 5.763 -2.096 -6.073 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 6.191 -0.655 -5.893 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -7.600 -6.590 -9.304 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -8.048 -5.744 -9.322 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -8.161 -7.170 -9.819 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 3.315 3.729 -6.311 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 3.935 3.052 -6.584 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 3.107 3.511 -5.403 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 4.028 -7.488 -4.091 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 4.171 -8.435 -4.071 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 3.922 -7.281 -5.020 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -2.817 -9.387 -6.819 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -2.774 -8.527 -7.237 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -3.275 -9.939 -7.452 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -6.197 -6.990 -6.057 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -5.543 -7.540 -5.625 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -6.173 -7.264 -6.973 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -1.041 -5.440 -6.841 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -0.425 -5.966 -6.332 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -1.627 -6.080 -7.245 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 3.362 -0.969 -9.201 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 3.066 -1.291 -10.052 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 3.038 -0.069 -9.159 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -4.413 -8.577 -4.792 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -3.800 -7.944 -4.419 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -3.901 -9.049 -5.449 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 4.968 2.245 -7.550 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 5.393 1.538 -8.035 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 5.285 3.046 -7.967 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 9.655 -4.948 -2.498 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 9.003 -4.253 -2.409 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 10.120 -4.738 -3.308 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 5.589 -5.942 -0.772 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 5.669 -5.179 -0.200 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 4.988 -5.663 -1.463 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -2.663 -3.486 -7.957 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -2.993 -3.856 -8.776 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -2.075 -4.156 -7.611 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 2.289 1.783 -8.720 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 2.763 2.078 -7.942 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 1.726 2.521 -8.953 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -3.673 -4.416 -10.368 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -3.965 -3.648 -10.859 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -4.347 -5.076 -10.531 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -4.585 3.528 -8.524 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -4.433 3.180 -7.645 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -5.436 3.172 -8.779 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 7.520 -7.114 1.493 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 7.113 -6.633 0.773 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 7.561 -8.019 1.186 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -2.621 -7.294 -3.419 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -3.263 -7.335 -2.710 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -2.584 -6.368 -3.657 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -2.624 -7.073 -8.507 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -3.517 -7.414 -8.566 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -2.173 -7.450 -9.263 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 2.014 -6.482 1.798 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 1.451 -7.186 2.118 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 2.840 -6.602 2.265 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 3.916 -7.211 -6.876 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 3.721 -6.606 -7.591 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 4.098 -8.045 -7.311 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -4.871 -6.974 -1.552 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -4.909 -6.574 -0.684 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -5.362 -7.791 -1.462 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -8.263 -9.858 -7.702 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -7.632 -9.887 -6.982 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -7.813 -10.283 -8.432 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 3.180 -5.573 -2.205 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 3.504 -6.204 -2.848 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 2.740 -6.108 -1.544 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -5.214 -8.017 -8.594 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -6.103 -7.917 -8.934 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -4.918 -8.859 -8.940 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 7.650 5.261 2.120 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 7.850 5.685 1.285 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 8.306 5.604 2.727 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 1.278 -6.858 -5.534 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 1.842 -7.405 -6.081 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 1.130 -7.380 -4.745 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -0.096 -8.470 -3.120 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -0.931 -8.016 -3.010 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 0.428 -8.194 -2.368 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 0.448 -2.257 -11.435 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -0.296 -2.764 -11.758 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 0.314 -2.208 -10.489 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 5.405 -3.772 -4.394 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 4.477 -4.004 -4.421 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 5.856 -4.549 -4.724 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -2.052 0.556 -8.261 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -1.525 1.329 -8.462 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -2.932 0.781 -8.563 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -6.297 -4.582 -13.674 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -5.681 -3.955 -13.295 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -7.159 -4.266 -13.403 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -0.625 -1.781 -8.685 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -0.866 -0.856 -8.643 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -1.365 -2.240 -8.289 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -1.941 3.241 -9.140 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -2.891 3.346 -9.088 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -1.590 4.061 -8.795 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -1.335 0.078 -12.692 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -1.188 -0.442 -11.902 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -1.338 0.985 -12.386 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -4.882 -2.669 -12.182 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -5.568 -2.317 -11.615 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -4.359 -1.906 -12.428 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 1.470 -7.641 -0.786 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 1.589 -7.067 -0.029 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 2.125 -8.329 -0.671 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 6.276 -5.983 -5.855 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 5.479 -6.398 -6.184 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 6.721 -6.674 -5.364 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -4.266 -0.055 -13.285 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -3.674 0.644 -13.009 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -3.807 -0.488 -14.004 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 7.363 3.273 -4.233 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 7.207 3.951 -4.890 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 8.295 3.345 -4.030 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -6.184 -5.046 2.369 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -5.776 -5.903 2.248 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -6.444 -5.031 3.290 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -1.526 -3.930 -12.613 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -1.985 -4.414 -11.927 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -1.271 -4.598 -13.249 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -2.237 -6.037 -0.257 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -2.855 -5.362 0.024 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -1.893 -5.716 -1.090 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 2.783 -3.566 3.021 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 3.736 -3.482 2.993 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 2.623 -4.277 3.640 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -1.897 -8.682 0.826 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -1.747 -9.411 0.223 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -1.895 -7.905 0.267 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 4.513 -7.058 3.586 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 4.705 -7.989 3.475 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 5.370 -6.633 3.576 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 5.829 -4.269 1.664 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 5.548 -3.560 1.086 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 6.772 -4.342 1.513 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -3.419 -7.484 2.737 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -4.186 -8.016 2.527 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -2.740 -7.794 2.138 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 0.585 -8.534 2.313 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 0.349 -8.754 3.215 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -0.198 -8.741 1.804 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -6.989 -0.360 -13.866 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -6.075 -0.281 -13.593 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -6.982 -1.047 -14.533 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -8.340 5.033 -8.789 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -8.987 4.571 -9.322 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -7.985 4.361 -8.206 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 10.079 3.923 -4.004 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 10.057 4.108 -3.065 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 10.769 4.492 -4.345 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 9.642 3.490 -1.082 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 9.155 2.755 -1.453 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 10.191 3.097 -0.404 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 9.547 -1.625 -4.158 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 10.381 -2.003 -4.439 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 9.659 -0.682 -4.277 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 8.431 -3.919 1.096 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 9.014 -4.653 1.287 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 8.995 -3.147 1.142 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 9.928 -6.016 1.780 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 9.065 -6.395 1.615 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 10.532 -6.755 1.706 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 7.926 -6.988 -1.869 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 7.083 -6.720 -1.503 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 8.369 -6.166 -2.080 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -7.792 -8.540 1.608 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -6.873 -8.662 1.844 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -8.242 -9.290 1.997 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -6.571 -10.228 -5.501 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -6.126 -11.020 -5.199 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -6.105 -9.512 -5.070 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -8.267 -7.229 -4.432 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -7.775 -7.450 -5.222 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -7.905 -6.388 -4.151 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 3.812 4.601 0.573 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 4.489 3.969 0.333 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 4.134 5.003 1.381 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 1.736 4.661 -3.377 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 1.279 5.190 -4.031 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 1.899 5.264 -2.652 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 6.668 5.109 -2.137 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 6.486 6.025 -2.348 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 6.844 4.699 -2.984 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -6.776 3.020 -11.501 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -7.461 2.982 -12.169 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -6.773 3.933 -11.213 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -4.210 -0.250 14.159 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -4.580 -1.052 13.790 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -3.269 -0.419 14.206 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 3.315 3.729 12.545 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 3.935 3.052 12.272 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 3.107 3.511 13.453 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -6.909 -1.158 7.968 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -7.181 -0.929 7.079 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -6.864 -0.320 8.428 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 2.340 -5.868 5.103 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 3.041 -5.846 5.754 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 2.642 -6.496 4.447 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -2.663 -3.486 10.899 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -2.993 -3.856 10.080 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -2.075 -4.156 11.245 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -1.296 -0.058 13.580 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -1.391 -0.636 12.823 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -0.567 -0.429 14.076 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 2.289 1.783 10.136 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 2.763 2.078 10.914 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 1.726 2.521 9.903 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -3.673 -4.416 8.488 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -3.965 -3.648 7.997 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -4.347 -5.076 8.325 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 9.451 1.162 4.891 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 9.524 2.101 5.061 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 10.356 0.857 4.834 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -7.829 0.727 14.187 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -6.883 0.583 14.168 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -7.942 1.511 14.724 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 1.761 4.739 8.551 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 1.686 4.618 7.605 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 1.794 5.689 8.670 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 4.863 3.893 5.554 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 5.238 3.149 5.083 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 4.867 3.623 6.472 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 4.532 3.819 8.303 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 3.597 3.919 8.482 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 4.812 3.110 8.881 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 6.040 -3.921 4.331 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 6.082 -4.144 3.401 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 6.889 -3.523 4.521 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -2.887 -6.822 5.485 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -3.429 -7.202 4.794 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -2.053 -6.628 5.056 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 0.448 -2.257 7.421 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -0.296 -2.764 7.098 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 0.314 -2.208 8.367 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -4.427 -2.962 13.190 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -3.682 -2.964 12.589 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -4.349 -3.786 13.672 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 2.574 -0.798 6.446 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 2.279 0.028 6.828 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 1.871 -1.418 6.642 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 8.245 1.420 7.440 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 7.872 0.594 7.750 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 8.522 1.237 6.543 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -2.052 0.556 10.595 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -1.525 1.329 10.394 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -2.932 0.781 10.293 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -6.297 -4.582 5.182 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -5.681 -3.955 5.561 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -7.159 -4.266 5.453 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -0.625 -1.781 10.171 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -0.866 -0.856 10.213 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -1.365 -2.240 10.567 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -0.110 2.368 16.486 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 0.253 3.223 16.253 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 0.422 2.076 17.227 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 5.637 -0.604 5.261 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 5.990 -0.984 6.065 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 4.688 -0.697 5.347 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 10.141 3.876 5.462 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 10.884 4.462 5.322 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 9.446 4.444 5.795 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 6.503 -1.931 7.487 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 6.226 -2.659 8.043 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 7.430 -1.812 7.693 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -6.134 2.057 16.498 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -5.917 1.125 16.467 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -5.887 2.331 17.382 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -1.335 0.078 6.164 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -1.188 -0.442 6.954 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -1.338 0.985 6.470 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -4.882 -2.669 6.674 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -5.568 -2.317 7.241 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -4.359 -1.906 6.428 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 1.403 1.776 6.913 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 0.586 2.273 6.966 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 1.932 2.251 6.273 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -4.266 -0.055 5.571 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -3.674 0.644 5.847 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -3.807 -0.488 4.852 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -5.950 -7.391 4.687 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -5.995 -6.452 4.866 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -6.838 -7.627 4.417 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 2.677 -0.855 3.673 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 2.409 -0.675 4.574 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 2.471 -1.781 3.542 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -1.526 -3.930 6.243 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -1.985 -4.414 6.929 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -1.271 -4.598 5.607 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -0.455 -5.687 4.506 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -0.635 -5.841 3.578 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 0.496 -5.579 4.550 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 8.935 -3.332 3.951 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 8.662 -3.757 3.138 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 8.975 -2.401 3.734 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -7.470 3.114 11.872 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -7.804 2.233 12.044 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -7.248 3.459 12.736 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 10.056 -4.509 6.141 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 9.535 -4.152 5.422 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 10.023 -3.834 6.819 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -2.844 1.917 17.226 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -3.269 2.726 16.943 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -1.939 2.002 16.924 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -5.442 5.173 17.273 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -6.162 5.613 16.822 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -5.808 4.922 18.122 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -2.975 4.773 16.303 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -3.840 4.845 16.707 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -3.030 5.320 15.519 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 1.736 4.661 15.479 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 1.279 5.190 14.825 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 1.899 5.264 16.204 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -6.027 3.796 14.184 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -6.046 3.371 15.041 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -5.222 3.478 13.775 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -1.349 2.976 13.687 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -1.136 2.088 13.400 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -1.284 2.942 14.642 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 2.088 4.230 5.752 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 2.954 4.596 5.574 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 1.841 3.790 4.939 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -5.134 14.156 -3.232 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -5.092 13.530 -2.508 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -4.431 14.779 -3.050 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -4.210 18.606 -4.697 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -4.580 17.804 -5.066 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -3.269 18.437 -4.650 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -7.600 12.266 -9.304 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -8.048 13.112 -9.322 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -8.161 11.686 -9.819 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -6.890 14.428 -7.178 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -6.676 13.658 -6.651 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -6.152 14.517 -7.781 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 3.315 22.585 -6.311 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 3.935 21.908 -6.584 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 3.107 22.367 -5.403 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -6.197 11.866 -6.057 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -5.543 11.316 -5.625 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -6.173 11.592 -6.973 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -4.007 8.387 -2.745 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -4.226 8.917 -3.511 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -4.675 8.614 -2.097 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -1.438 16.063 -2.457 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -2.178 16.661 -2.354 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -0.724 16.617 -2.773 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -4.413 10.279 -4.792 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -3.800 10.912 -4.419 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -3.901 9.807 -5.449 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -3.030 18.027 -1.670 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -3.036 18.906 -2.048 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -3.884 17.944 -1.245 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 7.016 7.606 -2.758 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 6.280 8.217 -2.796 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 7.700 8.021 -3.284 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 0.019 5.693 -5.292 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -0.098 4.744 -5.346 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -0.836 6.025 -5.019 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -1.296 18.798 -5.276 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -1.391 18.220 -6.033 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -0.567 18.427 -4.780 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -1.416 18.538 0.393 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -1.728 19.320 0.849 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -2.066 18.385 -0.293 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -4.496 14.736 -0.378 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -4.426 15.387 0.320 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -5.387 14.839 -0.713 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -7.580 16.803 -1.553 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -8.081 16.775 -2.368 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -7.574 15.897 -1.243 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 1.347 19.823 -0.111 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 1.434 20.649 0.364 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 0.483 19.493 0.138 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -4.585 22.384 -8.524 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -4.433 22.036 -7.645 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -5.436 22.028 -8.779 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -5.331 18.126 -0.510 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -5.114 17.765 0.350 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -6.186 17.752 -0.720 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -2.712 6.596 -4.514 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -3.573 6.509 -4.922 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -2.734 7.452 -4.087 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 1.951 6.318 -1.140 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 2.371 5.903 -0.387 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 1.018 6.140 -1.023 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -2.621 11.562 -3.419 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -3.263 11.521 -2.710 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -2.584 12.488 -3.657 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 2.014 12.374 1.798 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 1.451 11.670 2.118 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 2.840 12.254 2.265 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -4.871 11.882 -1.552 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -4.909 12.282 -0.684 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -5.362 11.065 -1.462 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -8.263 8.998 -7.702 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -7.632 8.969 -6.982 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -7.813 8.573 -8.432 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -4.752 16.591 1.728 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -4.019 16.845 2.289 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -5.532 16.795 2.243 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -0.096 10.386 -3.120 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -0.931 10.840 -3.010 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 0.428 10.662 -2.368 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 1.968 16.783 -0.198 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 1.622 16.402 0.608 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 1.768 17.717 -0.127 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -7.419 14.355 -0.351 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -7.196 13.937 0.481 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -8.021 13.742 -0.773 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -0.402 13.872 1.862 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -0.698 13.706 0.967 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 0.529 13.652 1.852 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -0.110 21.224 -2.370 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 0.253 22.079 -2.603 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 0.422 20.932 -1.629 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -5.785 9.108 -0.793 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -6.678 9.447 -0.860 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -5.884 8.253 -0.375 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 2.950 8.849 -1.903 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 3.648 8.923 -1.253 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 2.569 7.985 -1.748 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 1.470 11.215 -0.786 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 1.589 11.789 -0.029 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 2.125 10.527 -0.671 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -5.142 6.247 -5.496 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -5.371 6.306 -6.423 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -5.585 5.455 -5.189 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 4.251 20.099 2.344 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 3.900 19.243 2.587 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 4.977 20.242 2.951 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -0.361 16.580 2.382 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -0.689 16.851 1.524 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -0.209 15.639 2.294 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -6.184 13.810 2.369 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -5.776 12.953 2.248 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -6.444 13.825 3.290 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -2.237 12.819 -0.257 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -2.855 13.494 0.024 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -1.893 13.140 -1.090 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 2.783 15.290 3.021 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 3.736 15.374 2.993 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 2.623 14.579 3.640 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -1.897 10.174 0.826 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -1.747 9.445 0.223 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -1.895 10.951 0.267 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -1.485 8.544 -1.682 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -0.949 8.995 -2.334 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -2.337 8.436 -2.104 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 4.513 11.798 3.586 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 4.705 10.867 3.475 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 5.370 12.223 3.576 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -3.419 11.372 2.737 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -4.186 10.840 2.527 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -2.740 11.062 2.138 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 0.585 10.322 2.313 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 0.349 10.102 3.215 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -0.198 10.115 1.804 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 3.301 9.449 1.389 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 2.353 9.481 1.521 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 3.613 8.824 2.043 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 4.935 8.083 3.394 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 4.838 7.131 3.388 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 4.613 8.352 4.255 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -5.238 9.293 2.442 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -5.027 8.586 1.831 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -5.350 8.855 3.286 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -8.340 23.889 -8.789 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -8.987 23.427 -9.322 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -7.985 23.217 -8.206 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -7.470 21.970 -6.984 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -7.804 21.089 -6.812 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -7.248 22.315 -6.120 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -7.390 15.045 -4.533 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -7.206 14.963 -5.468 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -6.541 14.921 -4.109 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -7.792 10.316 1.608 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -6.873 10.194 1.844 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -8.242 9.566 1.997 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 10.209 5.848 3.485 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 10.559 5.194 2.879 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 10.356 6.685 3.045 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -6.571 8.628 -5.501 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -6.126 7.836 -5.199 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -6.105 9.344 -5.070 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -8.267 11.627 -4.432 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -7.775 11.406 -5.222 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -7.905 12.468 -4.151 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -7.954 7.885 -10.377 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -8.879 8.094 -10.507 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -7.500 8.369 -11.067 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 1.467 22.172 1.329 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 1.652 21.838 2.207 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 2.314 22.481 1.007 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 3.812 23.457 0.573 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 4.489 22.825 0.333 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 4.134 23.859 1.381 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 8.730 6.047 -0.347 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 7.917 6.372 -0.735 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 8.963 5.287 -0.880 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 1.736 23.517 -3.377 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 1.279 24.046 -4.031 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 1.899 24.120 -2.652 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 4.063 22.395 -2.432 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 3.159 22.560 -2.698 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 4.492 23.248 -2.498 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -3.886 21.362 -6.017 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -4.105 20.446 -5.848 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -3.062 21.502 -5.551 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -1.349 21.832 -5.169 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -1.136 20.944 -5.456 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -1.284 21.798 -4.214 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -5.514 6.130 -8.202 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -6.291 5.896 -8.710 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -4.983 5.333 -8.194 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -0.934 6.057 -8.389 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -0.060 6.445 -8.419 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -1.070 5.842 -7.466 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 4.839 5.327 3.033 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 4.915 4.901 3.887 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 5.732 5.341 2.691 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 3.565 15.286 10.612 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 3.654 16.230 10.480 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 2.926 15.011 9.954 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 2.498 14.541 14.031 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 2.460 13.895 14.736 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 2.175 14.075 13.260 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 0.887 16.974 14.437 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 1.191 16.288 13.843 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 1.609 17.092 15.055 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 4.028 11.368 14.765 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 4.171 10.421 14.785 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 3.922 11.575 13.836 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 4.905 9.600 10.438 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 5.551 9.271 11.063 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 5.415 10.118 9.815 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -4.007 8.387 16.111 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -4.226 8.917 15.345 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -4.675 8.614 16.759 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 3.362 17.887 9.655 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 3.066 17.565 8.804 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 3.038 18.787 9.697 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 6.669 8.891 12.419 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 6.454 8.125 12.951 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 7.325 9.363 12.932 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 0.019 5.693 13.564 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -0.098 4.744 13.510 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -0.836 6.025 13.837 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 5.692 14.740 9.016 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 4.960 14.968 9.589 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 6.139 14.026 9.471 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -1.296 18.798 13.580 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -1.391 18.220 12.823 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -0.567 18.427 14.076 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -1.416 18.538 19.249 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -1.728 19.320 19.705 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -2.066 18.385 18.563 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 4.563 13.902 6.701 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 5.142 14.052 7.448 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 4.977 14.373 5.978 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 2.289 20.639 10.136 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 2.763 20.934 10.914 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 1.726 21.377 9.903 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -3.177 20.610 20.013 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -3.169 20.474 19.065 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -4.093 20.492 20.265 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 8.261 5.652 6.514 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 7.362 5.791 6.809 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 8.513 6.483 6.112 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 1.347 19.823 18.745 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 1.434 20.649 19.220 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 0.483 19.493 18.994 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 1.761 23.595 8.551 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 1.686 23.474 7.605 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 1.794 24.545 8.670 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -2.712 6.596 14.342 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -3.573 6.509 13.934 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -2.734 7.452 14.769 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 6.040 14.935 4.331 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 6.082 14.712 3.401 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 6.889 15.333 4.521 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 2.014 12.374 20.654 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 1.451 11.670 20.974 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 2.840 12.254 21.121 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 3.916 11.645 11.980 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 3.721 12.250 11.265 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 4.098 10.811 11.545 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -1.505 9.256 4.102 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -1.936 8.811 4.832 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -2.223 9.628 3.590 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 3.180 13.283 16.651 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 3.504 12.652 16.008 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 2.740 12.748 17.312 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 1.278 11.998 13.322 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 1.842 11.451 12.775 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 1.130 11.476 14.111 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -0.096 10.386 15.736 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -0.931 10.840 15.846 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 0.428 10.662 16.488 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 0.448 16.599 7.421 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -0.296 16.092 7.098 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 0.314 16.648 8.367 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 4.346 9.413 5.620 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 3.408 9.525 5.469 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 4.643 10.270 5.926 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 1.968 16.783 18.658 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 1.622 16.402 19.464 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 1.768 17.717 18.729 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 5.064 11.280 7.281 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 5.956 11.143 7.600 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 5.121 12.071 6.744 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 2.574 18.058 6.446 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 2.279 18.884 6.828 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 1.871 17.438 6.642 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -0.402 13.872 20.718 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -0.698 13.706 19.823 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 0.529 13.652 20.708 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -2.052 19.412 10.595 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -1.525 20.185 10.394 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -2.932 19.637 10.293 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -6.297 14.274 5.182 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -5.681 14.901 5.561 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -7.159 14.590 5.453 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -0.625 17.075 10.171 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -0.866 18.000 10.213 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -1.365 16.616 10.567 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -0.110 21.224 16.486 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 0.253 22.079 16.253 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 0.422 20.932 17.227 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -1.941 22.097 9.716 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -2.891 22.202 9.768 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -1.590 22.917 10.061 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 3.434 17.323 16.187 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 3.008 17.096 17.013 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 4.015 16.585 16.004 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -5.785 9.108 18.063 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -6.678 9.447 17.996 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -5.884 8.253 18.481 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -1.335 18.934 6.164 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -1.188 18.414 6.954 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -1.338 19.841 6.470 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 3.734 8.501 8.050 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 3.954 8.973 7.247 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 4.292 8.896 8.721 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 1.403 20.632 6.913 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 0.586 21.129 6.966 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 1.932 21.107 6.273 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 1.470 11.215 18.070 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 1.589 11.789 18.827 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 2.125 10.527 18.185 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 1.818 7.310 9.823 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 1.471 7.928 10.468 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 2.476 7.811 9.342 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -6.923 22.800 20.851 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -6.383 22.583 21.610 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -7.404 21.994 20.661 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 1.766 21.227 3.846 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 1.122 20.596 4.168 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 2.528 20.696 3.614 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -7.016 16.610 21.805 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -6.872 15.708 21.519 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -7.789 16.896 21.317 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -2.675 16.954 3.937 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -2.611 16.160 4.468 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -2.022 16.835 3.248 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -0.361 16.580 21.238 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -0.689 16.851 20.380 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -0.209 15.639 21.150 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 2.677 18.001 3.673 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 2.409 18.181 4.574 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 2.471 17.075 3.542 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -1.897 10.174 19.682 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -1.747 9.445 19.079 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -1.895 10.951 19.123 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -1.485 8.544 17.174 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -0.949 8.995 16.522 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -2.337 8.436 16.752 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -3.419 11.372 21.593 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -4.186 10.840 21.383 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -2.740 11.062 20.994 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 0.585 10.322 21.169 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 0.349 10.102 22.071 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -0.198 10.115 20.660 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -5.238 9.293 21.298 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -5.027 8.586 20.687 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -5.350 8.855 22.142 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 7.575 12.967 10.313 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 7.425 12.022 10.293 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 7.221 13.248 11.157 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 7.285 10.550 8.775 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 7.565 9.643 8.900 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 8.044 10.984 8.386 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -7.792 10.316 20.464 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -6.873 10.194 20.700 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -8.242 9.566 20.853 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -7.990 6.623 16.823 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -8.655 6.377 17.466 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -8.433 7.245 16.246 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -5.798 19.798 20.967 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -6.619 19.973 20.507 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -6.050 19.725 21.888 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -2.844 20.773 17.226 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -3.269 21.582 16.943 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -1.939 20.858 16.924 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -5.442 24.029 17.273 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -6.162 24.469 16.822 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -5.808 23.778 18.122 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -2.975 23.629 16.303 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -3.840 23.701 16.707 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -3.030 24.176 15.519 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -6.027 22.652 14.184 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -6.046 22.227 15.041 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -5.222 22.334 13.775 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -3.886 21.362 12.839 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -4.105 20.446 13.008 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -3.062 21.502 13.305 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -1.349 21.832 13.687 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -1.136 20.944 13.400 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -1.284 21.798 14.642 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 2.160 7.496 12.832 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 1.485 6.867 13.087 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 2.724 7.012 12.229 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 4.623 6.087 12.116 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 4.699 6.182 11.167 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 4.347 5.179 12.245 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 5.976 6.113 7.809 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 5.273 6.727 7.599 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 5.531 5.275 7.940 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 2.088 23.086 5.752 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 2.954 23.452 5.574 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 1.841 22.646 4.939 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -5.556 6.644 20.171 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -5.922 5.879 20.614 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -4.643 6.673 20.458 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -6.909 17.698 26.824 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -7.181 17.927 25.935 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -6.864 18.536 27.284 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -2.887 12.034 24.341 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -3.429 11.654 23.650 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -2.053 12.228 23.912 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -6.297 14.274 24.038 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -5.681 14.901 24.417 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -7.159 14.590 24.309 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -4.266 18.801 24.427 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -3.674 19.500 24.703 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -3.807 18.368 23.708 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -5.950 11.465 23.543 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -5.995 12.404 23.722 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -6.838 11.229 23.273 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -2.675 16.954 22.793 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -2.611 16.160 23.324 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -2.022 16.835 22.104 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -0.455 13.169 23.362 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -0.635 13.015 22.434 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 0.496 13.277 23.406 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -6.989 18.496 23.846 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -6.075 18.575 24.119 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -6.982 17.809 23.179 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -6.776 21.876 26.211 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -7.461 21.838 25.543 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -6.773 22.789 26.499 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -4.958 22.796 23.236 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -5.226 23.083 24.109 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -4.187 22.250 23.388 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 3.565 34.142 -8.244 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 3.654 35.086 -8.376 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 2.926 33.867 -8.902 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 2.498 33.397 -4.825 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 2.460 32.751 -4.120 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 2.175 32.931 -5.596 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 0.887 35.830 -4.419 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 1.191 35.144 -5.013 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 1.609 35.948 -3.801 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 4.028 30.224 -4.091 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 4.171 29.277 -4.071 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 3.922 30.431 -5.020 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -2.817 28.325 -6.819 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -2.774 29.185 -7.237 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -3.275 27.773 -7.452 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 4.905 28.456 -8.418 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 5.551 28.127 -7.793 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 5.415 28.974 -9.041 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 3.362 36.743 -9.201 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 3.066 36.421 -10.052 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 3.038 37.643 -9.159 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 6.669 27.747 -6.437 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 6.454 26.981 -5.905 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 7.325 28.219 -5.924 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -6.909 36.554 -10.888 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -7.181 36.783 -11.777 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -6.864 37.392 -10.428 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 7.016 26.462 -2.758 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 6.280 27.073 -2.796 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 7.700 26.877 -3.284 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 0.019 24.549 -5.292 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -0.098 23.600 -5.346 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -0.836 24.881 -5.019 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 2.286 33.386 -10.792 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 1.574 33.921 -11.143 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 2.977 33.442 -11.452 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 5.589 31.770 -0.772 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 5.669 32.533 -0.200 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 4.988 32.049 -1.463 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -1.296 37.654 -5.276 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -1.391 37.076 -6.033 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -0.567 37.283 -4.780 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -3.177 39.466 1.157 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -3.169 39.330 0.209 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -4.093 39.348 1.409 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 1.347 38.679 -0.111 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 1.434 39.505 0.364 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 0.483 38.349 0.138 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -4.585 41.240 -8.524 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -4.433 40.892 -7.645 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -5.436 40.884 -8.779 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 7.520 30.598 1.493 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 7.113 31.079 0.773 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 7.561 29.693 1.186 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 1.951 25.174 -1.140 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 2.371 24.759 -0.387 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 1.018 24.996 -1.023 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 5.277 28.930 -0.286 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 4.763 28.804 0.511 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 5.122 29.842 -0.531 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 2.912 31.055 -9.690 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 2.503 31.870 -9.982 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 3.632 30.915 -10.305 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 3.916 30.501 -6.876 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 3.721 31.106 -7.591 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 4.098 29.667 -7.311 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -6.988 28.600 -12.278 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -6.514 29.191 -12.863 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -7.706 29.131 -11.931 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 3.180 32.139 -2.205 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 3.504 31.508 -2.848 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 2.740 31.604 -1.544 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -0.042 28.066 -7.421 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -0.953 28.123 -7.132 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 0.463 28.006 -6.610 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -1.561 29.695 -10.938 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -0.629 29.824 -10.760 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -1.776 30.365 -11.587 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 4.363 27.301 -4.157 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 3.686 27.432 -3.493 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 3.877 27.146 -4.967 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -2.887 30.890 -13.371 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -3.429 30.510 -14.062 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -2.053 31.084 -13.800 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -3.720 26.990 -9.116 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -4.037 26.088 -9.151 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -2.939 26.992 -9.668 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 0.448 35.455 -11.435 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -0.296 34.948 -11.758 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 0.314 35.504 -10.489 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 1.968 35.639 -0.198 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 1.622 35.258 0.608 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 1.768 36.573 -0.127 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 5.405 33.940 -4.394 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 4.477 33.708 -4.421 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 5.856 33.163 -4.724 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -2.052 38.268 -8.261 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -1.525 39.041 -8.462 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -2.932 38.493 -8.563 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -6.297 33.130 -13.674 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -5.681 33.757 -13.295 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -7.159 33.446 -13.403 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -0.625 35.931 -8.685 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -0.866 36.856 -8.643 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -1.365 35.472 -8.289 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -0.110 40.080 -2.370 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 0.253 40.935 -2.603 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 0.422 39.788 -1.629 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 3.434 36.179 -2.669 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 3.008 35.952 -1.843 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 4.015 35.441 -2.852 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -4.882 35.043 -12.182 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -5.568 35.395 -11.615 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -4.359 35.806 -12.428 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 0.934 29.085 -9.971 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 1.746 29.589 -9.925 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 0.689 28.940 -9.057 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 1.818 26.166 -9.033 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 1.471 26.784 -8.388 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 2.476 26.667 -9.514 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -2.525 27.229 -12.345 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -2.608 28.118 -11.999 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -1.635 26.964 -12.114 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 7.674 27.978 0.049 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 6.758 28.241 -0.039 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 8.010 27.975 -0.848 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 6.276 31.729 -5.855 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 5.479 31.314 -6.184 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 6.721 31.038 -5.364 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -4.266 37.657 -13.285 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -3.674 38.356 -13.009 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -3.807 37.224 -14.004 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -5.950 30.321 -14.169 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -5.995 31.260 -13.990 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -6.838 30.085 -14.439 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -6.212 39.043 -9.335 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -7.044 39.516 -9.308 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -5.666 39.553 -9.934 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -6.923 41.656 1.995 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -6.383 41.439 2.754 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -7.404 40.850 1.805 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -2.326 40.575 3.615 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -1.558 40.116 3.956 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -2.347 40.349 2.685 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -0.361 35.436 2.382 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -0.689 35.707 1.524 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -0.209 34.495 2.294 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 5.374 35.352 -0.235 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 6.119 35.940 -0.355 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 4.617 35.934 -0.172 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -1.526 33.782 -12.613 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -1.985 33.298 -11.927 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -1.271 33.114 -13.249 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -0.455 32.025 -14.350 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -0.635 31.871 -15.278 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 0.496 32.133 -14.306 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 2.783 34.146 3.021 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 3.736 34.230 2.993 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 2.623 33.435 3.640 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 4.513 30.654 3.586 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 4.705 29.723 3.475 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 5.370 31.079 3.576 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 5.829 33.443 1.664 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 5.548 34.152 1.086 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 6.772 33.370 1.513 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 4.935 26.939 3.394 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 4.838 25.987 3.388 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 4.613 27.208 4.255 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -6.989 37.352 -13.866 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -6.075 37.431 -13.593 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -6.982 36.665 -14.533 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -7.470 40.826 -6.984 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -7.804 39.945 -6.812 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -7.248 41.171 -6.120 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -7.954 26.741 -10.377 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -8.879 26.950 -10.507 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -7.500 27.225 -11.067 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -2.844 39.629 -1.630 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -3.269 40.438 -1.913 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -1.939 39.714 -1.932 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 1.467 41.028 1.329 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 1.652 40.694 2.207 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 2.314 41.337 1.007 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -5.442 42.885 -1.583 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -6.162 43.325 -2.034 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -5.808 42.634 -0.734 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -2.975 42.485 -2.553 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -3.840 42.557 -2.149 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -3.030 43.032 -3.337 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -6.027 41.508 -4.672 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -6.046 41.083 -3.815 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -5.222 41.190 -5.081 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -3.886 40.218 -6.017 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -4.105 39.302 -5.848 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -3.062 40.358 -5.551 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -1.349 40.688 -5.169 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -1.136 39.800 -5.456 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -1.284 40.654 -4.214 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 2.160 26.352 -6.024 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 1.485 25.723 -5.769 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 2.724 25.868 -6.627 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -5.514 24.986 -8.202 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -6.291 24.752 -8.710 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -4.983 24.189 -8.194 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -6.677 24.784 -12.399 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -6.238 25.395 -12.990 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -7.311 25.322 -11.925 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -0.934 24.913 -8.389 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -0.060 25.301 -8.419 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -1.070 24.698 -7.466 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 4.623 24.943 -6.740 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 4.699 25.038 -7.689 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 4.347 24.035 -6.611 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -6.776 40.732 -11.501 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -7.461 40.694 -12.169 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -6.773 41.645 -11.213 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -4.816 26.700 -13.956 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -4.325 26.070 -14.484 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -4.193 26.996 -13.293 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 0.210 26.993 -11.499 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 0.388 26.347 -10.816 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 0.156 27.827 -11.032 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 4.839 24.183 3.033 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 4.915 23.757 3.887 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 5.732 24.197 2.691 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -5.134 33.012 15.624 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -5.092 32.386 16.348 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -4.431 33.635 15.806 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -4.210 37.462 14.159 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -4.580 36.660 13.790 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -3.269 37.293 14.206 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -2.817 28.325 12.037 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -2.774 29.185 11.619 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -3.275 27.773 11.404 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -6.197 30.722 12.799 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -5.543 30.172 13.231 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -6.173 30.448 11.883 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -1.041 32.272 12.015 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -0.425 31.746 12.524 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -1.627 31.632 11.611 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -4.007 27.243 16.111 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -4.226 27.773 15.345 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -4.675 27.470 16.759 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -4.413 29.135 14.064 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -3.800 29.768 14.437 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -3.901 28.663 13.407 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 2.286 33.386 8.064 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 1.574 33.921 7.713 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 2.977 33.442 7.404 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -2.663 34.226 10.899 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -2.993 33.856 10.080 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -2.075 33.556 11.245 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -2.296 32.995 14.532 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -1.731 33.116 13.769 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -1.977 33.632 15.171 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 4.563 32.758 6.701 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 5.142 32.908 7.448 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 4.977 33.229 5.978 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -3.673 33.296 8.488 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -3.965 34.064 7.997 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -4.347 32.636 8.325 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -7.829 38.439 14.187 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -6.883 38.295 14.168 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -7.942 39.223 14.724 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -2.712 25.452 14.342 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -3.573 25.365 13.934 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -2.734 26.308 14.769 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 6.040 33.791 4.331 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 6.082 33.568 3.401 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 6.889 34.189 4.521 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -2.621 30.418 15.437 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -3.263 30.377 16.146 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -2.584 31.344 15.199 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -2.624 30.639 10.349 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -3.517 30.298 10.290 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -2.173 30.262 9.593 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 2.912 31.055 9.166 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 2.503 31.870 8.874 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 3.632 30.915 8.551 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -0.042 28.066 11.435 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -0.953 28.123 11.724 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 0.463 28.006 12.246 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -1.561 29.695 7.918 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -0.629 29.824 8.096 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -1.776 30.365 7.269 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 0.448 35.455 7.421 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -0.296 34.948 7.098 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 0.314 35.504 8.367 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 4.346 28.269 5.620 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 3.408 28.381 5.469 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 4.643 29.126 5.926 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 5.064 30.136 7.281 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 5.956 29.999 7.600 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 5.121 30.927 6.744 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -4.427 34.750 13.190 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -3.682 34.748 12.589 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -4.349 33.926 13.672 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 2.574 36.914 6.446 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 2.279 37.740 6.828 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 1.871 36.294 6.642 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -2.052 38.268 10.595 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -1.525 39.041 10.394 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -2.932 38.493 10.293 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -5.785 27.964 18.063 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -6.678 28.303 17.996 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -5.884 27.109 18.481 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -0.272 38.220 3.708 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -0.033 37.472 3.160 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -0.541 37.832 4.540 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -1.335 37.790 6.164 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -1.188 37.270 6.954 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -1.338 38.697 6.470 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -4.882 35.043 6.674 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -5.568 35.395 7.241 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -4.359 35.806 6.428 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 3.734 27.357 8.050 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 3.954 27.829 7.247 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 4.292 27.752 8.721 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 0.934 29.085 8.885 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 1.746 29.589 8.931 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 0.689 28.940 9.799 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 1.818 26.166 9.823 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 1.471 26.784 10.468 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 2.476 26.667 9.342 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -4.266 37.657 5.571 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -3.674 38.356 5.847 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -3.807 37.224 4.852 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -5.142 25.103 13.360 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -5.371 25.162 12.433 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -5.585 24.311 13.667 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -6.212 39.043 9.521 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -7.044 39.516 9.548 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -5.666 39.553 8.922 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 2.677 36.857 3.673 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 2.409 37.037 4.574 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 2.471 35.931 3.542 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -7.470 40.826 11.872 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -7.804 39.945 12.044 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -7.248 41.171 12.736 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -7.390 33.901 14.323 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -7.206 33.819 13.388 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -6.541 33.777 14.747 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 7.653 27.851 3.809 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 8.263 27.479 4.446 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 6.816 27.429 4.005 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -7.792 29.172 20.464 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -6.873 29.050 20.700 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -8.242 28.422 20.853 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -6.571 27.484 13.355 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -6.126 26.692 13.657 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -6.105 28.200 13.786 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -8.267 30.483 14.424 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -7.775 30.262 13.634 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -7.905 31.324 14.705 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -7.990 25.479 16.823 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -8.655 25.233 17.466 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -8.433 26.101 16.246 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -0.934 24.913 10.467 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -0.060 25.301 10.437 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -1.070 24.698 11.390 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -6.776 40.732 7.355 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -7.461 40.694 6.687 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -6.773 41.645 7.643 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 0.210 26.993 7.357 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 0.388 26.347 8.040 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 0.156 27.827 7.824 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -5.556 25.500 20.171 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -5.922 24.735 20.614 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -4.643 25.529 20.458 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -4.958 41.652 4.380 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -5.226 41.939 5.253 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -4.187 41.106 4.532 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -7.990 44.335 -2.033 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -8.655 44.089 -1.390 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -8.433 44.957 -2.610 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 11.276 -2.053 -1.553 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 10.775 -2.081 -2.368 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 11.282 -2.959 -1.243 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 11.027 0.727 -4.669 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 11.973 0.583 -4.688 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 10.914 1.511 -4.132 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 13.525 -0.730 -0.510 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 13.742 -1.091 0.350 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 12.670 -1.104 -0.720 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 14.104 -2.265 1.728 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 14.837 -2.011 2.289 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 13.324 -2.061 2.243 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 11.437 -4.501 -0.351 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 11.660 -4.919 0.481 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 10.835 -5.114 -0.773 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 12.722 2.057 -2.358 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 12.939 1.125 -2.389 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 12.969 2.331 -1.474 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 11.933 3.944 1.995 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 12.473 3.727 2.754 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 11.452 3.138 1.805 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 11.840 -2.246 2.949 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 11.984 -3.148 2.663 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 11.067 -1.960 2.461 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 11.466 -3.811 -4.533 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 11.650 -3.893 -5.468 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 12.315 -3.935 -4.109 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 13.058 0.942 2.111 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 12.237 1.117 1.651 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 12.806 0.869 3.032 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 11.867 -0.360 4.990 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 12.781 -0.281 5.263 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 11.874 -1.047 4.323 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 10.866 6.623 -2.033 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 10.201 6.377 -1.390 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 10.423 7.245 -2.610 0.00 0.00 WAT1 END