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 13:35:12 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -10.431 -27.705 25.415 1.00 23.41 ATOM 2 CB MET 1 -12.372 -28.547 25.076 1.00 23.13 ATOM 3 HB1 MET 1 -13.404 -28.240 25.191 1.00 38.50 ATOM 4 HB2 MET 1 -12.229 -29.482 25.604 1.00 2.34 ATOM 5 CG MET 1 -12.101 -28.779 23.599 1.00 41.44 ATOM 6 HG1 MET 1 -11.031 -28.817 23.440 1.00 38.50 ATOM 7 HG2 MET 1 -12.513 -27.950 23.042 1.00 61.15 ATOM 8 SD MET 1 -12.843 -30.304 22.987 1.00 1.11 ATOM 9 CE MET 1 -11.423 -31.092 22.231 1.00 51.30 ATOM 10 HE1 MET 1 -10.660 -31.252 22.978 1.00 10.21 ATOM 11 HE2 MET 1 -11.033 -30.457 21.449 1.00 50.04 ATOM 12 HE3 MET 1 -11.720 -32.041 21.810 1.00 32.24 ATOM 13 C MET 1 -11.847 -26.106 25.232 1.00 41.01 ATOM 14 O MET 1 -12.968 -25.654 25.460 1.00 32.45 ATOM 15 N MET 1 -11.514 -27.587 27.164 1.00 24.32 ATOM 16 HT1 MET 1 -12.482 -27.401 27.507 1.00 38.50 ATOM 17 HT2 MET 1 -10.869 -26.890 27.594 1.00 38.50 ATOM 18 HT3 MET 1 -11.226 -28.537 27.482 1.00 38.50 ATOM 19 CA MET 1 -11.453 -27.500 25.710 1.00 74.13 ATOM 20 N GLY 2 -10.916 -25.428 24.567 1.00 21.21 ATOM 21 HN GLY 2 -10.034 -25.836 24.400 1.00 38.50 ATOM 22 CA GLY 2 -11.185 -24.092 24.068 1.00 32.23 ATOM 23 HA1 GLY 2 -12.092 -23.695 24.510 1.00 38.50 ATOM 24 HA2 GLY 2 -11.322 -24.148 22.998 1.00 31.23 ATOM 25 C GLY 2 -10.054 -23.126 24.360 1.00 55.32 ATOM 26 O GLY 2 -9.220 -23.379 25.229 1.00 1.02 ATOM 27 N HIS 3 -10.025 -22.015 23.630 1.00 3.23 ATOM 28 HN HIS 3 -10.713 -21.865 22.940 1.00 38.50 ATOM 29 CA HIS 3 -8.987 -21.007 23.814 1.00 5.14 ATOM 30 HA HIS 3 -8.417 -21.242 24.708 1.00 21.44 ATOM 31 CB HIS 3 -8.038 -20.996 22.615 1.00 13.00 ATOM 32 HB1 HIS 3 -7.452 -20.084 22.622 1.00 38.50 ATOM 33 HB2 HIS 3 -8.616 -21.034 21.704 1.00 1.12 ATOM 34 CG HIS 3 -7.078 -22.145 22.600 1.00 21.13 ATOM 35 ND1 HIS 3 -7.094 -23.127 21.633 1.00 71.25 ATOM 36 HD1 HIS 3 -7.716 -23.176 20.878 1.00 75.43 ATOM 37 CD2 HIS 3 -6.067 -22.465 23.442 1.00 41.33 ATOM 38 HD2 HIS 3 -5.765 -21.911 24.320 1.00 22.10 ATOM 39 CE1 HIS 3 -6.136 -24.002 21.880 1.00 21.22 ATOM 40 HE1 HIS 3 -5.912 -24.877 21.289 1.00 23.34 ATOM 41 NE2 HIS 3 -5.497 -23.623 22.973 1.00 54.15 ATOM 42 HE2 HIS 3 -4.681 -24.038 23.322 1.00 38.50 ATOM 43 C HIS 3 -9.600 -19.623 24.005 1.00 34.22 ATOM 44 O HIS 3 -10.693 -19.344 23.511 1.00 72.12 ATOM 45 N HIS 4 -8.891 -18.761 24.726 1.00 40.51 ATOM 46 HN HIS 4 -8.023 -19.034 25.101 1.00 38.50 ATOM 47 CA HIS 4 -9.366 -17.406 24.982 1.00 15.42 ATOM 48 HA HIS 4 -10.324 -17.264 24.492 1.00 43.44 ATOM 49 CB HIS 4 -9.558 -17.185 26.483 1.00 72.10 ATOM 50 HB1 HIS 4 -9.880 -16.166 26.657 1.00 38.50 ATOM 51 HB2 HIS 4 -8.618 -17.351 26.989 1.00 71.44 ATOM 52 CG HIS 4 -10.577 -18.095 27.097 1.00 71.33 ATOM 53 ND1 HIS 4 -10.280 -18.986 28.107 1.00 42.52 ATOM 54 HD1 HIS 4 -9.399 -19.114 28.516 1.00 2.25 ATOM 55 CD2 HIS 4 -11.897 -18.248 26.839 1.00 71.32 ATOM 56 HD2 HIS 4 -12.473 -17.706 26.102 1.00 1.23 ATOM 57 CE1 HIS 4 -11.372 -19.648 28.443 1.00 72.15 ATOM 58 HE1 HIS 4 -11.440 -20.409 29.206 1.00 24.32 ATOM 59 NE2 HIS 4 -12.368 -19.219 27.688 1.00 30.22 ATOM 60 HE2 HIS 4 -13.308 -19.475 27.794 1.00 38.50 ATOM 61 C HIS 4 -8.391 -16.373 24.425 1.00 72.12 ATOM 62 O HIS 4 -7.184 -16.610 24.370 1.00 71.42 ATOM 63 N HIS 5 -8.923 -15.227 24.012 1.00 44.23 ATOM 64 HN HIS 5 -9.900 -15.098 24.067 1.00 38.50 ATOM 65 CA HIS 5 -8.099 -14.158 23.458 1.00 2.12 ATOM 66 HA HIS 5 -7.107 -14.220 23.890 1.00 30.41 ATOM 67 CB HIS 5 -7.983 -14.308 21.941 1.00 31.01 ATOM 68 HB1 HIS 5 -7.525 -15.261 21.719 1.00 38.50 ATOM 69 HB2 HIS 5 -7.358 -13.518 21.548 1.00 75.01 ATOM 70 CG HIS 5 -9.301 -14.258 21.232 1.00 54.51 ATOM 71 ND1 HIS 5 -10.174 -15.324 21.189 1.00 72.21 ATOM 72 HD1 HIS 5 -10.029 -16.200 21.604 1.00 53.11 ATOM 73 CD2 HIS 5 -9.895 -13.259 20.537 1.00 61.45 ATOM 74 HD2 HIS 5 -9.494 -12.270 20.366 1.00 25.51 ATOM 75 CE1 HIS 5 -11.247 -14.985 20.496 1.00 3.03 ATOM 76 HE1 HIS 5 -12.098 -15.620 20.297 1.00 73.34 ATOM 77 NE2 HIS 5 -11.102 -13.737 20.090 1.00 55.44 ATOM 78 HE2 HIS 5 -11.713 -13.265 19.486 1.00 38.50 ATOM 79 C HIS 5 -8.680 -12.790 23.803 1.00 11.00 ATOM 80 O HIS 5 -9.844 -12.678 24.189 1.00 30.15 ATOM 81 N HIS 6 -7.862 -11.752 23.661 1.00 10.14 ATOM 82 HN HIS 6 -6.935 -11.905 23.359 1.00 38.50 ATOM 83 CA HIS 6 -8.295 -10.391 23.958 1.00 32.12 ATOM 84 HA HIS 6 -9.310 -10.269 23.594 1.00 24.41 ATOM 85 CB HIS 6 -8.282 -10.147 25.467 1.00 3.35 ATOM 86 HB1 HIS 6 -8.888 -10.900 25.949 1.00 38.50 ATOM 87 HB2 HIS 6 -8.699 -9.172 25.674 1.00 73.12 ATOM 88 CG HIS 6 -6.912 -10.203 26.071 1.00 32.11 ATOM 89 ND1 HIS 6 -6.320 -11.377 26.486 1.00 34.42 ATOM 90 HD1 HIS 6 -6.720 -12.270 26.432 1.00 0.24 ATOM 91 CD2 HIS 6 -6.016 -9.221 26.327 1.00 35.12 ATOM 92 HD2 HIS 6 -6.146 -8.167 26.127 1.00 20.43 ATOM 93 CE1 HIS 6 -5.121 -11.115 26.973 1.00 22.12 ATOM 94 HE1 HIS 6 -4.428 -11.841 27.372 1.00 70.53 ATOM 95 NE2 HIS 6 -4.912 -9.814 26.888 1.00 42.32 ATOM 96 HE2 HIS 6 -4.066 -9.363 27.094 1.00 38.50 ATOM 97 C HIS 6 -7.402 -9.372 23.258 1.00 41.41 ATOM 98 O HIS 6 -6.209 -9.606 23.063 1.00 21.41 ATOM 99 N HIS 7 -7.987 -8.239 22.881 1.00 72.33 ATOM 100 HN HIS 7 -8.951 -8.110 23.050 1.00 38.50 ATOM 101 CA HIS 7 -7.244 -7.184 22.202 1.00 50.24 ATOM 102 HA HIS 7 -6.196 -7.264 22.464 1.00 43.11 ATOM 103 CB HIS 7 -7.382 -7.328 20.686 1.00 62.33 ATOM 104 HB1 HIS 7 -6.823 -8.196 20.368 1.00 38.50 ATOM 105 HB2 HIS 7 -6.978 -6.452 20.195 1.00 32.10 ATOM 106 CG HIS 7 -8.797 -7.505 20.227 1.00 4.10 ATOM 107 ND1 HIS 7 -9.158 -8.373 19.218 1.00 1.22 ATOM 108 HD1 HIS 7 -8.547 -8.947 18.710 1.00 10.23 ATOM 109 CD2 HIS 7 -9.943 -6.920 20.647 1.00 61.22 ATOM 110 HD2 HIS 7 -10.046 -6.170 21.409 1.00 50.33 ATOM 111 CE1 HIS 7 -10.465 -8.313 19.036 1.00 0.01 ATOM 112 HE1 HIS 7 -11.029 -8.883 18.312 1.00 13.33 ATOM 113 NE2 HIS 7 -10.965 -7.439 19.891 1.00 72.11 ATOM 114 HE2 HIS 7 -11.920 -7.269 20.032 1.00 38.50 ATOM 115 C HIS 7 -7.733 -5.807 22.640 1.00 51.33 ATOM 116 O HIS 7 -8.759 -5.685 23.309 1.00 34.14 ATOM 117 N HIS 8 -6.992 -4.772 22.258 1.00 4.51 ATOM 118 HN HIS 8 -6.176 -4.933 21.725 1.00 38.50 ATOM 119 CA HIS 8 -7.350 -3.403 22.612 1.00 41.40 ATOM 120 HA HIS 8 -8.369 -3.229 22.286 1.00 2.02 ATOM 121 CB HIS 8 -7.277 -3.209 24.127 1.00 71.31 ATOM 122 HB1 HIS 8 -7.966 -3.882 24.611 1.00 38.50 ATOM 123 HB2 HIS 8 -7.557 -2.193 24.369 1.00 74.03 ATOM 124 CG HIS 8 -5.914 -3.454 24.697 1.00 20.32 ATOM 125 ND1 HIS 8 -4.929 -2.490 24.734 1.00 50.04 ATOM 126 HD1 HIS 8 -5.014 -1.572 24.401 1.00 54.13 ATOM 127 CD2 HIS 8 -5.375 -4.562 25.257 1.00 23.15 ATOM 128 HD2 HIS 8 -5.867 -5.514 25.395 1.00 63.31 ATOM 129 CE1 HIS 8 -3.842 -2.995 25.290 1.00 53.40 ATOM 130 HE1 HIS 8 -2.912 -2.470 25.451 1.00 74.13 ATOM 131 NE2 HIS 8 -4.087 -4.251 25.617 1.00 4.43 ATOM 132 HE2 HIS 8 -3.423 -4.885 25.961 1.00 38.50 ATOM 133 C HIS 8 -6.432 -2.403 21.915 1.00 23.20 ATOM 134 O HIS 8 -5.238 -2.654 21.747 1.00 33.25 ATOM 135 N SER 9 -6.997 -1.270 21.510 1.00 23.23 ATOM 136 HN SER 9 -7.960 -1.124 21.662 1.00 38.50 ATOM 137 CA SER 9 -6.230 -0.235 20.827 1.00 2.03 ATOM 138 HA SER 9 -5.172 -0.441 20.944 1.00 35.23 ATOM 139 CB SER 9 -6.559 -0.229 19.333 1.00 0.22 ATOM 140 HB1 SER 9 -6.230 -1.160 18.895 1.00 38.50 ATOM 141 HB2 SER 9 -6.050 0.593 18.846 1.00 71.04 ATOM 142 OG SER 9 -7.954 -0.098 19.119 1.00 64.21 ATOM 143 HG SER 9 -8.208 0.825 19.200 1.00 43.42 ATOM 144 C SER 9 -6.515 1.138 21.428 1.00 11.12 ATOM 145 O SER 9 -7.605 1.389 21.942 1.00 15.24 ATOM 146 N HIS 10 -5.527 2.024 21.359 1.00 4.24 ATOM 147 HN HIS 10 -4.679 1.771 20.921 1.00 38.50 ATOM 148 CA HIS 10 -5.670 3.373 21.896 1.00 72.12 ATOM 149 HA HIS 10 -6.357 3.343 22.737 1.00 34.23 ATOM 150 CB HIS 10 -4.318 3.899 22.379 1.00 52.25 ATOM 151 HB1 HIS 10 -4.315 4.983 22.352 1.00 38.50 ATOM 152 HB2 HIS 10 -3.537 3.533 21.728 1.00 61.50 ATOM 153 CG HIS 10 -3.982 3.491 23.780 1.00 52.02 ATOM 154 ND1 HIS 10 -4.628 3.999 24.887 1.00 35.31 ATOM 155 HD1 HIS 10 -5.351 4.660 24.874 1.00 72.14 ATOM 156 CD2 HIS 10 -3.063 2.617 24.251 1.00 65.32 ATOM 157 HD2 HIS 10 -2.374 2.031 23.659 1.00 43.41 ATOM 158 CE1 HIS 10 -4.120 3.456 25.979 1.00 64.34 ATOM 159 HE1 HIS 10 -4.431 3.664 26.992 1.00 41.22 ATOM 160 NE2 HIS 10 -3.168 2.613 25.620 1.00 42.10 ATOM 161 HE2 HIS 10 -2.694 2.006 26.225 1.00 38.50 ATOM 162 C HIS 10 -6.251 4.316 20.847 1.00 73.14 ATOM 163 O HIS 10 -7.335 4.870 21.029 1.00 60.14 ATOM 164 N MET 11 -5.523 4.493 19.749 1.00 1.53 ATOM 165 HN MET 11 -4.668 4.008 19.651 1.00 38.50 ATOM 166 CA MET 11 -5.967 5.369 18.671 1.00 0.31 ATOM 167 HA MET 11 -6.385 6.266 19.116 1.00 42.20 ATOM 168 CB MET 11 -4.784 5.760 17.783 1.00 74.24 ATOM 169 HB1 MET 11 -4.536 4.936 17.124 1.00 38.50 ATOM 170 HB2 MET 11 -3.930 5.960 18.418 1.00 73.55 ATOM 171 CG MET 11 -5.037 7.005 16.948 1.00 65.11 ATOM 172 HG1 MET 11 -5.051 7.864 17.603 1.00 38.50 ATOM 173 HG2 MET 11 -5.998 6.911 16.459 1.00 31.32 ATOM 174 SD MET 11 -3.775 7.262 15.686 1.00 41.23 ATOM 175 CE MET 11 -4.648 8.336 14.549 1.00 44.24 ATOM 176 HE1 MET 11 -4.002 8.582 13.719 1.00 35.12 ATOM 177 HE2 MET 11 -4.938 9.242 15.060 1.00 25.10 ATOM 178 HE3 MET 11 -5.530 7.831 14.182 1.00 45.53 ATOM 179 C MET 11 -7.047 4.694 17.832 1.00 31.11 ATOM 180 O MET 11 -6.803 4.295 16.694 1.00 51.01 ATOM 181 N ALA 12 -8.241 4.569 18.402 1.00 31.12 ATOM 182 HN ALA 12 -8.386 4.932 19.307 1.00 38.50 ATOM 183 CA ALA 12 -9.358 3.943 17.706 1.00 54.43 ATOM 184 HA ALA 12 -8.999 3.045 17.216 1.00 65.30 ATOM 185 CB ALA 12 -10.433 3.528 18.699 1.00 33.50 ATOM 186 HB1 ALA 12 -10.831 4.404 19.193 1.00 21.33 ATOM 187 HB2 ALA 12 -10.002 2.867 19.436 1.00 41.14 ATOM 188 HB3 ALA 12 -11.230 3.014 18.180 1.00 1.21 ATOM 189 C ALA 12 -9.942 4.879 16.653 1.00 51.33 ATOM 190 O ALA 12 -10.973 5.515 16.875 1.00 44.51 ATOM 191 N LYS 13 -9.277 4.960 15.505 1.00 21.43 ATOM 192 HN LYS 13 -8.457 4.432 15.376 1.00 38.50 ATOM 193 CA LYS 13 -9.729 5.817 14.417 1.00 53.45 ATOM 194 HA LYS 13 -9.036 5.675 13.600 1.00 3.00 ATOM 195 CB LYS 13 -11.141 5.419 13.979 1.00 65.04 ATOM 196 HB1 LYS 13 -11.730 6.314 13.808 1.00 38.50 ATOM 197 HB2 LYS 13 -11.626 4.835 14.744 1.00 3.23 ATOM 198 CG LYS 13 -11.172 4.598 12.701 1.00 21.54 ATOM 199 HG1 LYS 13 -10.722 3.635 12.904 1.00 38.50 ATOM 200 HG2 LYS 13 -10.606 5.104 11.933 1.00 14.42 ATOM 201 CD LYS 13 -12.594 4.390 12.207 1.00 45.14 ATOM 202 HD1 LYS 13 -12.976 5.329 11.834 1.00 38.50 ATOM 203 HD2 LYS 13 -13.213 4.047 13.026 1.00 60.23 ATOM 204 CE LYS 13 -12.651 3.356 11.092 1.00 4.34 ATOM 205 HE1 LYS 13 -12.265 2.417 11.464 1.00 38.50 ATOM 206 HE2 LYS 13 -12.040 3.695 10.268 1.00 21.33 ATOM 207 NZ LYS 13 -14.041 3.145 10.603 1.00 61.05 ATOM 208 HZ1 LYS 13 -14.045 2.435 9.843 1.00 54.33 ATOM 209 HZ2 LYS 13 -14.433 4.034 10.229 1.00 43.44 ATOM 210 HZ3 LYS 13 -14.650 2.808 11.378 1.00 35.33 ATOM 211 C LYS 13 -9.711 7.284 14.835 1.00 24.15 ATOM 212 O LYS 13 -9.697 7.616 16.021 1.00 34.41 ATOM 213 N PRO 14 -9.711 8.184 13.841 1.00 1.34 ATOM 214 CA PRO 14 -9.696 9.630 14.083 1.00 52.22 ATOM 215 HA PRO 14 -8.880 9.916 14.732 1.00 23.20 ATOM 216 CB PRO 14 -9.473 10.220 12.688 1.00 14.52 ATOM 217 HB1 PRO 14 -8.417 10.380 12.534 1.00 38.50 ATOM 218 HB2 PRO 14 -9.999 11.161 12.578 1.00 44.01 ATOM 219 CG PRO 14 -9.997 9.187 11.751 1.00 11.24 ATOM 220 HG1 PRO 14 -9.479 9.251 10.806 1.00 38.50 ATOM 221 HG2 PRO 14 -11.059 9.325 11.608 1.00 1.23 ATOM 222 CD PRO 14 -9.726 7.860 12.405 1.00 52.30 ATOM 223 HD1 PRO 14 -8.773 7.465 12.084 1.00 38.50 ATOM 224 HD2 PRO 14 -10.517 7.183 12.163 1.00 22.02 ATOM 225 C PRO 14 -11.010 10.133 14.670 1.00 13.15 ATOM 226 O PRO 14 -11.996 9.397 14.736 1.00 42.42 ATOM 227 N THR 15 -11.019 11.392 15.097 1.00 11.23 ATOM 228 HN THR 15 -10.201 11.938 15.028 1.00 38.50 ATOM 229 CA THR 15 -12.212 11.993 15.680 1.00 1.42 ATOM 230 HA THR 15 -13.046 11.308 15.558 1.00 2.34 ATOM 231 CB THR 15 -12.025 12.268 17.184 1.00 31.33 ATOM 232 HB THR 15 -11.541 13.228 17.320 1.00 51.13 ATOM 233 OG1 THR 15 -11.192 11.259 17.767 1.00 73.24 ATOM 234 HG1 THR 15 -11.582 10.381 17.658 1.00 32.43 ATOM 235 CG2 THR 15 -13.367 12.299 17.899 1.00 14.25 ATOM 236 HG21 THR 15 -13.202 12.242 18.965 1.00 25.10 ATOM 237 HG22 THR 15 -13.976 11.460 17.588 1.00 33.44 ATOM 238 HG23 THR 15 -13.877 13.221 17.670 1.00 64.13 ATOM 239 C THR 15 -12.569 13.298 14.978 1.00 53.22 ATOM 240 O THR 15 -11.728 13.911 14.321 1.00 11.34 ATOM 241 N ALA 16 -13.822 13.718 15.121 1.00 71.02 ATOM 242 HN ALA 16 -14.466 13.177 15.629 1.00 38.50 ATOM 243 CA ALA 16 -14.290 14.952 14.502 1.00 44.10 ATOM 244 HA ALA 16 -13.508 15.361 13.872 1.00 32.31 ATOM 245 CB ALA 16 -15.491 14.674 13.611 1.00 61.53 ATOM 246 HB1 ALA 16 -16.311 14.302 14.210 1.00 21.04 ATOM 247 HB2 ALA 16 -15.224 13.933 12.872 1.00 44.22 ATOM 248 HB3 ALA 16 -15.793 15.584 13.112 1.00 72.02 ATOM 249 C ALA 16 -14.642 15.996 15.556 1.00 23.15 ATOM 250 O ALA 16 -14.687 15.696 16.750 1.00 75.35 ATOM 251 N ARG 17 -14.889 17.223 15.109 1.00 62.42 ATOM 252 HN ARG 17 -14.828 17.405 14.140 1.00 38.50 ATOM 253 CA ARG 17 -15.235 18.311 16.015 1.00 42.23 ATOM 254 HA ARG 17 -15.990 17.948 16.704 1.00 51.21 ATOM 255 CB ARG 17 -14.008 18.743 16.819 1.00 5.22 ATOM 256 HB1 ARG 17 -13.797 17.978 17.552 1.00 38.50 ATOM 257 HB2 ARG 17 -14.234 19.666 17.343 1.00 1.32 ATOM 258 CG ARG 17 -12.761 18.936 15.972 1.00 43.44 ATOM 259 HG1 ARG 17 -13.031 19.245 14.974 1.00 38.50 ATOM 260 HG2 ARG 17 -12.229 17.998 15.922 1.00 21.23 ATOM 261 CD ARG 17 -11.836 19.984 16.571 1.00 13.43 ATOM 262 HD1 ARG 17 -11.450 19.595 17.503 1.00 38.50 ATOM 263 HD2 ARG 17 -12.399 20.889 16.761 1.00 51.35 ATOM 264 NE ARG 17 -10.722 20.304 15.683 1.00 23.43 ATOM 265 HE ARG 17 -10.778 20.003 14.746 1.00 21.22 ATOM 266 CZ ARG 17 -9.645 20.980 16.069 1.00 71.51 ATOM 267 NH1 ARG 17 -9.538 21.405 17.320 1.00 33.22 ATOM 268 HH11 ARG 17 -10.253 21.233 17.993 1.00 72.13 ATOM 269 HH12 ARG 17 -8.720 21.911 17.601 1.00 20.53 ATOM 270 NH2 ARG 17 -8.672 21.231 15.202 1.00 34.12 ATOM 271 HH21 ARG 17 -8.747 20.912 14.255 1.00 33.32 ATOM 272 HH22 ARG 17 -7.859 21.741 15.490 1.00 22.42 ATOM 273 C ARG 17 -15.796 19.502 15.244 1.00 40.53 ATOM 274 O ARG 17 -15.142 20.042 14.353 1.00 44.42 ATOM 275 N GLY 18 -17.014 19.907 15.593 1.00 24.22 ATOM 276 HN GLY 18 -17.498 19.448 16.318 1.00 38.50 ATOM 277 CA GLY 18 -17.643 21.031 14.924 1.00 25.41 ATOM 278 HA1 GLY 18 -17.059 21.339 14.064 1.00 38.50 ATOM 279 HA2 GLY 18 -17.691 21.857 15.617 1.00 42.01 ATOM 280 C GLY 18 -19.050 20.715 14.459 1.00 33.42 ATOM 281 O GLY 18 -19.672 19.768 14.941 1.00 4.33 ATOM 282 N GLU 19 -19.555 21.510 13.521 1.00 3.01 ATOM 283 HN GLU 19 -19.010 22.259 13.178 1.00 38.50 ATOM 284 CA GLU 19 -20.899 21.311 12.994 1.00 74.24 ATOM 285 HA GLU 19 -21.005 20.264 12.733 1.00 22.45 ATOM 286 CB GLU 19 -21.945 21.661 14.055 1.00 44.22 ATOM 287 HB1 GLU 19 -21.912 20.906 14.827 1.00 38.50 ATOM 288 HB2 GLU 19 -22.930 21.645 13.600 1.00 42.21 ATOM 289 CG GLU 19 -21.716 23.012 14.711 1.00 13.41 ATOM 290 HG1 GLU 19 -21.253 23.690 14.010 1.00 38.50 ATOM 291 HG2 GLU 19 -21.058 22.875 15.556 1.00 54.25 ATOM 292 CD GLU 19 -23.003 23.647 15.203 1.00 23.45 ATOM 293 OE1 GLU 19 -23.125 23.866 16.427 1.00 61.30 ATOM 294 OE2 GLU 19 -23.887 23.923 14.366 1.00 3.43 ATOM 295 C GLU 19 -21.124 22.157 11.744 1.00 74.44 ATOM 296 O GLU 19 -20.744 23.326 11.696 1.00 63.23 ATOM 297 N ALA 20 -21.745 21.556 10.734 1.00 74.12 ATOM 298 HN ALA 20 -22.042 20.620 10.834 1.00 38.50 ATOM 299 CA ALA 20 -22.023 22.253 9.484 1.00 3.22 ATOM 300 HA ALA 20 -21.251 22.996 9.317 1.00 34.14 ATOM 301 CB ALA 20 -21.980 21.279 8.316 1.00 54.52 ATOM 302 HB1 ALA 20 -22.115 21.816 7.388 1.00 13.24 ATOM 303 HB2 ALA 20 -22.765 20.544 8.425 1.00 74.23 ATOM 304 HB3 ALA 20 -21.023 20.779 8.304 1.00 1.43 ATOM 305 C ALA 20 -23.373 22.960 9.538 1.00 60.22 ATOM 306 O ALA 20 -24.106 22.846 10.519 1.00 24.05 ATOM 307 N GLY 21 -23.696 23.691 8.475 1.00 1.01 ATOM 308 HN GLY 21 -23.066 23.763 7.720 1.00 38.50 ATOM 309 CA GLY 21 -24.958 24.406 8.422 1.00 5.24 ATOM 310 HA1 GLY 21 -24.787 25.430 8.718 1.00 38.50 ATOM 311 HA2 GLY 21 -25.672 23.961 9.106 1.00 71.51 ATOM 312 C GLY 21 -25.570 24.400 7.036 1.00 43.43 ATOM 313 O GLY 21 -26.540 23.687 6.781 1.00 23.30 ATOM 314 N SER 22 -25.003 25.199 6.137 1.00 13.41 ATOM 315 HN SER 22 -24.216 25.736 6.394 1.00 38.50 ATOM 316 CA SER 22 -25.503 25.288 4.770 1.00 30.21 ATOM 317 HA SER 22 -26.574 25.118 4.778 1.00 72.45 ATOM 318 CB SER 22 -25.241 26.682 4.198 1.00 43.21 ATOM 319 HB1 SER 22 -25.642 26.750 3.197 1.00 38.50 ATOM 320 HB2 SER 22 -24.177 26.866 4.171 1.00 62.40 ATOM 321 OG SER 22 -25.850 27.683 4.995 1.00 43.33 ATOM 322 HG SER 22 -26.785 27.742 4.782 1.00 72.13 ATOM 323 C SER 22 -24.851 24.231 3.884 1.00 43.02 ATOM 324 O SER 22 -24.032 23.437 4.346 1.00 23.34 ATOM 325 N ARG 23 -25.220 24.228 2.607 1.00 13.42 ATOM 326 HN ARG 23 -25.892 24.877 2.294 1.00 38.50 ATOM 327 CA ARG 23 -24.673 23.269 1.655 1.00 0.24 ATOM 328 HA ARG 23 -24.718 22.282 2.103 1.00 42.31 ATOM 329 CB ARG 23 -25.493 23.275 0.364 1.00 12.21 ATOM 330 HB1 ARG 23 -24.852 23.010 -0.469 1.00 38.50 ATOM 331 HB2 ARG 23 -25.881 24.270 0.187 1.00 22.51 ATOM 332 CG ARG 23 -26.648 22.287 0.372 1.00 51.14 ATOM 333 HG1 ARG 23 -26.336 21.365 0.847 1.00 38.50 ATOM 334 HG2 ARG 23 -26.933 22.083 -0.650 1.00 2.20 ATOM 335 CD ARG 23 -27.855 22.846 1.109 1.00 2.20 ATOM 336 HD1 ARG 23 -28.733 22.311 0.775 1.00 38.50 ATOM 337 HD2 ARG 23 -27.971 23.897 0.874 1.00 61.32 ATOM 338 NE ARG 23 -27.733 22.690 2.556 1.00 63.21 ATOM 339 HE ARG 23 -26.910 22.280 2.910 1.00 62.20 ATOM 340 CZ ARG 23 -28.672 23.065 3.417 1.00 22.44 ATOM 341 NH1 ARG 23 -29.796 23.614 2.980 1.00 53.21 ATOM 342 HH11 ARG 23 -29.960 23.756 2.005 1.00 34.42 ATOM 343 HH12 ARG 23 -30.499 23.894 3.637 1.00 54.43 ATOM 344 NH2 ARG 23 -28.487 22.889 4.720 1.00 53.23 ATOM 345 HH21 ARG 23 -27.640 22.473 5.057 1.00 30.13 ATOM 346 HH22 ARG 23 -29.194 23.171 5.372 1.00 34.41 ATOM 347 C ARG 23 -23.213 23.585 1.345 1.00 63.54 ATOM 348 O ARG 23 -22.344 22.718 1.450 1.00 53.34 ATOM 349 N ASP 24 -22.950 24.829 0.961 1.00 14.14 ATOM 350 HN ASP 24 -23.695 25.471 0.879 1.00 38.50 ATOM 351 CA ASP 24 -21.596 25.259 0.636 1.00 44.43 ATOM 352 HA ASP 24 -21.268 24.702 -0.230 1.00 13.41 ATOM 353 CB ASP 24 -21.578 26.751 0.300 1.00 53.42 ATOM 354 HB1 ASP 24 -22.170 26.916 -0.588 1.00 38.50 ATOM 355 HB2 ASP 24 -20.562 27.069 0.110 1.00 30.20 ATOM 356 CG ASP 24 -22.149 27.603 1.417 1.00 73.14 ATOM 357 OD1 ASP 24 -21.372 28.021 2.301 1.00 54.33 ATOM 358 OD2 ASP 24 -23.373 27.852 1.406 1.00 22.32 ATOM 359 C ASP 24 -20.642 24.975 1.792 1.00 32.50 ATOM 360 O ASP 24 -19.449 24.756 1.585 1.00 10.41 ATOM 361 N GLU 25 -21.178 24.979 3.009 1.00 44.52 ATOM 362 HN GLU 25 -22.127 25.208 3.128 1.00 38.50 ATOM 363 CA GLU 25 -20.373 24.723 4.198 1.00 40.53 ATOM 364 HA GLU 25 -19.562 25.442 4.216 1.00 55.35 ATOM 365 CB GLU 25 -21.222 24.885 5.460 1.00 14.41 ATOM 366 HB1 GLU 25 -20.847 24.238 6.246 1.00 38.50 ATOM 367 HB2 GLU 25 -22.233 24.592 5.239 1.00 4.34 ATOM 368 CG GLU 25 -21.263 26.310 5.988 1.00 25.41 ATOM 369 HG1 GLU 25 -22.132 26.416 6.620 1.00 38.50 ATOM 370 HG2 GLU 25 -21.341 27.000 5.159 1.00 33.53 ATOM 371 CD GLU 25 -20.034 26.665 6.802 1.00 24.23 ATOM 372 OE1 GLU 25 -19.955 27.812 7.289 1.00 62.10 ATOM 373 OE2 GLU 25 -19.151 25.794 6.953 1.00 44.42 ATOM 374 C GLU 25 -19.769 23.323 4.154 1.00 25.03 ATOM 375 O GLU 25 -18.581 23.139 4.424 1.00 54.22 ATOM 376 N ARG 26 -20.594 22.339 3.814 1.00 72.21 ATOM 377 HN ARG 26 -21.540 22.545 3.619 1.00 38.50 ATOM 378 CA ARG 26 -20.143 20.955 3.737 1.00 65.21 ATOM 379 HA ARG 26 -19.846 20.641 4.725 1.00 10.42 ATOM 380 CB ARG 26 -21.274 20.053 3.240 1.00 14.50 ATOM 381 HB1 ARG 26 -20.858 19.151 2.803 1.00 38.50 ATOM 382 HB2 ARG 26 -21.827 20.576 2.475 1.00 34.42 ATOM 383 CG ARG 26 -22.253 19.648 4.330 1.00 51.11 ATOM 384 HG1 ARG 26 -23.184 19.365 3.865 1.00 38.50 ATOM 385 HG2 ARG 26 -22.425 20.487 4.992 1.00 12.11 ATOM 386 CD ARG 26 -21.729 18.473 5.141 1.00 41.14 ATOM 387 HD1 ARG 26 -20.669 18.600 5.301 1.00 38.50 ATOM 388 HD2 ARG 26 -21.889 17.561 4.585 1.00 21.12 ATOM 389 NE ARG 26 -22.380 18.373 6.444 1.00 54.12 ATOM 390 HE ARG 26 -21.868 18.670 7.228 1.00 4.34 ATOM 391 CZ ARG 26 -23.612 17.907 6.616 1.00 55.33 ATOM 392 NH1 ARG 26 -24.323 17.501 5.572 1.00 25.45 ATOM 393 HH11 ARG 26 -23.961 17.530 4.646 1.00 22.30 ATOM 394 HH12 ARG 26 -25.252 17.154 5.715 1.00 44.12 ATOM 395 NH2 ARG 26 -24.137 17.847 7.833 1.00 5.32 ATOM 396 HH21 ARG 26 -23.606 18.153 8.626 1.00 32.21 ATOM 397 HH22 ARG 26 -25.066 17.496 7.964 1.00 63.25 ATOM 398 C ARG 26 -18.934 20.828 2.814 1.00 73.23 ATOM 399 O ARG 26 -18.070 19.976 3.020 1.00 61.21 ATOM 400 N ARG 27 -18.882 21.680 1.796 1.00 42.44 ATOM 401 HN ARG 27 -19.608 22.331 1.663 1.00 38.50 ATOM 402 CA ARG 27 -17.781 21.662 0.840 1.00 41.41 ATOM 403 HA ARG 27 -17.574 20.635 0.575 1.00 14.32 ATOM 404 CB ARG 27 -18.163 22.433 -0.425 1.00 2.51 ATOM 405 HB1 ARG 27 -17.367 22.347 -1.127 1.00 38.50 ATOM 406 HB2 ARG 27 -18.303 23.476 -0.179 1.00 60.31 ATOM 407 CG ARG 27 -19.436 21.930 -1.084 1.00 74.21 ATOM 408 HG1 ARG 27 -19.713 22.617 -1.871 1.00 38.50 ATOM 409 HG2 ARG 27 -20.230 21.889 -0.354 1.00 61.21 ATOM 410 CD ARG 27 -19.244 20.544 -1.681 1.00 15.33 ATOM 411 HD1 ARG 27 -20.203 20.045 -1.682 1.00 38.50 ATOM 412 HD2 ARG 27 -18.552 19.965 -1.089 1.00 4.53 ATOM 413 NE ARG 27 -18.757 20.603 -3.056 1.00 50.32 ATOM 414 HE ARG 27 -18.616 21.492 -3.459 1.00 4.00 ATOM 415 CZ ARG 27 -18.495 19.527 -3.790 1.00 4.43 ATOM 416 NH1 ARG 27 -18.672 18.316 -3.282 1.00 74.52 ATOM 417 HH11 ARG 27 -19.002 18.187 -2.348 1.00 74.33 ATOM 418 HH12 ARG 27 -18.472 17.509 -3.842 1.00 72.11 ATOM 419 NH2 ARG 27 -18.054 19.663 -5.034 1.00 21.40 ATOM 420 HH21 ARG 27 -17.917 20.576 -5.423 1.00 61.40 ATOM 421 HH22 ARG 27 -17.855 18.853 -5.590 1.00 44.51 ATOM 422 C ARG 27 -16.519 22.263 1.453 1.00 70.51 ATOM 423 O ARG 27 -15.404 21.918 1.064 1.00 64.50 ATOM 424 N ALA 28 -16.704 23.163 2.413 1.00 72.22 ATOM 425 HN ALA 28 -17.611 23.425 2.665 1.00 38.50 ATOM 426 CA ALA 28 -15.581 23.810 3.080 1.00 34.33 ATOM 427 HA ALA 28 -14.851 24.094 2.330 1.00 72.12 ATOM 428 CB ALA 28 -16.044 25.079 3.781 1.00 62.23 ATOM 429 HB1 ALA 28 -15.193 25.594 4.203 1.00 33.25 ATOM 430 HB2 ALA 28 -16.744 24.833 4.566 1.00 4.10 ATOM 431 HB3 ALA 28 -16.527 25.717 3.062 1.00 63.54 ATOM 432 C ALA 28 -14.917 22.865 4.077 1.00 50.55 ATOM 433 O ALA 28 -13.736 22.542 3.948 1.00 65.21 ATOM 434 N LEU 29 -15.682 22.427 5.070 1.00 54.12 ATOM 435 HN LEU 29 -16.610 22.750 5.129 1.00 38.50 ATOM 436 CA LEU 29 -15.167 21.520 6.089 1.00 35.34 ATOM 437 HA LEU 29 -14.365 22.022 6.611 1.00 5.33 ATOM 438 CB LEU 29 -16.268 21.172 7.093 1.00 20.42 ATOM 439 HB1 LEU 29 -16.376 22.027 7.748 1.00 38.50 ATOM 440 HB2 LEU 29 -15.923 20.342 7.704 1.00 71.30 ATOM 441 CG LEU 29 -17.636 20.833 6.499 1.00 2.42 ATOM 442 HG LEU 29 -17.610 20.904 5.421 1.00 53.35 ATOM 443 CD1 LEU 29 -18.024 19.402 6.835 1.00 74.02 ATOM 444 HD11 LEU 29 -18.985 19.177 6.404 1.00 33.35 ATOM 445 HD12 LEU 29 -18.076 19.280 7.908 1.00 32.34 ATOM 446 HD13 LEU 29 -17.285 18.723 6.432 1.00 30.23 ATOM 447 CD2 LEU 29 -18.691 21.807 7.003 1.00 35.31 ATOM 448 HD21 LEU 29 -18.803 21.696 8.073 1.00 44.15 ATOM 449 HD22 LEU 29 -19.636 21.607 6.526 1.00 42.11 ATOM 450 HD23 LEU 29 -18.388 22.821 6.785 1.00 62.22 ATOM 451 C LEU 29 -14.619 20.245 5.457 1.00 64.12 ATOM 452 O LEU 29 -13.723 19.604 6.006 1.00 71.34 ATOM 453 N ALA 30 -15.161 19.885 4.298 1.00 23.31 ATOM 454 HN ALA 30 -15.906 20.404 3.920 1.00 38.50 ATOM 455 CA ALA 30 -14.722 18.689 3.589 1.00 55.25 ATOM 456 HA ALA 30 -14.781 17.848 4.269 1.00 21.43 ATOM 457 CB ALA 30 -15.646 18.404 2.414 1.00 55.32 ATOM 458 HB1 ALA 30 -16.606 18.082 2.786 1.00 23.54 ATOM 459 HB2 ALA 30 -15.228 17.622 1.793 1.00 53.02 ATOM 460 HB3 ALA 30 -15.771 19.302 1.827 1.00 12.54 ATOM 461 C ALA 30 -13.282 18.833 3.109 1.00 72.25 ATOM 462 O ALA 30 -12.519 17.867 3.109 1.00 51.44 ATOM 463 N MET 31 -12.918 20.043 2.699 1.00 3.53 ATOM 464 HN MET 31 -13.567 20.784 2.715 1.00 38.50 ATOM 465 CA MET 31 -11.568 20.312 2.217 1.00 1.50 ATOM 466 HA MET 31 -11.119 19.385 1.888 1.00 10.13 ATOM 467 CB MET 31 -11.609 21.291 1.042 1.00 61.25 ATOM 468 HB1 MET 31 -10.600 21.582 0.780 1.00 38.50 ATOM 469 HB2 MET 31 -12.156 22.171 1.348 1.00 73.14 ATOM 470 CG MET 31 -12.284 20.724 -0.197 1.00 44.53 ATOM 471 HG1 MET 31 -12.338 21.500 -0.941 1.00 38.50 ATOM 472 HG2 MET 31 -13.280 20.397 0.058 1.00 60.03 ATOM 473 SD MET 31 -11.379 19.336 -0.908 1.00 3.13 ATOM 474 CE MET 31 -9.988 20.184 -1.653 1.00 1.05 ATOM 475 HE1 MET 31 -9.827 21.119 -1.153 1.00 71.43 ATOM 476 HE2 MET 31 -10.195 20.366 -2.696 1.00 30.31 ATOM 477 HE3 MET 31 -9.103 19.571 -1.564 1.00 5.33 ATOM 478 C MET 31 -10.694 20.877 3.333 1.00 72.41 ATOM 479 O MET 31 -9.490 21.062 3.159 1.00 64.01 ATOM 480 N LYS 32 -11.309 21.148 4.479 1.00 4.13 ATOM 481 HN LYS 32 -12.265 21.007 4.574 1.00 38.50 ATOM 482 CA LYS 32 -10.587 21.690 5.625 1.00 55.33 ATOM 483 HA LYS 32 -11.286 21.783 6.443 1.00 22.15 ATOM 484 CB LYS 32 -9.460 20.742 6.039 1.00 45.44 ATOM 485 HB1 LYS 32 -9.104 21.049 7.013 1.00 38.50 ATOM 486 HB2 LYS 32 -8.643 20.809 5.334 1.00 32.13 ATOM 487 CG LYS 32 -9.888 19.288 6.125 1.00 74.11 ATOM 488 HG1 LYS 32 -10.105 18.931 5.130 1.00 38.50 ATOM 489 HG2 LYS 32 -10.783 19.214 6.730 1.00 13.33 ATOM 490 CD LYS 32 -8.793 18.418 6.719 1.00 14.04 ATOM 491 HD1 LYS 32 -7.820 18.796 6.428 1.00 38.50 ATOM 492 HD2 LYS 32 -8.910 17.413 6.341 1.00 24.20 ATOM 493 CE LYS 32 -8.875 18.379 8.238 1.00 40.33 ATOM 494 HE1 LYS 32 -9.079 19.372 8.617 1.00 38.50 ATOM 495 HE2 LYS 32 -7.924 18.042 8.622 1.00 23.12 ATOM 496 NZ LYS 32 -9.936 17.449 8.713 1.00 72.24 ATOM 497 HZ1 LYS 32 -9.748 16.482 8.374 1.00 11.14 ATOM 498 HZ2 LYS 32 -10.868 17.752 8.364 1.00 5.32 ATOM 499 HZ3 LYS 32 -9.958 17.439 9.753 1.00 10.13 ATOM 500 C LYS 32 -10.016 23.068 5.306 1.00 54.24 ATOM 501 O LYS 32 -8.803 23.274 5.354 1.00 72.34 ATOM 502 N ILE 33 -10.898 24.008 4.982 1.00 43.35 ATOM 503 HN ILE 33 -11.860 23.787 4.971 1.00 38.50 ATOM 504 CA ILE 33 -10.480 25.367 4.657 1.00 33.25 ATOM 505 HA ILE 33 -9.604 25.284 4.037 1.00 42.12 ATOM 506 CB ILE 33 -11.568 26.116 3.866 1.00 52.14 ATOM 507 HB ILE 33 -12.448 26.202 4.488 1.00 34.02 ATOM 508 CG1 ILE 33 -11.932 25.340 2.598 1.00 55.50 ATOM 509 HG11 ILE 33 -12.726 25.862 2.080 1.00 38.50 ATOM 510 HG12 ILE 33 -12.281 24.353 2.866 1.00 23.21 ATOM 511 CG2 ILE 33 -11.097 27.520 3.517 1.00 11.10 ATOM 512 HG21 ILE 33 -10.231 27.482 2.881 1.00 72.44 ATOM 513 HG22 ILE 33 -10.859 28.056 4.403 1.00 63.21 ATOM 514 HG23 ILE 33 -11.889 28.041 2.998 1.00 41.11 ATOM 515 CD1 ILE 33 -10.777 25.181 1.634 1.00 34.34 ATOM 516 HD11 ILE 33 -11.023 25.677 0.706 1.00 72.23 ATOM 517 HD12 ILE 33 -10.623 24.131 1.438 1.00 44.12 ATOM 518 HD13 ILE 33 -9.864 25.600 2.025 1.00 54.32 ATOM 519 C ILE 33 -10.151 26.157 5.920 1.00 72.43 ATOM 520 O ILE 33 -10.902 26.156 6.896 1.00 41.34 ATOM 521 N PRO 34 -9.002 26.849 5.902 1.00 75.22 ATOM 522 CA PRO 34 -8.548 27.658 7.036 1.00 13.44 ATOM 523 HA PRO 34 -8.524 27.082 7.950 1.00 35.21 ATOM 524 CB PRO 34 -7.123 28.054 6.642 1.00 30.42 ATOM 525 HB1 PRO 34 -6.427 27.341 7.059 1.00 38.50 ATOM 526 HB2 PRO 34 -6.883 29.046 7.006 1.00 22.42 ATOM 527 CG PRO 34 -7.113 28.000 5.153 1.00 11.34 ATOM 528 HG1 PRO 34 -6.117 27.774 4.802 1.00 38.50 ATOM 529 HG2 PRO 34 -7.442 28.930 4.756 1.00 53.40 ATOM 530 CD PRO 34 -8.059 26.895 4.772 1.00 23.14 ATOM 531 HD1 PRO 34 -7.525 25.961 4.680 1.00 38.50 ATOM 532 HD2 PRO 34 -8.542 27.138 3.852 1.00 0.12 ATOM 533 C PRO 34 -9.408 28.901 7.243 1.00 62.12 ATOM 534 O PRO 34 -9.724 29.269 8.375 1.00 64.44 ATOM 535 N PHE 35 -9.784 29.544 6.142 1.00 1.13 ATOM 536 HN PHE 35 -9.533 29.184 5.278 1.00 38.50 ATOM 537 CA PHE 35 -10.607 30.746 6.203 1.00 10.31 ATOM 538 HA PHE 35 -10.491 31.183 7.187 1.00 32.44 ATOM 539 CB PHE 35 -10.133 31.768 5.167 1.00 22.50 ATOM 540 HB1 PHE 35 -9.177 32.162 5.486 1.00 38.50 ATOM 541 HB2 PHE 35 -10.837 32.587 5.107 1.00 61.53 ATOM 542 CG PHE 35 -9.968 31.192 3.790 1.00 61.24 ATOM 543 CD1 PHE 35 -8.738 30.714 3.367 1.00 72.32 ATOM 544 HD1 PHE 35 -7.890 30.766 4.033 1.00 23.41 ATOM 545 CD2 PHE 35 -11.043 31.129 2.917 1.00 2.24 ATOM 546 HD2 PHE 35 -12.008 31.497 3.231 1.00 52.32 ATOM 547 CE1 PHE 35 -8.583 30.183 2.100 1.00 71.20 ATOM 548 HE1 PHE 35 -7.620 29.815 1.791 1.00 3.32 ATOM 549 CE2 PHE 35 -10.894 30.599 1.650 1.00 41.12 ATOM 550 HE2 PHE 35 -11.722 30.555 0.981 1.00 12.42 ATOM 551 CZ PHE 35 -9.662 30.127 1.240 1.00 33.51 ATOM 552 HZ PHE 35 -9.543 29.716 0.251 1.00 24.43 ATOM 553 C PHE 35 -12.077 30.411 5.968 1.00 40.52 ATOM 554 O PHE 35 -12.419 29.404 5.348 1.00 41.45 ATOM 555 N PRO 36 -12.969 31.275 6.475 1.00 4.53 ATOM 556 CA PRO 36 -14.416 31.094 6.334 1.00 73.52 ATOM 557 HA PRO 36 -14.727 30.118 6.683 1.00 14.14 ATOM 558 CB PRO 36 -15.001 32.174 7.248 1.00 64.52 ATOM 559 HB1 PRO 36 -15.189 31.751 8.224 1.00 38.50 ATOM 560 HB2 PRO 36 -15.926 32.566 6.841 1.00 73.15 ATOM 561 CG PRO 36 -13.946 33.223 7.316 1.00 3.31 ATOM 562 HG1 PRO 36 -14.016 33.756 8.252 1.00 38.50 ATOM 563 HG2 PRO 36 -14.056 33.896 6.494 1.00 63.00 ATOM 564 CD PRO 36 -12.632 32.497 7.226 1.00 72.21 ATOM 565 HD1 PRO 36 -12.268 32.254 8.214 1.00 38.50 ATOM 566 HD2 PRO 36 -11.918 33.104 6.703 1.00 61.13 ATOM 567 C PRO 36 -14.889 31.298 4.898 1.00 24.34 ATOM 568 O PRO 36 -14.245 31.997 4.115 1.00 14.42 ATOM 569 N THR 37 -16.017 30.683 4.558 1.00 33.23 ATOM 570 HN THR 37 -16.491 30.144 5.233 1.00 38.50 ATOM 571 CA THR 37 -16.575 30.797 3.217 1.00 74.31 ATOM 572 HA THR 37 -15.783 30.638 2.507 1.00 1.22 ATOM 573 CB THR 37 -17.662 29.734 2.969 1.00 73.24 ATOM 574 HB THR 37 -17.990 29.804 1.940 1.00 11.22 ATOM 575 OG1 THR 37 -18.781 29.965 3.832 1.00 5.45 ATOM 576 HG1 THR 37 -18.537 29.859 4.759 1.00 42.44 ATOM 577 CG2 THR 37 -17.114 28.334 3.204 1.00 14.31 ATOM 578 HG21 THR 37 -16.267 28.161 2.554 1.00 51.52 ATOM 579 HG22 THR 37 -17.884 27.608 2.988 1.00 12.33 ATOM 580 HG23 THR 37 -16.805 28.231 4.233 1.00 24.13 ATOM 581 C THR 37 -17.172 32.180 2.985 1.00 45.40 ATOM 582 O THR 37 -17.039 32.750 1.902 1.00 40.32 ATOM 583 N ASP 38 -17.828 32.716 4.009 1.00 64.25 ATOM 584 HN ASP 38 -17.891 32.211 4.851 1.00 38.50 ATOM 585 CA ASP 38 -18.443 34.035 3.917 1.00 61.35 ATOM 586 HA ASP 38 -19.225 33.988 3.172 1.00 33.23 ATOM 587 CB ASP 38 -19.063 34.427 5.259 1.00 64.42 ATOM 588 HB1 ASP 38 -19.672 35.309 5.123 1.00 38.50 ATOM 589 HB2 ASP 38 -18.277 34.644 5.971 1.00 64.03 ATOM 590 CG ASP 38 -19.930 33.327 5.839 1.00 54.12 ATOM 591 OD1 ASP 38 -19.369 32.331 6.340 1.00 61.10 ATOM 592 OD2 ASP 38 -21.171 33.462 5.791 1.00 52.52 ATOM 593 C ASP 38 -17.420 35.083 3.489 1.00 32.20 ATOM 594 O ASP 38 -17.752 36.043 2.794 1.00 55.04 ATOM 595 N LYS 39 -16.174 34.893 3.910 1.00 35.14 ATOM 596 HN LYS 39 -15.963 34.120 4.484 1.00 38.50 ATOM 597 CA LYS 39 -15.102 35.821 3.572 1.00 61.32 ATOM 598 HA LYS 39 -15.437 36.823 3.786 1.00 20.21 ATOM 599 CB LYS 39 -13.864 35.535 4.425 1.00 32.03 ATOM 600 HB1 LYS 39 -13.589 34.497 4.309 1.00 38.50 ATOM 601 HB2 LYS 39 -14.120 35.720 5.459 1.00 13.25 ATOM 602 CG LYS 39 -12.665 36.395 4.065 1.00 60.44 ATOM 603 HG1 LYS 39 -12.979 37.422 3.961 1.00 38.50 ATOM 604 HG2 LYS 39 -12.265 36.041 3.130 1.00 32.44 ATOM 605 CD LYS 39 -11.572 36.296 5.116 1.00 51.33 ATOM 606 HD1 LYS 39 -10.617 36.436 4.631 1.00 38.50 ATOM 607 HD2 LYS 39 -11.593 35.321 5.586 1.00 60.22 ATOM 608 CE LYS 39 -11.732 37.364 6.187 1.00 23.13 ATOM 609 HE1 LYS 39 -12.653 37.184 6.723 1.00 38.50 ATOM 610 HE2 LYS 39 -11.774 38.336 5.714 1.00 65.32 ATOM 611 NZ LYS 39 -10.599 37.353 7.154 1.00 34.34 ATOM 612 HZ1 LYS 39 -9.700 37.532 6.660 1.00 43.00 ATOM 613 HZ2 LYS 39 -10.541 36.431 7.634 1.00 11.01 ATOM 614 HZ3 LYS 39 -10.739 38.093 7.872 1.00 4.42 ATOM 615 C LYS 39 -14.745 35.724 2.092 1.00 74.31 ATOM 616 O LYS 39 -14.241 36.679 1.502 1.00 44.32 ATOM 617 N ILE 40 -15.012 34.565 1.498 1.00 13.25 ATOM 618 HN ILE 40 -15.403 33.837 2.014 1.00 38.50 ATOM 619 CA ILE 40 -14.722 34.346 0.087 1.00 23.31 ATOM 620 HA ILE 40 -13.684 34.607 -0.091 1.00 71.03 ATOM 621 CB ILE 40 -14.922 32.870 -0.306 1.00 40.10 ATOM 622 HB ILE 40 -15.953 32.606 -0.137 1.00 60.02 ATOM 623 CG1 ILE 40 -14.024 31.967 0.542 1.00 10.33 ATOM 624 HG11 ILE 40 -14.189 32.166 1.591 1.00 38.50 ATOM 625 HG12 ILE 40 -12.990 32.169 0.306 1.00 41.20 ATOM 626 CG2 ILE 40 -14.633 32.673 -1.787 1.00 35.33 ATOM 627 HG21 ILE 40 -15.559 32.445 -2.295 1.00 43.04 ATOM 628 HG22 ILE 40 -13.940 31.861 -1.948 1.00 71.42 ATOM 629 HG23 ILE 40 -14.215 33.562 -2.221 1.00 1.30 ATOM 630 CD1 ILE 40 -14.270 30.491 0.322 1.00 40.25 ATOM 631 HD11 ILE 40 -15.323 30.282 0.432 1.00 13.00 ATOM 632 HD12 ILE 40 -13.720 29.919 1.052 1.00 74.34 ATOM 633 HD13 ILE 40 -13.957 30.209 -0.665 1.00 3.44 ATOM 634 C ILE 40 -15.603 35.220 -0.798 1.00 53.11 ATOM 635 O ILE 40 -15.174 35.685 -1.854 1.00 52.21 ATOM 636 N VAL 41 -16.838 35.442 -0.359 1.00 74.44 ATOM 637 HN VAL 41 -17.141 35.034 0.485 1.00 38.50 ATOM 638 CA VAL 41 -17.781 36.263 -1.110 1.00 45.01 ATOM 639 HA VAL 41 -17.468 36.296 -2.150 1.00 24.45 ATOM 640 CB VAL 41 -19.202 35.672 -1.063 1.00 70.10 ATOM 641 HB VAL 41 -19.586 35.767 -0.055 1.00 45.42 ATOM 642 CG1 VAL 41 -20.129 36.434 -1.998 1.00 64.34 ATOM 643 HG11 VAL 41 -19.708 36.457 -2.994 1.00 50.03 ATOM 644 HG12 VAL 41 -20.264 37.442 -1.640 1.00 33.35 ATOM 645 HG13 VAL 41 -21.094 35.945 -2.032 1.00 73.25 ATOM 646 CG2 VAL 41 -19.175 34.192 -1.415 1.00 11.15 ATOM 647 HG21 VAL 41 -18.816 34.062 -2.427 1.00 34.41 ATOM 648 HG22 VAL 41 -20.173 33.793 -1.331 1.00 2.33 ATOM 649 HG23 VAL 41 -18.529 33.660 -0.732 1.00 63.42 ATOM 650 C VAL 41 -17.817 37.689 -0.572 1.00 22.13 ATOM 651 O VAL 41 -18.157 38.626 -1.292 1.00 0.42 ATOM 652 N ASN 42 -17.463 37.845 0.700 1.00 61.41 ATOM 653 HN ASN 42 -17.207 37.063 1.238 1.00 38.50 ATOM 654 CA ASN 42 -17.455 39.157 1.336 1.00 41.02 ATOM 655 HA ASN 42 -18.377 39.667 1.077 1.00 45.53 ATOM 656 CB ASN 42 -17.369 39.010 2.856 1.00 34.53 ATOM 657 HB1 ASN 42 -16.878 39.878 3.280 1.00 38.50 ATOM 658 HB2 ASN 42 -16.799 38.140 3.106 1.00 1.43 ATOM 659 CG ASN 42 -18.736 38.899 3.504 1.00 11.43 ATOM 660 OD1 ASN 42 -19.010 39.547 4.515 1.00 72.31 ATOM 661 ND2 ASN 42 -19.601 38.076 2.924 1.00 53.14 ATOM 662 HD21 ASN 42 -19.346 37.572 2.129 1.00 63.40 ATOM 663 HD22 ASN 42 -20.490 38.005 3.330 1.00 14.33 ATOM 664 C ASN 42 -16.289 40.000 0.829 1.00 24.11 ATOM 665 O ASN 42 -16.464 41.160 0.454 1.00 65.15 ATOM 666 N LEU 43 -15.099 39.409 0.821 1.00 42.14 ATOM 667 HN LEU 43 -15.020 38.477 1.138 1.00 38.50 ATOM 668 CA LEU 43 -13.902 40.105 0.359 1.00 34.22 ATOM 669 HA LEU 43 -13.817 41.004 0.944 1.00 42.15 ATOM 670 CB LEU 43 -12.666 39.228 0.567 1.00 35.31 ATOM 671 HB1 LEU 43 -11.898 39.521 -0.139 1.00 38.50 ATOM 672 HB2 LEU 43 -12.940 38.211 0.336 1.00 75.03 ATOM 673 CG LEU 43 -12.050 39.257 1.966 1.00 34.23 ATOM 674 HG LEU 43 -12.813 39.017 2.687 1.00 31.23 ATOM 675 CD1 LEU 43 -10.941 38.224 2.082 1.00 24.45 ATOM 676 HD11 LEU 43 -10.610 38.165 3.109 1.00 12.04 ATOM 677 HD12 LEU 43 -10.109 38.510 1.453 1.00 5.02 ATOM 678 HD13 LEU 43 -11.305 37.258 1.767 1.00 75.22 ATOM 679 CD2 LEU 43 -11.523 40.647 2.288 1.00 43.52 ATOM 680 HD21 LEU 43 -11.132 40.655 3.296 1.00 41.25 ATOM 681 HD22 LEU 43 -12.315 41.375 2.216 1.00 50.14 ATOM 682 HD23 LEU 43 -10.730 40.906 1.602 1.00 3.54 ATOM 683 C LEU 43 -14.028 40.486 -1.112 1.00 43.13 ATOM 684 O LEU 43 -14.819 39.914 -1.862 1.00 71.11 ATOM 685 N PRO 44 -13.227 41.475 -1.538 1.00 33.31 ATOM 686 CA PRO 44 -13.228 41.953 -2.924 1.00 30.23 ATOM 687 HA PRO 44 -14.222 42.225 -3.249 1.00 15.32 ATOM 688 CB PRO 44 -12.346 43.203 -2.868 1.00 71.42 ATOM 689 HB1 PRO 44 -12.969 44.072 -2.719 1.00 38.50 ATOM 690 HB2 PRO 44 -11.781 43.319 -3.785 1.00 24.34 ATOM 691 CG PRO 44 -11.451 42.983 -1.698 1.00 11.14 ATOM 692 HG1 PRO 44 -11.141 43.929 -1.281 1.00 38.50 ATOM 693 HG2 PRO 44 -10.613 42.423 -2.022 1.00 51.14 ATOM 694 CD PRO 44 -12.260 42.202 -0.699 1.00 65.42 ATOM 695 HD1 PRO 44 -12.765 42.869 -0.016 1.00 38.50 ATOM 696 HD2 PRO 44 -11.623 41.541 -0.172 1.00 71.35 ATOM 697 C PRO 44 -12.642 40.930 -3.890 1.00 64.52 ATOM 698 O PRO 44 -12.128 39.891 -3.474 1.00 74.33 ATOM 699 N VAL 45 -12.721 41.230 -5.183 1.00 23.13 ATOM 700 HN VAL 45 -13.149 42.076 -5.454 1.00 38.50 ATOM 701 CA VAL 45 -12.196 40.337 -6.209 1.00 32.43 ATOM 702 HA VAL 45 -12.573 39.347 -6.009 1.00 3.41 ATOM 703 CB VAL 45 -12.658 40.764 -7.615 1.00 2.14 ATOM 704 HB VAL 45 -13.727 40.889 -7.605 1.00 64.01 ATOM 705 CG1 VAL 45 -12.040 42.101 -7.996 1.00 35.01 ATOM 706 HG11 VAL 45 -12.502 42.454 -8.906 1.00 45.21 ATOM 707 HG12 VAL 45 -10.977 41.993 -8.162 1.00 23.14 ATOM 708 HG13 VAL 45 -12.208 42.826 -7.213 1.00 1.42 ATOM 709 CG2 VAL 45 -12.308 39.695 -8.638 1.00 63.50 ATOM 710 HG21 VAL 45 -12.749 38.756 -8.355 1.00 44.41 ATOM 711 HG22 VAL 45 -11.237 39.582 -8.710 1.00 12.35 ATOM 712 HG23 VAL 45 -12.697 39.987 -9.604 1.00 41.41 ATOM 713 C VAL 45 -10.672 40.297 -6.176 1.00 55.02 ATOM 714 O VAL 45 -10.058 39.312 -6.585 1.00 60.24 ATOM 715 N ASP 46 -10.069 41.374 -5.687 1.00 3.24 ATOM 716 HN ASP 46 -10.607 42.137 -5.377 1.00 38.50 ATOM 717 CA ASP 46 -8.616 41.463 -5.599 1.00 23.32 ATOM 718 HA ASP 46 -8.194 41.032 -6.502 1.00 4.10 ATOM 719 CB ASP 46 -8.179 42.924 -5.482 1.00 65.33 ATOM 720 HB1 ASP 46 -7.393 43.020 -4.742 1.00 38.50 ATOM 721 HB2 ASP 46 -9.015 43.536 -5.176 1.00 41.03 ATOM 722 CG ASP 46 -7.646 43.475 -6.790 1.00 65.43 ATOM 723 OD1 ASP 46 -8.410 44.161 -7.501 1.00 2.23 ATOM 724 OD2 ASP 46 -6.464 43.220 -7.103 1.00 61.13 ATOM 725 C ASP 46 -8.094 40.666 -4.407 1.00 42.10 ATOM 726 O ASP 46 -7.340 39.707 -4.571 1.00 72.42 ATOM 727 N ASP 47 -8.499 41.071 -3.208 1.00 42.14 ATOM 728 HN ASP 47 -9.094 41.848 -3.146 1.00 38.50 ATOM 729 CA ASP 47 -8.072 40.395 -1.989 1.00 12.45 ATOM 730 HA ASP 47 -7.008 40.550 -1.877 1.00 71.33 ATOM 731 CB ASP 47 -8.793 40.985 -0.775 1.00 22.40 ATOM 732 HB1 ASP 47 -8.488 40.449 0.115 1.00 38.50 ATOM 733 HB2 ASP 47 -9.850 40.870 -0.905 1.00 74.51 ATOM 734 CG ASP 47 -8.475 42.453 -0.569 1.00 60.35 ATOM 735 OD1 ASP 47 -9.117 43.083 0.296 1.00 33.22 ATOM 736 OD2 ASP 47 -7.584 42.972 -1.275 1.00 35.21 ATOM 737 C ASP 47 -8.340 38.896 -2.076 1.00 4.00 ATOM 738 O ASP 47 -7.561 38.086 -1.573 1.00 61.44 ATOM 739 N PHE 48 -9.446 38.534 -2.716 1.00 73.13 ATOM 740 HN PHE 48 -10.046 39.225 -3.083 1.00 38.50 ATOM 741 CA PHE 48 -9.818 37.132 -2.868 1.00 0.02 ATOM 742 HA PHE 48 -9.899 36.696 -1.881 1.00 53.02 ATOM 743 CB PHE 48 -11.172 37.014 -3.570 1.00 52.54 ATOM 744 HB1 PHE 48 -11.151 37.615 -4.470 1.00 38.50 ATOM 745 HB2 PHE 48 -11.940 37.394 -2.911 1.00 14.44 ATOM 746 CG PHE 48 -11.538 35.604 -3.935 1.00 0.01 ATOM 747 CD1 PHE 48 -11.866 35.275 -5.240 1.00 73.21 ATOM 748 HD1 PHE 48 -11.844 36.039 -6.001 1.00 45.31 ATOM 749 CD2 PHE 48 -11.553 34.607 -2.973 1.00 0.45 ATOM 750 HD2 PHE 48 -11.299 34.848 -1.950 1.00 14.11 ATOM 751 CE1 PHE 48 -12.204 33.978 -5.578 1.00 20.11 ATOM 752 HE1 PHE 48 -12.458 33.734 -6.599 1.00 34.11 ATOM 753 CE2 PHE 48 -11.889 33.308 -3.305 1.00 15.55 ATOM 754 HE2 PHE 48 -11.903 32.559 -2.542 1.00 55.35 ATOM 755 CZ PHE 48 -12.214 32.993 -4.609 1.00 54.33 ATOM 756 HZ PHE 48 -12.478 31.981 -4.868 1.00 12.43 ATOM 757 C PHE 48 -8.756 36.370 -3.655 1.00 71.21 ATOM 758 O PHE 48 -8.249 35.344 -3.202 1.00 53.52 ATOM 759 N ASN 49 -8.425 36.879 -4.837 1.00 52.33 ATOM 760 HN ASN 49 -8.869 37.705 -5.147 1.00 38.50 ATOM 761 CA ASN 49 -7.425 36.247 -5.689 1.00 64.31 ATOM 762 HA ASN 49 -7.804 35.277 -5.986 1.00 62.33 ATOM 763 CB ASN 49 -7.176 37.097 -6.937 1.00 24.14 ATOM 764 HB1 ASN 49 -6.266 36.768 -7.426 1.00 38.50 ATOM 765 HB2 ASN 49 -7.062 38.131 -6.642 1.00 71.24 ATOM 766 CG ASN 49 -8.307 36.996 -7.941 1.00 34.42 ATOM 767 OD1 ASN 49 -8.894 35.929 -8.126 1.00 14.32 ATOM 768 ND2 ASN 49 -8.619 38.108 -8.595 1.00 41.32 ATOM 769 HD21 ASN 49 -8.116 38.933 -8.407 1.00 53.04 ATOM 770 HD22 ASN 49 -9.348 38.063 -9.248 1.00 13.33 ATOM 771 C ASN 49 -6.117 36.040 -4.931 1.00 43.51 ATOM 772 O ASN 49 -5.377 35.094 -5.198 1.00 4.34 ATOM 773 N GLU 50 -5.840 36.933 -3.985 1.00 72.23 ATOM 774 HN GLU 50 -6.447 37.692 -3.829 1.00 38.50 ATOM 775 CA GLU 50 -4.622 36.848 -3.189 1.00 45.21 ATOM 776 HA GLU 50 -3.827 36.451 -3.812 1.00 35.34 ATOM 777 CB GLU 50 -4.210 38.237 -2.696 1.00 55.11 ATOM 778 HB1 GLU 50 -3.421 38.128 -1.959 1.00 38.50 ATOM 779 HB2 GLU 50 -5.064 38.706 -2.228 1.00 41.12 ATOM 780 CG GLU 50 -3.713 39.153 -3.802 1.00 13.02 ATOM 781 HG1 GLU 50 -4.565 39.620 -4.273 1.00 38.50 ATOM 782 HG2 GLU 50 -3.172 38.571 -4.536 1.00 51.13 ATOM 783 CD GLU 50 -2.790 40.240 -3.288 1.00 10.54 ATOM 784 OE1 GLU 50 -1.559 40.035 -3.312 1.00 23.43 ATOM 785 OE2 GLU 50 -3.300 41.298 -2.861 1.00 62.11 ATOM 786 C GLU 50 -4.812 35.910 -2.000 1.00 52.45 ATOM 787 O GLU 50 -3.855 35.312 -1.507 1.00 72.13 ATOM 788 N LEU 51 -6.054 35.788 -1.545 1.00 20.33 ATOM 789 HN LEU 51 -6.771 36.319 -1.944 1.00 38.50 ATOM 790 CA LEU 51 -6.372 34.923 -0.413 1.00 42.43 ATOM 791 HA LEU 51 -5.749 35.212 0.418 1.00 4.23 ATOM 792 CB LEU 51 -7.835 35.102 -0.005 1.00 73.24 ATOM 793 HB1 LEU 51 -8.448 34.823 -0.852 1.00 38.50 ATOM 794 HB2 LEU 51 -8.002 36.153 0.195 1.00 33.40 ATOM 795 CG LEU 51 -8.297 34.294 1.208 1.00 0.12 ATOM 796 HG LEU 51 -7.969 33.271 1.113 1.00 73.52 ATOM 797 CD1 LEU 51 -7.694 34.858 2.485 1.00 13.14 ATOM 798 HD11 LEU 51 -8.021 34.270 3.331 1.00 65.53 ATOM 799 HD12 LEU 51 -8.012 35.883 2.618 1.00 35.30 ATOM 800 HD13 LEU 51 -6.615 34.822 2.423 1.00 65.02 ATOM 801 CD2 LEU 51 -9.816 34.281 1.294 1.00 53.24 ATOM 802 HD21 LEU 51 -10.127 33.687 2.143 1.00 23.11 ATOM 803 HD22 LEU 51 -10.226 33.851 0.391 1.00 11.33 ATOM 804 HD23 LEU 51 -10.184 35.291 1.410 1.00 54.12 ATOM 805 C LEU 51 -6.101 33.461 -0.752 1.00 52.04 ATOM 806 O LEU 51 -5.836 32.646 0.133 1.00 41.25 ATOM 807 N LEU 52 -6.168 33.135 -2.038 1.00 42.35 ATOM 808 HN LEU 52 -6.409 33.816 -2.706 1.00 38.50 ATOM 809 CA LEU 52 -5.928 31.771 -2.496 1.00 24.14 ATOM 810 HA LEU 52 -6.530 31.115 -1.896 1.00 13.24 ATOM 811 CB LEU 52 -6.345 31.622 -3.960 1.00 24.22 ATOM 812 HB1 LEU 52 -6.013 30.662 -4.313 1.00 38.50 ATOM 813 HB2 LEU 52 -5.822 32.385 -4.522 1.00 51.13 ATOM 814 CG LEU 52 -7.841 31.749 -4.248 1.00 20.42 ATOM 815 HG LEU 52 -8.236 32.603 -3.715 1.00 12.11 ATOM 816 CD1 LEU 52 -8.081 31.976 -5.732 1.00 55.31 ATOM 817 HD11 LEU 52 -7.706 31.133 -6.296 1.00 31.50 ATOM 818 HD12 LEU 52 -7.570 32.875 -6.048 1.00 40.32 ATOM 819 HD13 LEU 52 -9.141 32.087 -5.915 1.00 25.40 ATOM 820 CD2 LEU 52 -8.583 30.509 -3.769 1.00 51.23 ATOM 821 HD21 LEU 52 -8.147 29.626 -4.216 1.00 11.01 ATOM 822 HD22 LEU 52 -9.616 30.580 -4.064 1.00 63.51 ATOM 823 HD23 LEU 52 -8.514 30.441 -2.694 1.00 23.40 ATOM 824 C LEU 52 -4.459 31.392 -2.332 1.00 51.52 ATOM 825 O LEU 52 -4.137 30.282 -1.911 1.00 73.34 ATOM 826 N ALA 53 -3.572 32.325 -2.666 1.00 35.41 ATOM 827 HN ALA 53 -3.884 33.200 -2.998 1.00 38.50 ATOM 828 CA ALA 53 -2.138 32.090 -2.552 1.00 53.41 ATOM 829 HA ALA 53 -1.936 31.047 -2.770 1.00 50.31 ATOM 830 CB ALA 53 -1.384 32.928 -3.574 1.00 50.00 ATOM 831 HB1 ALA 53 -1.748 32.697 -4.564 1.00 12.32 ATOM 832 HB2 ALA 53 -0.328 32.705 -3.520 1.00 2.53 ATOM 833 HB3 ALA 53 -1.541 33.978 -3.371 1.00 13.14 ATOM 834 C ALA 53 -1.642 32.398 -1.143 1.00 60.23 ATOM 835 O ALA 53 -0.625 31.862 -0.703 1.00 31.34 ATOM 836 N ARG 54 -2.366 33.264 -0.442 1.00 4.21 ATOM 837 HN ARG 54 -3.161 33.676 -0.849 1.00 38.50 ATOM 838 CA ARG 54 -1.997 33.644 0.917 1.00 50.15 ATOM 839 HA ARG 54 -0.978 34.011 0.894 1.00 21.32 ATOM 840 CB ARG 54 -2.930 34.741 1.433 1.00 42.32 ATOM 841 HB1 ARG 54 -3.279 34.467 2.422 1.00 38.50 ATOM 842 HB2 ARG 54 -3.784 34.822 0.789 1.00 3.45 ATOM 843 CG ARG 54 -2.272 36.109 1.519 1.00 32.13 ATOM 844 HG1 ARG 54 -2.445 36.631 0.589 1.00 38.50 ATOM 845 HG2 ARG 54 -1.206 35.994 1.667 1.00 54.03 ATOM 846 CD ARG 54 -2.853 36.936 2.656 1.00 74.35 ATOM 847 HD1 ARG 54 -3.633 36.381 3.164 1.00 38.50 ATOM 848 HD2 ARG 54 -3.280 37.835 2.237 1.00 22.23 ATOM 849 NE ARG 54 -1.835 37.320 3.629 1.00 12.13 ATOM 850 HE ARG 54 -0.895 37.103 3.429 1.00 64.15 ATOM 851 CZ ARG 54 -2.107 37.949 4.767 1.00 1.41 ATOM 852 NH1 ARG 54 -3.358 38.263 5.073 1.00 53.14 ATOM 853 HH11 ARG 54 -4.116 38.039 4.463 1.00 42.04 ATOM 854 HH12 ARG 54 -3.553 38.736 5.935 1.00 73.14 ATOM 855 NH2 ARG 54 -1.126 38.266 5.602 1.00 24.34 ATOM 856 HH21 ARG 54 -0.178 38.032 5.377 1.00 61.44 ATOM 857 HH22 ARG 54 -1.329 38.741 6.461 1.00 0.42 ATOM 858 C ARG 54 -2.046 32.439 1.851 1.00 73.44 ATOM 859 O ARG 54 -1.195 32.284 2.727 1.00 53.21 ATOM 860 N TYR 55 -3.048 31.588 1.657 1.00 21.23 ATOM 861 HN TYR 55 -3.704 31.755 0.941 1.00 38.50 ATOM 862 CA TYR 55 -3.210 30.398 2.484 1.00 31.30 ATOM 863 HA TYR 55 -2.630 30.534 3.390 1.00 50.22 ATOM 864 CB TYR 55 -4.680 30.213 2.866 1.00 4.13 ATOM 865 HB1 TYR 55 -4.860 29.189 3.170 1.00 38.50 ATOM 866 HB2 TYR 55 -5.293 30.421 1.998 1.00 3.11 ATOM 867 CG TYR 55 -5.134 31.125 3.983 1.00 2.33 ATOM 868 CD1 TYR 55 -5.259 30.654 5.284 1.00 0.33 ATOM 869 HD1 TYR 55 -5.019 29.624 5.498 1.00 23.31 ATOM 870 CD2 TYR 55 -5.437 32.459 3.737 1.00 20.05 ATOM 871 HD2 TYR 55 -5.346 32.845 2.731 1.00 20.43 ATOM 872 CE1 TYR 55 -5.674 31.484 6.308 1.00 54.14 ATOM 873 HE1 TYR 55 -5.765 31.098 7.313 1.00 11.15 ATOM 874 CE2 TYR 55 -5.852 33.296 4.755 1.00 43.51 ATOM 875 HE2 TYR 55 -6.077 34.329 4.549 1.00 11.33 ATOM 876 CZ TYR 55 -5.969 32.804 6.038 1.00 14.30 ATOM 877 OH TYR 55 -6.382 33.634 7.055 1.00 51.51 ATOM 878 HH TYR 55 -5.636 33.851 7.623 1.00 62.02 ATOM 879 C TYR 55 -2.702 29.156 1.757 1.00 12.12 ATOM 880 O TYR 55 -2.609 29.118 0.530 1.00 11.02 ATOM 881 N PRO 56 -2.366 28.114 2.532 1.00 1.43 ATOM 882 CA PRO 56 -1.863 26.851 1.985 1.00 22.34 ATOM 883 HA PRO 56 -1.017 27.010 1.331 1.00 32.24 ATOM 884 CB PRO 56 -1.412 26.080 3.229 1.00 12.41 ATOM 885 HB1 PRO 56 -0.362 26.267 3.397 1.00 38.50 ATOM 886 HB2 PRO 56 -1.569 25.015 3.113 1.00 2.33 ATOM 887 CG PRO 56 -2.232 26.641 4.339 1.00 33.25 ATOM 888 HG1 PRO 56 -1.697 26.550 5.273 1.00 38.50 ATOM 889 HG2 PRO 56 -3.178 26.122 4.395 1.00 20.13 ATOM 890 CD PRO 56 -2.451 28.090 4.002 1.00 33.31 ATOM 891 HD1 PRO 56 -1.676 28.699 4.443 1.00 38.50 ATOM 892 HD2 PRO 56 -3.416 28.400 4.353 1.00 30.03 ATOM 893 C PRO 56 -2.941 26.073 1.238 1.00 25.43 ATOM 894 O PRO 56 -3.512 25.118 1.768 1.00 43.41 ATOM 895 N LEU 57 -3.214 26.485 0.005 1.00 20.05 ATOM 896 HN LEU 57 -2.722 27.250 -0.375 1.00 38.50 ATOM 897 CA LEU 57 -4.224 25.826 -0.816 1.00 24.44 ATOM 898 HA LEU 57 -4.735 25.090 -0.219 1.00 70.31 ATOM 899 CB LEU 57 -5.259 26.842 -1.300 1.00 43.32 ATOM 900 HB1 LEU 57 -6.051 26.308 -1.809 1.00 38.50 ATOM 901 HB2 LEU 57 -4.774 27.501 -2.003 1.00 30.44 ATOM 902 CG LEU 57 -5.886 27.727 -0.222 1.00 42.55 ATOM 903 HG LEU 57 -5.112 28.324 0.239 1.00 24.11 ATOM 904 CD1 LEU 57 -6.905 28.674 -0.836 1.00 53.52 ATOM 905 HD11 LEU 57 -7.783 28.123 -1.129 1.00 71.41 ATOM 906 HD12 LEU 57 -6.478 29.141 -1.710 1.00 15.51 ATOM 907 HD13 LEU 57 -7.173 29.431 -0.127 1.00 4.51 ATOM 908 CD2 LEU 57 -6.531 26.874 0.859 1.00 15.04 ATOM 909 HD21 LEU 57 -5.780 26.268 1.345 1.00 64.11 ATOM 910 HD22 LEU 57 -7.281 26.232 0.419 1.00 61.11 ATOM 911 HD23 LEU 57 -6.998 27.514 1.596 1.00 44.24 ATOM 912 C LEU 57 -3.583 25.127 -2.010 1.00 65.32 ATOM 913 O LEU 57 -2.714 25.687 -2.679 1.00 44.21 ATOM 914 N THR 58 -4.018 23.899 -2.275 1.00 33.22 ATOM 915 HN THR 58 -4.697 23.488 -1.696 1.00 38.50 ATOM 916 CA THR 58 -3.488 23.123 -3.389 1.00 53.42 ATOM 917 HA THR 58 -2.508 23.508 -3.658 1.00 5.25 ATOM 918 CB THR 58 -3.334 21.637 -3.016 1.00 25.11 ATOM 919 HB THR 58 -3.254 21.040 -3.918 1.00 34.40 ATOM 920 OG1 THR 58 -4.475 21.197 -2.272 1.00 54.12 ATOM 921 HG1 THR 58 -4.576 20.246 -2.366 1.00 14.21 ATOM 922 CG2 THR 58 -2.071 21.413 -2.197 1.00 15.34 ATOM 923 HG21 THR 58 -1.986 20.365 -1.949 1.00 75.13 ATOM 924 HG22 THR 58 -2.121 21.994 -1.287 1.00 5.34 ATOM 925 HG23 THR 58 -1.207 21.716 -2.772 1.00 61.43 ATOM 926 C THR 58 -4.387 23.237 -4.615 1.00 34.21 ATOM 927 O THR 58 -5.478 23.802 -4.545 1.00 32.01 ATOM 928 N GLU 59 -3.923 22.695 -5.736 1.00 45.45 ATOM 929 HN GLU 59 -3.037 22.259 -5.730 1.00 38.50 ATOM 930 CA GLU 59 -4.686 22.737 -6.978 1.00 35.12 ATOM 931 HA GLU 59 -4.779 23.773 -7.278 1.00 61.32 ATOM 932 CB GLU 59 -3.961 21.956 -8.076 1.00 2.24 ATOM 933 HB1 GLU 59 -4.664 21.738 -8.874 1.00 38.50 ATOM 934 HB2 GLU 59 -3.600 21.024 -7.664 1.00 43.12 ATOM 935 CG GLU 59 -2.780 22.702 -8.674 1.00 10.10 ATOM 936 HG1 GLU 59 -1.967 22.691 -7.963 1.00 38.50 ATOM 937 HG2 GLU 59 -3.070 23.725 -8.873 1.00 3.22 ATOM 938 CD GLU 59 -2.296 22.084 -9.971 1.00 72.23 ATOM 939 OE1 GLU 59 -2.863 21.049 -10.382 1.00 42.43 ATOM 940 OE2 GLU 59 -1.352 22.634 -10.575 1.00 64.42 ATOM 941 C GLU 59 -6.087 22.167 -6.774 1.00 32.30 ATOM 942 O GLU 59 -7.029 22.540 -7.474 1.00 23.14 ATOM 943 N SER 60 -6.216 21.260 -5.811 1.00 70.40 ATOM 944 HN SER 60 -5.428 20.959 -5.306 1.00 38.50 ATOM 945 CA SER 60 -7.500 20.634 -5.517 1.00 60.12 ATOM 946 HA SER 60 -8.024 20.465 -6.451 1.00 4.41 ATOM 947 CB SER 60 -7.288 19.285 -4.828 1.00 62.52 ATOM 948 HB1 SER 60 -8.247 18.839 -4.598 1.00 38.50 ATOM 949 HB2 SER 60 -6.732 19.432 -3.914 1.00 43.34 ATOM 950 OG SER 60 -6.563 18.395 -5.660 1.00 54.23 ATOM 951 HG SER 60 -7.155 18.002 -6.306 1.00 25.33 ATOM 952 C SER 60 -8.356 21.539 -4.636 1.00 72.52 ATOM 953 O SER 60 -9.578 21.581 -4.775 1.00 72.23 ATOM 954 N GLN 61 -7.705 22.260 -3.730 1.00 4.10 ATOM 955 HN GLN 61 -6.728 22.177 -3.650 1.00 38.50 ATOM 956 CA GLN 61 -8.406 23.164 -2.826 1.00 22.55 ATOM 957 HA GLN 61 -9.289 22.669 -2.458 1.00 73.34 ATOM 958 CB GLN 61 -7.512 23.526 -1.638 1.00 61.14 ATOM 959 HB1 GLN 61 -8.019 24.273 -1.036 1.00 38.50 ATOM 960 HB2 GLN 61 -6.597 23.946 -2.012 1.00 52.43 ATOM 961 CG GLN 61 -7.178 22.343 -0.744 1.00 72.54 ATOM 962 HG1 GLN 61 -6.488 21.704 -1.259 1.00 38.50 ATOM 963 HG2 GLN 61 -8.077 21.794 -0.535 1.00 54.22 ATOM 964 CD GLN 61 -6.559 22.763 0.574 1.00 54.20 ATOM 965 OE1 GLN 61 -5.363 23.043 0.650 1.00 64.00 ATOM 966 NE2 GLN 61 -7.373 22.811 1.622 1.00 34.51 ATOM 967 HE21 GLN 61 -8.322 22.578 1.504 1.00 31.21 ATOM 968 HE22 GLN 61 -6.991 23.080 2.483 1.00 41.45 ATOM 969 C GLN 61 -8.844 24.430 -3.553 1.00 3.51 ATOM 970 O GLN 61 -10.015 24.810 -3.511 1.00 60.44 ATOM 971 N LEU 62 -7.896 25.082 -4.218 1.00 73.25 ATOM 972 HN LEU 62 -6.978 24.728 -4.213 1.00 38.50 ATOM 973 CA LEU 62 -8.184 26.307 -4.956 1.00 0.44 ATOM 974 HA LEU 62 -8.444 27.073 -4.239 1.00 53.42 ATOM 975 CB LEU 62 -6.951 26.753 -5.745 1.00 34.45 ATOM 976 HB1 LEU 62 -7.292 27.374 -6.569 1.00 38.50 ATOM 977 HB2 LEU 62 -6.487 25.872 -6.174 1.00 62.41 ATOM 978 CG LEU 62 -5.902 27.542 -4.961 1.00 51.11 ATOM 979 HG LEU 62 -6.361 27.998 -4.093 1.00 64.15 ATOM 980 CD1 LEU 62 -4.798 26.620 -4.469 1.00 22.43 ATOM 981 HD11 LEU 62 -4.349 26.104 -5.307 1.00 53.21 ATOM 982 HD12 LEU 62 -5.222 25.909 -3.797 1.00 63.44 ATOM 983 HD13 LEU 62 -4.043 27.199 -3.959 1.00 33.14 ATOM 984 CD2 LEU 62 -5.324 28.658 -5.819 1.00 12.31 ATOM 985 HD21 LEU 62 -6.118 29.320 -6.135 1.00 2.12 ATOM 986 HD22 LEU 62 -4.841 28.237 -6.690 1.00 5.11 ATOM 987 HD23 LEU 62 -4.600 29.220 -5.244 1.00 52.52 ATOM 988 C LEU 62 -9.364 26.109 -5.902 1.00 45.42 ATOM 989 O LEU 62 -10.181 27.010 -6.088 1.00 42.42 ATOM 990 N ALA 63 -9.446 24.923 -6.496 1.00 53.42 ATOM 991 HN ALA 63 -8.752 24.243 -6.326 1.00 38.50 ATOM 992 CA ALA 63 -10.528 24.606 -7.420 1.00 30.40 ATOM 993 HA ALA 63 -10.474 25.285 -8.253 1.00 35.54 ATOM 994 CB ALA 63 -10.369 23.189 -7.951 1.00 34.51 ATOM 995 HB1 ALA 63 -9.401 23.090 -8.421 1.00 15.24 ATOM 996 HB2 ALA 63 -11.142 22.984 -8.678 1.00 61.10 ATOM 997 HB3 ALA 63 -10.444 22.484 -7.135 1.00 21.40 ATOM 998 C ALA 63 -11.888 24.773 -6.751 1.00 31.30 ATOM 999 O ALA 63 -12.860 25.179 -7.390 1.00 1.15 ATOM 1000 N LEU 64 -11.951 24.456 -5.462 1.00 51.24 ATOM 1001 HN LEU 64 -11.148 24.125 -5.001 1.00 38.50 ATOM 1002 CA LEU 64 -13.193 24.571 -4.706 1.00 74.22 ATOM 1003 HA LEU 64 -14.010 24.235 -5.333 1.00 10.11 ATOM 1004 CB LEU 64 -13.140 23.683 -3.462 1.00 4.14 ATOM 1005 HB1 LEU 64 -12.245 23.953 -2.921 1.00 38.50 ATOM 1006 HB2 LEU 64 -13.024 22.658 -3.795 1.00 32.34 ATOM 1007 CG LEU 64 -14.341 23.774 -2.520 1.00 3.53 ATOM 1008 HG LEU 64 -14.878 24.698 -2.675 1.00 62.41 ATOM 1009 CD1 LEU 64 -15.318 22.641 -2.790 1.00 14.40 ATOM 1010 HD11 LEU 64 -14.972 21.724 -2.330 1.00 61.42 ATOM 1011 HD12 LEU 64 -15.420 22.487 -3.858 1.00 10.54 ATOM 1012 HD13 LEU 64 -16.273 22.907 -2.390 1.00 61.44 ATOM 1013 CD2 LEU 64 -13.883 23.752 -1.068 1.00 73.25 ATOM 1014 HD21 LEU 64 -14.573 24.340 -0.480 1.00 11.35 ATOM 1015 HD22 LEU 64 -12.892 24.175 -0.965 1.00 1.24 ATOM 1016 HD23 LEU 64 -13.884 22.749 -0.692 1.00 53.41 ATOM 1017 C LEU 64 -13.453 26.018 -4.302 1.00 11.34 ATOM 1018 O LEU 64 -14.547 26.545 -4.507 1.00 21.34 ATOM 1019 N VAL 65 -12.439 26.658 -3.727 1.00 71.13 ATOM 1020 HN VAL 65 -11.587 26.182 -3.611 1.00 38.50 ATOM 1021 CA VAL 65 -12.556 28.046 -3.297 1.00 12.01 ATOM 1022 HA VAL 65 -13.253 28.081 -2.474 1.00 53.15 ATOM 1023 CB VAL 65 -11.203 28.600 -2.813 1.00 21.44 ATOM 1024 HB VAL 65 -10.528 28.635 -3.655 1.00 42.11 ATOM 1025 CG1 VAL 65 -11.367 30.009 -2.266 1.00 13.34 ATOM 1026 HG11 VAL 65 -11.593 30.669 -3.078 1.00 44.12 ATOM 1027 HG12 VAL 65 -10.454 30.331 -1.787 1.00 24.54 ATOM 1028 HG13 VAL 65 -12.167 30.034 -1.549 1.00 53.33 ATOM 1029 CG2 VAL 65 -10.596 27.679 -1.764 1.00 41.52 ATOM 1030 HG21 VAL 65 -9.811 28.193 -1.237 1.00 21.54 ATOM 1031 HG22 VAL 65 -10.179 26.813 -2.241 1.00 32.32 ATOM 1032 HG23 VAL 65 -11.354 27.371 -1.055 1.00 72.51 ATOM 1033 C VAL 65 -13.080 28.929 -4.424 1.00 63.33 ATOM 1034 O VAL 65 -14.020 29.700 -4.236 1.00 53.44 ATOM 1035 N ARG 66 -12.465 28.809 -5.596 1.00 44.13 ATOM 1036 HN ARG 66 -11.713 28.175 -5.684 1.00 38.50 ATOM 1037 CA ARG 66 -12.868 29.597 -6.755 1.00 31.22 ATOM 1038 HA ARG 66 -12.692 30.639 -6.531 1.00 64.12 ATOM 1039 CB ARG 66 -12.040 29.203 -7.979 1.00 42.43 ATOM 1040 HB1 ARG 66 -12.468 29.668 -8.861 1.00 38.50 ATOM 1041 HB2 ARG 66 -12.081 28.129 -8.094 1.00 13.43 ATOM 1042 CG ARG 66 -10.581 29.618 -7.886 1.00 45.24 ATOM 1043 HG1 ARG 66 -10.115 29.106 -7.065 1.00 38.50 ATOM 1044 HG2 ARG 66 -10.532 30.684 -7.717 1.00 1.24 ATOM 1045 CD ARG 66 -9.827 29.297 -9.168 1.00 15.31 ATOM 1046 HD1 ARG 66 -8.880 29.817 -9.148 1.00 38.50 ATOM 1047 HD2 ARG 66 -10.410 29.651 -10.010 1.00 33.41 ATOM 1048 NE ARG 66 -9.576 27.866 -9.311 1.00 62.11 ATOM 1049 HE ARG 66 -9.670 27.300 -8.511 1.00 51.32 ATOM 1050 CZ ARG 66 -9.221 27.293 -10.456 1.00 23.03 ATOM 1051 NH1 ARG 66 -9.076 28.026 -11.551 1.00 2.21 ATOM 1052 HH11 ARG 66 -9.224 29.012 -11.545 1.00 75.24 ATOM 1053 HH12 ARG 66 -8.811 27.582 -12.410 1.00 51.53 ATOM 1054 NH2 ARG 66 -9.009 25.984 -10.506 1.00 72.04 ATOM 1055 HH21 ARG 66 -9.108 25.425 -9.687 1.00 12.12 ATOM 1056 HH22 ARG 66 -8.748 25.550 -11.371 1.00 72.21 ATOM 1057 C ARG 66 -14.353 29.408 -7.050 1.00 13.10 ATOM 1058 O ARG 66 -15.024 30.327 -7.520 1.00 75.35 ATOM 1059 N ASP 67 -14.859 28.212 -6.771 1.00 71.10 ATOM 1060 HN ASP 67 -14.274 27.505 -6.422 1.00 38.50 ATOM 1061 CA ASP 67 -16.265 27.902 -7.006 1.00 3.41 ATOM 1062 HA ASP 67 -16.544 28.333 -7.961 1.00 72.35 ATOM 1063 CB ASP 67 -16.476 26.388 -7.042 1.00 15.14 ATOM 1064 HB1 ASP 67 -16.929 26.048 -6.118 1.00 38.50 ATOM 1065 HB2 ASP 67 -15.521 25.893 -7.161 1.00 54.45 ATOM 1066 CG ASP 67 -17.361 25.954 -8.194 1.00 14.33 ATOM 1067 OD1 ASP 67 -17.161 26.458 -9.319 1.00 3.12 ATOM 1068 OD2 ASP 67 -18.254 25.110 -7.970 1.00 50.33 ATOM 1069 C ASP 67 -17.146 28.526 -5.928 1.00 40.54 ATOM 1070 O ASP 67 -18.180 29.124 -6.228 1.00 32.11 ATOM 1071 N ILE 68 -16.730 28.383 -4.675 1.00 31.23 ATOM 1072 HN ILE 68 -15.883 27.913 -4.505 1.00 38.50 ATOM 1073 CA ILE 68 -17.482 28.932 -3.553 1.00 43.43 ATOM 1074 HA ILE 68 -18.414 28.387 -3.477 1.00 0.43 ATOM 1075 CB ILE 68 -16.713 28.772 -2.228 1.00 54.31 ATOM 1076 HB ILE 68 -15.778 29.311 -2.314 1.00 12.13 ATOM 1077 CG1 ILE 68 -16.423 27.295 -1.957 1.00 62.20 ATOM 1078 HG11 ILE 68 -16.163 26.785 -2.864 1.00 38.50 ATOM 1079 HG12 ILE 68 -17.307 26.824 -1.546 1.00 30.00 ATOM 1080 CG2 ILE 68 -17.505 29.381 -1.080 1.00 43.42 ATOM 1081 HG21 ILE 68 -18.528 29.030 -1.110 1.00 20.12 ATOM 1082 HG22 ILE 68 -17.492 30.458 -1.155 1.00 41.35 ATOM 1083 HG23 ILE 68 -17.061 29.093 -0.136 1.00 44.41 ATOM 1084 CD1 ILE 68 -15.294 27.071 -0.976 1.00 4.23 ATOM 1085 HD11 ILE 68 -14.924 28.012 -0.597 1.00 1.13 ATOM 1086 HD12 ILE 68 -14.490 26.546 -1.470 1.00 22.54 ATOM 1087 HD13 ILE 68 -15.652 26.472 -0.151 1.00 3.23 ATOM 1088 C ILE 68 -17.794 30.409 -3.772 1.00 31.13 ATOM 1089 O ILE 68 -18.851 30.896 -3.371 1.00 74.03 ATOM 1090 N ARG 69 -16.868 31.116 -4.411 1.00 23.31 ATOM 1091 HN ARG 69 -16.028 30.683 -4.691 1.00 38.50 ATOM 1092 CA ARG 69 -17.044 32.537 -4.684 1.00 33.04 ATOM 1093 HA ARG 69 -17.367 33.020 -3.768 1.00 33.25 ATOM 1094 CB ARG 69 -15.721 33.161 -5.130 1.00 24.34 ATOM 1095 HB1 ARG 69 -15.452 32.773 -6.106 1.00 38.50 ATOM 1096 HB2 ARG 69 -14.957 32.871 -4.430 1.00 12.35 ATOM 1097 CG ARG 69 -15.751 34.679 -5.186 1.00 55.34 ATOM 1098 HG1 ARG 69 -14.771 35.052 -4.927 1.00 38.50 ATOM 1099 HG2 ARG 69 -16.476 35.061 -4.479 1.00 62.34 ATOM 1100 CD ARG 69 -16.108 35.178 -6.578 1.00 73.52 ATOM 1101 HD1 ARG 69 -17.034 34.728 -6.891 1.00 38.50 ATOM 1102 HD2 ARG 69 -15.335 34.884 -7.271 1.00 70.31 ATOM 1103 NE ARG 69 -16.284 36.627 -6.612 1.00 60.13 ATOM 1104 HE ARG 69 -17.202 36.968 -6.577 1.00 12.25 ATOM 1105 CZ ARG 69 -15.275 37.488 -6.688 1.00 72.12 ATOM 1106 NH1 ARG 69 -14.026 37.047 -6.738 1.00 43.41 ATOM 1107 HH11 ARG 69 -13.829 36.077 -6.732 1.00 63.12 ATOM 1108 HH12 ARG 69 -13.272 37.689 -6.769 1.00 61.25 ATOM 1109 NH2 ARG 69 -15.516 38.793 -6.715 1.00 25.41 ATOM 1110 HH21 ARG 69 -16.459 39.132 -6.687 1.00 12.42 ATOM 1111 HH22 ARG 69 -14.767 39.436 -6.735 1.00 21.41 ATOM 1112 C ARG 69 -18.109 32.757 -5.754 1.00 61.14 ATOM 1113 O ARG 69 -19.084 33.476 -5.536 1.00 32.44 ATOM 1114 N ARG 70 -17.914 32.134 -6.912 1.00 60.11 ATOM 1115 HN ARG 70 -17.111 31.571 -7.027 1.00 38.50 ATOM 1116 CA ARG 70 -18.856 32.263 -8.017 1.00 40.02 ATOM 1117 HA ARG 70 -18.868 33.299 -8.322 1.00 11.41 ATOM 1118 CB ARG 70 -18.409 31.401 -9.199 1.00 74.24 ATOM 1119 HB1 ARG 70 -18.268 30.388 -8.852 1.00 38.50 ATOM 1120 HB2 ARG 70 -17.465 31.776 -9.570 1.00 44.54 ATOM 1121 CG ARG 70 -19.408 31.374 -10.345 1.00 43.12 ATOM 1122 HG1 ARG 70 -20.381 31.077 -9.988 1.00 38.50 ATOM 1123 HG2 ARG 70 -19.068 30.654 -11.074 1.00 43.12 ATOM 1124 CD ARG 70 -19.515 32.731 -11.022 1.00 40.44 ATOM 1125 HD1 ARG 70 -18.583 32.956 -11.519 1.00 38.50 ATOM 1126 HD2 ARG 70 -19.705 33.486 -10.272 1.00 73.13 ATOM 1127 NE ARG 70 -20.611 32.777 -11.987 1.00 21.13 ATOM 1128 HE ARG 70 -21.439 33.226 -11.707 1.00 44.03 ATOM 1129 CZ ARG 70 -20.541 32.249 -13.204 1.00 11.42 ATOM 1130 NH1 ARG 70 -19.434 31.639 -13.603 1.00 43.31 ATOM 1131 HH11 ARG 70 -18.637 31.559 -13.011 1.00 12.33 ATOM 1132 HH12 ARG 70 -19.393 31.245 -14.524 1.00 32.13 ATOM 1133 NH2 ARG 70 -21.581 32.331 -14.024 1.00 42.22 ATOM 1134 HH21 ARG 70 -22.421 32.791 -13.728 1.00 14.23 ATOM 1135 HH22 ARG 70 -21.531 31.934 -14.943 1.00 13.21 ATOM 1136 C ARG 70 -20.262 31.860 -7.583 1.00 12.32 ATOM 1137 O ARG 70 -21.224 32.599 -7.797 1.00 21.51 ATOM 1138 N ARG 71 -20.374 30.685 -6.972 1.00 44.14 ATOM 1139 HN ARG 71 -19.566 30.140 -6.824 1.00 38.50 ATOM 1140 CA ARG 71 -21.662 30.184 -6.510 1.00 20.44 ATOM 1141 HA ARG 71 -22.362 30.232 -7.335 1.00 20.32 ATOM 1142 CB ARG 71 -21.535 28.727 -6.060 1.00 24.10 ATOM 1143 HB1 ARG 71 -22.507 28.379 -5.730 1.00 38.50 ATOM 1144 HB2 ARG 71 -20.842 28.674 -5.231 1.00 74.13 ATOM 1145 CG ARG 71 -21.038 27.794 -7.152 1.00 70.41 ATOM 1146 HG1 ARG 71 -20.018 28.044 -7.394 1.00 38.50 ATOM 1147 HG2 ARG 71 -21.657 27.916 -8.029 1.00 22.30 ATOM 1148 CD ARG 71 -21.100 26.339 -6.713 1.00 12.24 ATOM 1149 HD1 ARG 71 -20.944 25.725 -7.589 1.00 38.50 ATOM 1150 HD2 ARG 71 -22.078 26.129 -6.298 1.00 62.33 ATOM 1151 NE ARG 71 -20.078 26.024 -5.718 1.00 71.43 ATOM 1152 HE ARG 71 -19.632 26.775 -5.260 1.00 40.04 ATOM 1153 CZ ARG 71 -19.724 24.785 -5.396 1.00 60.51 ATOM 1154 NH1 ARG 71 -20.306 23.750 -5.987 1.00 52.30 ATOM 1155 HH11 ARG 71 -21.016 23.872 -6.676 1.00 71.24 ATOM 1156 HH12 ARG 71 -20.028 22.819 -5.738 1.00 42.25 ATOM 1157 NH2 ARG 71 -18.785 24.578 -4.481 1.00 52.24 ATOM 1158 HH21 ARG 71 -18.341 25.355 -4.031 1.00 1.41 ATOM 1159 HH22 ARG 71 -18.517 23.644 -4.236 1.00 64.55 ATOM 1160 C ARG 71 -22.197 31.036 -5.363 1.00 11.22 ATOM 1161 O ARG 71 -23.406 31.207 -5.215 1.00 14.22 ATOM 1162 N GLY 72 -21.287 31.569 -4.553 1.00 62.30 ATOM 1163 HN GLY 72 -20.331 31.395 -4.692 1.00 38.50 ATOM 1164 CA GLY 72 -21.687 32.396 -3.430 1.00 5.12 ATOM 1165 HA1 GLY 72 -20.827 32.562 -2.814 1.00 38.50 ATOM 1166 HA2 GLY 72 -22.436 31.875 -2.846 1.00 14.33 ATOM 1167 C GLY 72 -22.247 33.735 -3.867 1.00 12.04 ATOM 1168 O GLY 72 -23.214 34.231 -3.287 1.00 61.13 ATOM 1169 N LYS 73 -21.639 34.324 -4.891 1.00 22.34 ATOM 1170 HN LYS 73 -20.869 33.882 -5.320 1.00 38.50 ATOM 1171 CA LYS 73 -22.082 35.614 -5.405 1.00 61.15 ATOM 1172 HA LYS 73 -22.338 36.250 -4.566 1.00 62.23 ATOM 1173 CB LYS 73 -20.957 36.283 -6.199 1.00 12.23 ATOM 1174 HB1 LYS 73 -20.701 35.648 -7.037 1.00 38.50 ATOM 1175 HB2 LYS 73 -20.087 36.372 -5.561 1.00 24.31 ATOM 1176 CG LYS 73 -21.328 37.652 -6.742 1.00 44.31 ATOM 1177 HG1 LYS 73 -22.392 37.743 -6.869 1.00 38.50 ATOM 1178 HG2 LYS 73 -20.859 37.772 -7.709 1.00 65.13 ATOM 1179 CD LYS 73 -20.861 38.764 -5.817 1.00 41.15 ATOM 1180 HD1 LYS 73 -20.894 38.428 -4.787 1.00 38.50 ATOM 1181 HD2 LYS 73 -21.523 39.609 -5.936 1.00 11.24 ATOM 1182 CE LYS 73 -19.445 39.209 -6.151 1.00 71.00 ATOM 1183 HE1 LYS 73 -19.481 39.866 -7.007 1.00 38.50 ATOM 1184 HE2 LYS 73 -18.842 38.344 -6.388 1.00 12.55 ATOM 1185 NZ LYS 73 -18.809 39.932 -5.015 1.00 50.55 ATOM 1186 HZ1 LYS 73 -18.758 39.316 -4.177 1.00 12.24 ATOM 1187 HZ2 LYS 73 -19.358 40.783 -4.774 1.00 54.35 ATOM 1188 HZ3 LYS 73 -17.845 40.222 -5.275 1.00 22.42 ATOM 1189 C LYS 73 -23.315 35.453 -6.289 1.00 31.13 ATOM 1190 O LYS 73 -24.174 36.332 -6.338 1.00 1.34 ATOM 1191 N ASN 74 -23.396 34.323 -6.984 1.00 0.11 ATOM 1192 HN ASN 74 -22.668 33.661 -6.927 1.00 38.50 ATOM 1193 CA ASN 74 -24.525 34.047 -7.865 1.00 31.23 ATOM 1194 HA ASN 74 -24.489 34.751 -8.684 1.00 42.10 ATOM 1195 CB ASN 74 -24.425 32.627 -8.426 1.00 52.13 ATOM 1196 HB1 ASN 74 -24.183 31.946 -7.622 1.00 38.50 ATOM 1197 HB2 ASN 74 -23.637 32.593 -9.165 1.00 52.43 ATOM 1198 CG ASN 74 -25.721 32.166 -9.066 1.00 24.11 ATOM 1199 OD1 ASN 74 -26.634 31.704 -8.382 1.00 1.45 ATOM 1200 ND2 ASN 74 -25.805 32.289 -10.385 1.00 72.25 ATOM 1201 HD21 ASN 74 -25.043 32.665 -10.881 1.00 30.11 ATOM 1202 HD22 ASN 74 -26.634 31.997 -10.818 1.00 2.02 ATOM 1203 C ASN 74 -25.848 34.221 -7.124 1.00 62.05 ATOM 1204 O ASN 74 -26.789 34.822 -7.644 1.00 25.12 ATOM 1205 N LYS 75 -25.912 33.692 -5.907 1.00 75.45 ATOM 1206 HN LYS 75 -25.131 33.208 -5.547 1.00 38.50 ATOM 1207 CA LYS 75 -27.118 33.789 -5.093 1.00 51.23 ATOM 1208 HA LYS 75 -27.898 33.230 -5.595 1.00 71.02 ATOM 1209 CB LYS 75 -26.873 33.186 -3.708 1.00 51.12 ATOM 1210 HB1 LYS 75 -26.370 33.917 -3.085 1.00 38.50 ATOM 1211 HB2 LYS 75 -26.228 32.323 -3.816 1.00 34.25 ATOM 1212 CG LYS 75 -28.142 32.729 -3.011 1.00 34.42 ATOM 1213 HG1 LYS 75 -28.452 31.781 -3.430 1.00 38.50 ATOM 1214 HG2 LYS 75 -28.921 33.464 -3.179 1.00 43.02 ATOM 1215 CD LYS 75 -27.937 32.591 -1.512 1.00 5.44 ATOM 1216 HD1 LYS 75 -28.881 32.779 -1.021 1.00 38.50 ATOM 1217 HD2 LYS 75 -27.207 33.312 -1.165 1.00 72.51 ATOM 1218 CE LYS 75 -27.467 31.193 -1.139 1.00 52.32 ATOM 1219 HE1 LYS 75 -26.412 31.113 -1.354 1.00 38.50 ATOM 1220 HE2 LYS 75 -28.010 30.460 -1.723 1.00 62.14 ATOM 1221 NZ LYS 75 -27.688 30.900 0.304 1.00 54.10 ATOM 1222 HZ1 LYS 75 -27.357 29.939 0.525 1.00 53.31 ATOM 1223 HZ2 LYS 75 -28.701 30.965 0.536 1.00 61.23 ATOM 1224 HZ3 LYS 75 -27.163 31.578 0.896 1.00 72.23 ATOM 1225 C LYS 75 -27.566 35.241 -4.955 1.00 65.14 ATOM 1226 O LYS 75 -28.753 35.522 -4.792 1.00 2.20 ATOM 1227 N VAL 76 -26.607 36.160 -5.024 1.00 34.24 ATOM 1228 HN VAL 76 -25.673 35.889 -5.112 1.00 38.50 ATOM 1229 CA VAL 76 -26.903 37.583 -4.909 1.00 74.20 ATOM 1230 HA VAL 76 -27.755 37.706 -4.246 1.00 31.52 ATOM 1231 CB VAL 76 -25.715 38.357 -4.307 1.00 34.50 ATOM 1232 HB VAL 76 -24.901 38.359 -5.022 1.00 13.20 ATOM 1233 CG1 VAL 76 -26.105 39.800 -4.027 1.00 43.13 ATOM 1234 HG11 VAL 76 -25.277 40.315 -3.558 1.00 40.25 ATOM 1235 HG12 VAL 76 -26.959 39.825 -3.366 1.00 52.21 ATOM 1236 HG13 VAL 76 -26.351 40.301 -4.951 1.00 43.04 ATOM 1237 CG2 VAL 76 -25.223 37.674 -3.040 1.00 65.42 ATOM 1238 HG21 VAL 76 -24.860 36.685 -3.273 1.00 54.35 ATOM 1239 HG22 VAL 76 -26.032 37.601 -2.327 1.00 13.11 ATOM 1240 HG23 VAL 76 -24.417 38.252 -2.606 1.00 52.22 ATOM 1241 C VAL 76 -27.251 38.183 -6.267 1.00 21.03 ATOM 1242 O VAL 76 -28.040 39.123 -6.358 1.00 5.34 ATOM 1243 N ALA 77 -26.657 37.632 -7.320 1.00 40.34 ATOM 1244 HN ALA 77 -26.005 36.910 -7.189 1.00 38.50 ATOM 1245 CA ALA 77 -26.906 38.111 -8.674 1.00 45.44 ATOM 1246 HA ALA 77 -26.561 39.112 -8.740 1.00 4.33 ATOM 1247 CB ALA 77 -26.117 37.285 -9.680 1.00 34.23 ATOM 1248 HB1 ALA 77 -25.068 37.320 -9.426 1.00 74.43 ATOM 1249 HB2 ALA 77 -26.258 37.689 -10.673 1.00 34.32 ATOM 1250 HB3 ALA 77 -26.457 36.259 -9.656 1.00 13.41 ATOM 1251 C ALA 77 -28.394 38.073 -9.006 1.00 25.02 ATOM 1252 O ALA 77 -28.871 38.830 -9.850 1.00 43.42 ATOM 1253 N ALA 78 -29.121 37.185 -8.336 1.00 55.40 ATOM 1254 HN ALA 78 -28.685 36.555 -7.719 1.00 38.50 ATOM 1255 CA ALA 78 -30.556 37.050 -8.559 1.00 25.41 ATOM 1256 HA ALA 78 -30.704 36.663 -9.557 1.00 30.40 ATOM 1257 CB ALA 78 -31.151 36.055 -7.574 1.00 22.43 ATOM 1258 HB1 ALA 78 -31.031 36.425 -6.565 1.00 23.23 ATOM 1259 HB2 ALA 78 -30.641 35.108 -7.671 1.00 24.54 ATOM 1260 HB3 ALA 78 -32.202 35.918 -7.785 1.00 53.53 ATOM 1261 C ALA 78 -31.259 38.397 -8.443 1.00 12.41 ATOM 1262 O ALA 78 -32.284 38.629 -9.083 1.00 74.00 ATOM 1263 N GLN 79 -30.702 39.282 -7.622 1.00 31.10 ATOM 1264 HN GLN 79 -29.904 39.040 -7.101 1.00 38.50 ATOM 1265 CA GLN 79 -31.278 40.606 -7.422 1.00 14.32 ATOM 1266 HA GLN 79 -32.351 40.545 -7.572 1.00 44.05 ATOM 1267 CB GLN 79 -31.000 41.097 -6.000 1.00 34.01 ATOM 1268 HB1 GLN 79 -30.972 42.182 -5.984 1.00 38.50 ATOM 1269 HB2 GLN 79 -30.036 40.726 -5.681 1.00 0.51 ATOM 1270 CG GLN 79 -32.037 40.641 -4.985 1.00 42.25 ATOM 1271 HG1 GLN 79 -31.666 40.856 -3.993 1.00 38.50 ATOM 1272 HG2 GLN 79 -32.184 39.574 -5.086 1.00 61.45 ATOM 1273 CD GLN 79 -33.374 41.333 -5.166 1.00 24.11 ATOM 1274 OE1 GLN 79 -34.274 40.808 -5.822 1.00 63.01 ATOM 1275 NE2 GLN 79 -33.511 42.518 -4.583 1.00 3.11 ATOM 1276 HE21 GLN 79 -32.758 42.890 -4.070 1.00 15.12 ATOM 1277 HE22 GLN 79 -34.368 42.981 -4.688 1.00 21.31 ATOM 1278 C GLN 79 -30.721 41.601 -8.434 1.00 45.40 ATOM 1279 O GLN 79 -31.376 42.583 -8.780 1.00 74.21 ATOM 1280 N ASN 80 -29.505 41.341 -8.905 1.00 31.34 ATOM 1281 HN ASN 80 -29.011 40.567 -8.581 1.00 38.50 ATOM 1282 CA ASN 80 -28.858 42.214 -9.877 1.00 14.52 ATOM 1283 HA ASN 80 -29.514 43.043 -10.111 1.00 35.33 ATOM 1284 CB ASN 80 -27.559 42.779 -9.300 1.00 45.55 ATOM 1285 HB1 ASN 80 -27.795 43.396 -8.444 1.00 38.50 ATOM 1286 HB2 ASN 80 -27.068 43.389 -10.047 1.00 5.24 ATOM 1287 CG ASN 80 -26.598 41.690 -8.864 1.00 11.12 ATOM 1288 OD1 ASN 80 -25.804 41.191 -9.661 1.00 71.12 ATOM 1289 ND2 ASN 80 -26.667 41.316 -7.591 1.00 40.05 ATOM 1290 HD21 ASN 80 -27.325 41.748 -7.000 1.00 32.53 ATOM 1291 HD22 ASN 80 -26.047 40.623 -7.284 1.00 51.12 ATOM 1292 C ASN 80 -28.569 41.465 -11.174 1.00 13.11 ATOM 1293 O ASN 80 -27.442 41.470 -11.668 1.00 5.30 ATOM 1294 N TYR 81 -29.595 40.822 -11.720 1.00 52.34 ATOM 1295 HN TYR 81 -30.477 40.852 -11.279 1.00 38.50 ATOM 1296 CA TYR 81 -29.452 40.067 -12.959 1.00 65.31 ATOM 1297 HA TYR 81 -28.402 39.868 -13.136 1.00 64.42 ATOM 1298 CB TYR 81 -30.179 38.725 -12.850 1.00 44.42 ATOM 1299 HB1 TYR 81 -31.202 38.906 -12.548 1.00 38.50 ATOM 1300 HB2 TYR 81 -29.694 38.126 -12.091 1.00 51.33 ATOM 1301 CG TYR 81 -30.195 37.939 -14.141 1.00 62.24 ATOM 1302 CD1 TYR 81 -29.189 37.026 -14.434 1.00 43.23 ATOM 1303 HD1 TYR 81 -28.386 36.879 -13.725 1.00 71.22 ATOM 1304 CD2 TYR 81 -31.215 38.109 -15.069 1.00 32.22 ATOM 1305 HD2 TYR 81 -32.007 38.815 -14.860 1.00 61.02 ATOM 1306 CE1 TYR 81 -29.199 36.306 -15.613 1.00 61.31 ATOM 1307 HE1 TYR 81 -28.408 35.601 -15.822 1.00 71.41 ATOM 1308 CE2 TYR 81 -31.234 37.392 -16.249 1.00 73.43 ATOM 1309 HE2 TYR 81 -32.037 37.538 -16.956 1.00 4.45 ATOM 1310 CZ TYR 81 -30.224 36.492 -16.517 1.00 60.40 ATOM 1311 OH TYR 81 -30.239 35.776 -17.693 1.00 4.35 ATOM 1312 HH TYR 81 -30.474 34.860 -17.515 1.00 30.35 ATOM 1313 C TYR 81 -29.994 40.857 -14.146 1.00 14.44 ATOM 1314 O TYR 81 -29.473 40.766 -15.257 1.00 52.32 ATOM 1315 N ARG 82 -31.045 41.634 -13.900 1.00 62.41 ATOM 1316 HN ARG 82 -31.434 41.660 -12.997 1.00 38.50 ATOM 1317 CA ARG 82 -31.660 42.441 -14.947 1.00 61.51 ATOM 1318 HA ARG 82 -31.878 41.783 -15.783 1.00 1.14 ATOM 1319 CB ARG 82 -32.965 43.059 -14.443 1.00 74.34 ATOM 1320 HB1 ARG 82 -32.761 44.003 -13.953 1.00 38.50 ATOM 1321 HB2 ARG 82 -33.403 42.384 -13.716 1.00 5.41 ATOM 1322 CG ARG 82 -33.987 43.304 -15.542 1.00 22.00 ATOM 1323 HG1 ARG 82 -33.975 42.474 -16.238 1.00 38.50 ATOM 1324 HG2 ARG 82 -33.728 44.214 -16.062 1.00 31.22 ATOM 1325 CD ARG 82 -35.391 43.443 -14.976 1.00 12.52 ATOM 1326 HD1 ARG 82 -35.366 44.032 -14.067 1.00 38.50 ATOM 1327 HD2 ARG 82 -35.758 42.454 -14.742 1.00 72.23 ATOM 1328 NE ARG 82 -36.307 44.061 -15.931 1.00 14.33 ATOM 1329 HE ARG 82 -36.917 43.466 -16.420 1.00 12.20 ATOM 1330 CZ ARG 82 -36.353 45.368 -16.165 1.00 71.04 ATOM 1331 NH1 ARG 82 -35.539 46.190 -15.518 1.00 44.02 ATOM 1332 HH11 ARG 82 -34.878 45.855 -14.851 1.00 62.13 ATOM 1333 HH12 ARG 82 -35.585 47.175 -15.700 1.00 12.43 ATOM 1334 NH2 ARG 82 -37.215 45.855 -17.049 1.00 65.25 ATOM 1335 HH21 ARG 82 -37.833 45.239 -17.542 1.00 41.14 ATOM 1336 HH22 ARG 82 -37.252 46.841 -17.227 1.00 53.13 ATOM 1337 C ARG 82 -30.711 43.540 -15.414 1.00 42.22 ATOM 1338 O ARG 82 -29.965 44.111 -14.618 1.00 44.04 ATOM 1339 N LYS 83 -30.744 43.832 -16.710 1.00 11.41 ATOM 1340 HN LYS 83 -31.355 43.331 -17.302 1.00 38.50 ATOM 1341 CA LYS 83 -29.888 44.864 -17.284 1.00 74.35 ATOM 1342 HA LYS 83 -29.903 45.721 -16.617 1.00 63.04 ATOM 1343 CB LYS 83 -28.450 44.354 -17.404 1.00 13.15 ATOM 1344 HB1 LYS 83 -28.412 43.590 -18.173 1.00 38.50 ATOM 1345 HB2 LYS 83 -28.164 43.910 -16.460 1.00 41.32 ATOM 1346 CG LYS 83 -27.444 45.444 -17.731 1.00 71.32 ATOM 1347 HG1 LYS 83 -27.082 45.866 -16.805 1.00 38.50 ATOM 1348 HG2 LYS 83 -27.917 46.221 -18.318 1.00 43.44 ATOM 1349 CD LYS 83 -26.262 44.895 -18.512 1.00 70.42 ATOM 1350 HD1 LYS 83 -26.625 44.376 -19.390 1.00 38.50 ATOM 1351 HD2 LYS 83 -25.717 44.206 -17.885 1.00 52.23 ATOM 1352 CE LYS 83 -25.322 46.005 -18.955 1.00 0.31 ATOM 1353 HE1 LYS 83 -25.889 46.772 -19.466 1.00 38.50 ATOM 1354 HE2 LYS 83 -24.595 45.588 -19.635 1.00 13.31 ATOM 1355 NZ LYS 83 -24.604 46.616 -17.802 1.00 43.33 ATOM 1356 HZ1 LYS 83 -24.067 45.890 -17.282 1.00 70.23 ATOM 1357 HZ2 LYS 83 -25.279 47.066 -17.151 1.00 34.35 ATOM 1358 HZ3 LYS 83 -23.939 47.340 -18.143 1.00 1.35 ATOM 1359 C LYS 83 -30.401 45.295 -18.655 1.00 32.12 ATOM 1360 O LYS 83 -30.753 44.459 -19.487 1.00 55.13 ATOM 1361 N ARG 84 -30.439 46.604 -18.883 1.00 22.35 ATOM 1362 HN ARG 84 -30.133 47.226 -18.180 1.00 38.50 ATOM 1363 CA ARG 84 -30.908 47.145 -20.152 1.00 52.12 ATOM 1364 HA ARG 84 -31.839 46.654 -20.410 1.00 22.13 ATOM 1365 CB ARG 84 -31.167 48.647 -20.026 1.00 14.42 ATOM 1366 HB1 ARG 84 -31.753 48.824 -19.134 1.00 38.50 ATOM 1367 HB2 ARG 84 -31.733 48.972 -20.888 1.00 50.34 ATOM 1368 CG ARG 84 -29.898 49.480 -19.943 1.00 32.42 ATOM 1369 HG1 ARG 84 -29.323 49.355 -20.848 1.00 38.50 ATOM 1370 HG2 ARG 84 -29.315 49.152 -19.097 1.00 71.53 ATOM 1371 CD ARG 84 -30.212 50.959 -19.778 1.00 25.51 ATOM 1372 HD1 ARG 84 -29.291 51.502 -19.623 1.00 38.50 ATOM 1373 HD2 ARG 84 -30.838 51.081 -18.903 1.00 63.12 ATOM 1374 NE ARG 84 -30.920 51.500 -20.934 1.00 50.24 ATOM 1375 HE ARG 84 -31.896 51.592 -20.862 1.00 22.13 ATOM 1376 CZ ARG 84 -30.317 51.868 -22.059 1.00 51.24 ATOM 1377 NH1 ARG 84 -29.002 51.753 -22.179 1.00 3.02 ATOM 1378 HH11 ARG 84 -28.438 51.390 -21.442 1.00 22.43 ATOM 1379 HH12 ARG 84 -28.558 52.037 -23.032 1.00 73.25 ATOM 1380 NH2 ARG 84 -31.030 52.352 -23.068 1.00 54.31 ATOM 1381 HH21 ARG 84 -32.025 52.441 -22.985 1.00 13.42 ATOM 1382 HH22 ARG 84 -30.577 52.631 -23.918 1.00 41.21 ATOM 1383 C ARG 84 -29.894 46.885 -21.262 1.00 71.33 ATOM 1384 O ARG 84 -28.758 46.490 -21.000 1.00 61.43 ATOM 1385 N LYS 85 -30.313 47.108 -22.503 1.00 41.33 ATOM 1386 HN LYS 85 -31.239 47.412 -22.657 1.00 38.50 ATOM 1387 CA LYS 85 -29.443 46.899 -23.654 1.00 44.14 ATOM 1388 HA LYS 85 -28.415 46.831 -23.318 1.00 72.35 ATOM 1389 CB LYS 85 -29.808 45.594 -24.366 1.00 12.43 ATOM 1390 HB1 LYS 85 -29.625 44.771 -23.691 1.00 38.50 ATOM 1391 HB2 LYS 85 -29.172 45.478 -25.236 1.00 5.35 ATOM 1392 CG LYS 85 -31.260 45.529 -24.807 1.00 60.53 ATOM 1393 HG1 LYS 85 -31.502 46.426 -25.363 1.00 38.50 ATOM 1394 HG2 LYS 85 -31.887 45.471 -23.929 1.00 10.34 ATOM 1395 CD LYS 85 -31.524 44.311 -25.677 1.00 23.43 ATOM 1396 HD1 LYS 85 -31.786 43.479 -25.041 1.00 38.50 ATOM 1397 HD2 LYS 85 -30.636 44.065 -26.246 1.00 62.40 ATOM 1398 CE LYS 85 -32.663 44.559 -26.653 1.00 40.03 ATOM 1399 HE1 LYS 85 -32.723 43.721 -27.331 1.00 38.50 ATOM 1400 HE2 LYS 85 -32.460 45.460 -27.217 1.00 22.35 ATOM 1401 NZ LYS 85 -33.970 44.706 -25.955 1.00 0.41 ATOM 1402 HZ1 LYS 85 -33.954 45.534 -25.324 1.00 4.42 ATOM 1403 HZ2 LYS 85 -34.178 43.857 -25.390 1.00 1.50 ATOM 1404 HZ3 LYS 85 -34.731 44.834 -26.653 1.00 74.42 ATOM 1405 C LYS 85 -29.541 48.067 -24.630 1.00 41.32 ATOM 1406 O LYS 85 -30.482 48.860 -24.573 1.00 73.32 ATOM 1407 N LEU 86 -28.565 48.168 -25.526 1.00 22.14 ATOM 1408 HN LEU 86 -27.825 47.517 -25.501 1.00 38.50 ATOM 1409 CA LEU 86 -28.542 49.239 -26.516 1.00 33.02 ATOM 1410 HA LEU 86 -28.479 50.181 -25.990 1.00 45.25 ATOM 1411 CB LEU 86 -27.318 49.097 -27.422 1.00 2.14 ATOM 1412 HB1 LEU 86 -26.470 48.813 -26.810 1.00 38.50 ATOM 1413 HB2 LEU 86 -27.115 50.073 -27.845 1.00 72.44 ATOM 1414 CG LEU 86 -27.445 48.096 -28.570 1.00 61.41 ATOM 1415 HG LEU 86 -28.292 48.349 -29.187 1.00 33.33 ATOM 1416 CD1 LEU 86 -26.214 48.147 -29.462 1.00 53.20 ATOM 1417 HD11 LEU 86 -26.095 49.146 -29.859 1.00 24.40 ATOM 1418 HD12 LEU 86 -26.330 47.451 -30.281 1.00 11.22 ATOM 1419 HD13 LEU 86 -25.336 47.883 -28.889 1.00 45.31 ATOM 1420 CD2 LEU 86 -27.656 46.689 -28.030 1.00 22.31 ATOM 1421 HD21 LEU 86 -27.668 45.982 -28.849 1.00 70.21 ATOM 1422 HD22 LEU 86 -28.601 46.639 -27.512 1.00 4.33 ATOM 1423 HD23 LEU 86 -26.856 46.433 -27.349 1.00 72.43 ATOM 1424 C LEU 86 -29.815 49.230 -27.357 1.00 1.03 ATOM 1425 O LEU 86 -30.679 48.372 -27.182 1.00 13.15 ATOM 1426 N GLU 87 -29.921 50.189 -28.271 1.00 2.31 ATOM 1427 HN GLU 87 -29.199 50.852 -28.373 1.00 38.50 ATOM 1428 CA GLU 87 -31.087 50.290 -29.140 1.00 15.12 ATOM 1429 HA GLU 87 -31.826 49.565 -28.817 1.00 41.51 ATOM 1430 CB GLU 87 -31.710 51.684 -29.036 1.00 4.22 ATOM 1431 HB1 GLU 87 -31.007 52.415 -29.413 1.00 38.50 ATOM 1432 HB2 GLU 87 -31.907 51.899 -27.995 1.00 53.52 ATOM 1433 CG GLU 87 -33.009 51.830 -29.810 1.00 43.31 ATOM 1434 HG1 GLU 87 -32.841 51.578 -30.846 1.00 38.50 ATOM 1435 HG2 GLU 87 -33.331 52.859 -29.744 1.00 73.30 ATOM 1436 CD GLU 87 -34.116 50.950 -29.264 1.00 23.42 ATOM 1437 OE1 GLU 87 -34.495 49.979 -29.952 1.00 52.24 ATOM 1438 OE2 GLU 87 -34.602 51.230 -28.149 1.00 13.33 ATOM 1439 C GLU 87 -30.713 49.995 -30.589 1.00 54.05 ATOM 1440 O GLU 87 -29.936 50.726 -31.204 1.00 51.40 ATOM 1441 N THR 88 -31.272 48.917 -31.131 1.00 61.10 ATOM 1442 HN THR 88 -31.878 48.357 -30.589 1.00 38.50 ATOM 1443 CA THR 88 -30.997 48.523 -32.507 1.00 23.11 ATOM 1444 HA THR 88 -30.760 49.412 -33.084 1.00 41.40 ATOM 1445 CB THR 88 -29.789 47.570 -32.588 1.00 0.34 ATOM 1446 HB THR 88 -28.917 48.087 -32.213 1.00 54.33 ATOM 1447 OG1 THR 88 -29.558 47.186 -33.948 1.00 11.15 ATOM 1448 HG1 THR 88 -28.637 46.935 -34.061 1.00 52.20 ATOM 1449 CG2 THR 88 -30.020 46.330 -31.737 1.00 50.32 ATOM 1450 HG21 THR 88 -29.129 45.720 -31.752 1.00 44.33 ATOM 1451 HG22 THR 88 -30.845 45.759 -32.134 1.00 14.13 ATOM 1452 HG23 THR 88 -30.236 46.616 -30.717 1.00 75.44 ATOM 1453 C THR 88 -32.208 47.844 -33.137 1.00 44.52 ATOM 1454 O THR 88 -32.920 47.088 -32.477 1.00 73.10 ATOM 1455 N ILE 89 -32.434 48.119 -34.417 1.00 51.33 ATOM 1456 HN ILE 89 -31.808 48.705 -34.896 1.00 38.50 ATOM 1457 CA ILE 89 -33.558 47.533 -35.137 1.00 13.34 ATOM 1458 HA ILE 89 -34.297 47.187 -34.417 1.00 64.52 ATOM 1459 CB ILE 89 -34.241 48.566 -36.052 1.00 41.43 ATOM 1460 HB ILE 89 -34.998 48.059 -36.639 1.00 4.15 ATOM 1461 CG1 ILE 89 -33.215 49.206 -36.990 1.00 3.23 ATOM 1462 HG11 ILE 89 -32.552 48.458 -37.393 1.00 38.50 ATOM 1463 HG12 ILE 89 -32.628 49.933 -36.448 1.00 31.32 ATOM 1464 CG2 ILE 89 -34.942 49.630 -35.221 1.00 0.04 ATOM 1465 HG21 ILE 89 -34.217 50.155 -34.614 1.00 72.33 ATOM 1466 HG22 ILE 89 -35.676 49.163 -34.579 1.00 33.34 ATOM 1467 HG23 ILE 89 -35.439 50.332 -35.875 1.00 43.54 ATOM 1468 CD1 ILE 89 -33.836 49.918 -38.171 1.00 14.45 ATOM 1469 HD11 ILE 89 -34.431 49.220 -38.741 1.00 74.40 ATOM 1470 HD12 ILE 89 -33.055 50.321 -38.799 1.00 11.43 ATOM 1471 HD13 ILE 89 -34.464 50.722 -37.818 1.00 64.22 ATOM 1472 C ILE 89 -33.112 46.342 -35.977 1.00 72.22 ATOM 1473 O ILE 89 -32.005 46.328 -36.516 1.00 32.34 ATOM 1474 N VAL 90 -33.983 45.343 -36.087 1.00 45.01 ATOM 1475 HN VAL 90 -34.847 45.410 -35.619 1.00 38.50 ATOM 1476 CA VAL 90 -33.680 44.147 -36.865 1.00 10.51 ATOM 1477 HA VAL 90 -32.713 43.774 -36.540 1.00 75.25 ATOM 1478 CB VAL 90 -34.726 43.043 -36.626 1.00 31.44 ATOM 1479 HB VAL 90 -34.782 42.852 -35.564 1.00 42.50 ATOM 1480 CG1 VAL 90 -36.099 43.495 -37.100 1.00 63.23 ATOM 1481 HG11 VAL 90 -36.832 42.754 -36.814 1.00 4.02 ATOM 1482 HG12 VAL 90 -36.109 43.602 -38.175 1.00 75.13 ATOM 1483 HG13 VAL 90 -36.359 44.438 -36.645 1.00 1.43 ATOM 1484 CG2 VAL 90 -34.310 41.756 -37.321 1.00 63.53 ATOM 1485 HG21 VAL 90 -33.308 41.483 -37.017 1.00 12.33 ATOM 1486 HG22 VAL 90 -34.338 41.883 -38.394 1.00 64.04 ATOM 1487 HG23 VAL 90 -34.991 40.965 -37.041 1.00 23.54 ATOM 1488 C VAL 90 -33.621 44.462 -38.355 1.00 41.05 ATOM 1489 O VAL 90 -34.386 45.286 -38.856 1.00 45.11 ATOM 1490 N GLN 91 -32.708 43.799 -39.059 1.00 12.43 ATOM 1491 HN GLN 91 -32.120 43.149 -38.612 1.00 38.50 ATOM 1492 HA GLN 91 -31.666 43.473 -40.810 1.00 42.10 ATOM 1493 CB GLN 91 -33.768 43.472 -41.246 1.00 41.21 ATOM 1494 HB1 GLN 91 -33.839 43.957 -42.214 1.00 38.50 ATOM 1495 HB2 GLN 91 -34.665 43.696 -40.689 1.00 73.52 ATOM 1496 CG GLN 91 -33.727 41.970 -41.478 1.00 0.34 ATOM 1497 HG1 GLN 91 -34.713 41.641 -41.772 1.00 38.50 ATOM 1498 HG2 GLN 91 -33.446 41.474 -40.559 1.00 63.34 ATOM 1499 CD GLN 91 -32.745 41.574 -42.563 1.00 33.35 ATOM 1500 OE1 GLN 91 -32.115 42.427 -43.188 1.00 20.03 ATOM 1501 NE2 GLN 91 -32.610 40.273 -42.792 1.00 70.21 ATOM 1502 HE21 GLN 91 -33.140 39.635 -42.261 1.00 23.50 ATOM 1503 HE22 GLN 91 -31.980 39.996 -43.490 1.00 51.32 ATOM 1504 CA GLN 91 -32.550 44.009 -40.493 1.00 25.01 ATOM 1505 C GLN 91 -32.353 45.488 -40.809 1.00 1.15 ATOM 1506 OT1 GLN 91 -31.191 45.940 -40.731 1.00 38.50 ATOM 1507 OT2 GLN 91 -33.337 46.200 -41.136 1.00 38.50 ATOM 1508 OH2 TIP3 1 -29.698 12.741 4.479 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -28.955 13.327 4.339 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -30.393 13.309 4.812 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -33.171 32.830 -40.832 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -33.353 33.746 -41.043 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -32.995 32.420 -41.679 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -29.471 29.114 -18.826 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -29.520 28.159 -18.863 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -30.297 29.382 -18.424 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -33.746 30.740 -20.039 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -34.348 30.185 -20.534 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -33.465 31.407 -20.665 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -29.760 31.644 -23.843 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -29.782 31.829 -22.904 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -29.070 32.213 -24.184 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -30.197 31.211 -20.921 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -30.684 30.476 -21.292 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -29.648 30.818 -20.243 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -36.027 32.322 -19.266 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -35.350 31.690 -19.506 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -35.705 32.724 -18.458 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -33.171 32.830 -21.976 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -33.353 33.746 -22.187 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -32.995 32.420 -22.823 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -31.824 30.265 -18.113 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -32.606 30.079 -18.633 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -31.896 31.194 -17.896 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -36.524 31.450 -7.294 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -35.904 30.773 -7.567 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -36.732 31.232 -6.386 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -30.289 17.440 -4.541 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -30.240 18.050 -3.805 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -29.863 17.901 -5.264 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -29.897 18.918 -2.305 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -30.586 19.576 -2.400 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -29.882 18.721 -1.368 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -33.123 28.185 -5.158 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -34.065 28.243 -4.997 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -32.847 29.091 -5.295 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -34.871 29.966 -8.533 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -34.446 29.259 -9.018 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -34.554 30.767 -8.950 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -32.026 26.433 -1.547 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -31.886 25.842 -2.286 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -31.858 27.306 -1.903 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -30.184 22.773 -3.481 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -30.836 23.468 -3.392 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -29.719 22.983 -4.291 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -34.250 21.779 -1.755 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -34.170 22.542 -1.183 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -34.851 22.058 -2.446 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -30.388 28.883 -14.948 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -30.315 29.822 -14.778 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -29.483 28.578 -15.005 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -34.976 31.614 -14.285 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -34.601 30.870 -14.756 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -34.972 31.344 -13.367 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -35.307 31.540 -11.536 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -36.242 31.640 -11.357 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -35.027 30.831 -10.958 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -32.319 20.607 0.510 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -32.726 21.088 -0.210 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -32.278 19.702 0.203 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -34.562 18.939 -1.269 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -35.076 18.813 -0.472 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -34.717 19.851 -1.514 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -32.189 32.982 1.137 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -31.989 33.406 0.302 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -31.533 33.325 1.744 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -32.241 24.597 -3.632 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -31.599 25.054 -4.175 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -33.071 24.710 -4.094 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -31.594 29.141 -12.399 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -31.967 28.315 -12.089 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -31.317 28.958 -13.296 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -33.746 30.740 -1.183 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -34.348 30.185 -1.678 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -33.465 31.407 -1.809 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -29.698 31.597 -14.377 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -28.955 32.183 -14.517 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -30.393 32.165 -14.044 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -32.165 17.987 -0.934 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -33.081 18.250 -1.022 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -31.829 17.984 -1.831 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -32.476 30.994 -5.216 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -32.632 31.672 -5.873 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -31.544 31.066 -5.013 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -33.469 29.909 -15.759 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -33.186 29.115 -15.306 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -32.729 30.142 -16.320 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -34.465 25.361 -1.218 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -33.720 25.949 -1.338 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -35.222 25.943 -1.155 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -37.056 24.155 2.038 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -36.103 24.239 2.010 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -37.216 23.444 2.657 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -35.326 20.663 2.603 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -35.134 19.732 2.492 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -34.469 21.088 2.593 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -34.010 23.452 0.681 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -34.291 24.161 0.103 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -33.067 23.379 0.530 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -30.292 26.096 -5.141 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -29.458 25.718 -5.422 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -30.180 27.039 -5.260 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -31.805 28.974 -2.834 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -32.453 29.299 -2.209 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -32.323 28.534 -3.509 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -31.913 20.733 -2.852 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -32.756 21.001 -2.486 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -31.470 21.555 -3.063 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -29.630 14.713 2.502 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -29.280 14.059 1.896 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -29.483 15.550 2.062 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -30.110 16.822 0.851 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -31.027 17.093 0.815 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -29.987 16.287 0.067 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -33.022 31.734 -9.415 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -32.369 31.387 -10.023 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -32.511 32.223 -8.769 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -35.776 31.260 -3.415 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -36.680 31.425 -3.681 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -35.347 32.113 -3.481 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -33.171 32.830 -3.120 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -33.353 33.746 -3.331 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -32.995 32.420 -3.967 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -31.042 31.514 -11.407 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -31.236 30.766 -11.972 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -31.081 32.272 -11.991 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -31.824 30.265 0.743 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -32.606 30.079 0.223 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -31.896 31.194 0.960 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -37.499 21.853 4.120 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -36.798 21.875 4.771 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -37.197 21.225 3.464 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -30.184 22.773 15.375 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -30.836 23.468 15.464 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -29.719 22.983 14.565 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -34.147 23.605 8.033 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -34.879 23.833 8.606 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -33.700 22.891 8.488 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -35.276 22.767 5.718 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -34.697 22.917 6.465 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -34.862 23.238 4.995 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -31.578 14.517 5.531 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -32.477 14.656 5.826 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -31.326 15.348 5.129 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -30.388 28.883 3.908 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -30.315 29.822 4.078 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -29.483 28.578 3.851 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -33.799 23.800 3.348 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -33.757 23.577 2.418 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -32.950 24.198 3.538 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -35.493 18.278 4.637 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -36.431 18.390 4.486 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -35.196 19.135 4.943 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -34.775 20.145 6.298 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -33.883 20.008 6.617 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -34.718 20.936 5.761 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -29.926 26.155 18.829 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -30.778 26.393 18.462 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -29.336 26.138 18.076 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -31.594 29.141 6.457 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -31.967 28.315 6.767 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -31.317 28.958 5.560 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -34.202 27.117 4.278 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -33.849 26.737 5.082 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -35.151 27.024 4.364 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -29.698 31.597 4.479 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -28.955 32.183 4.339 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -30.393 32.165 4.812 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -33.336 25.790 6.504 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -33.613 25.062 7.060 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -32.409 25.909 6.710 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -33.469 29.909 3.097 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -33.186 29.115 3.550 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -32.729 30.142 2.536 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -30.051 23.311 8.767 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -30.777 22.832 9.165 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -29.470 23.517 9.499 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -30.292 26.096 13.715 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -29.458 25.718 13.434 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -30.180 27.039 13.596 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -32.264 21.832 9.330 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -32.414 20.887 9.310 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -32.618 22.113 10.174 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -29.911 21.705 19.653 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -30.774 21.326 19.488 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -29.307 20.966 19.579 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -32.186 17.860 2.826 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -31.576 17.488 3.463 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -33.023 17.438 3.022 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -32.554 19.415 7.792 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -32.274 18.508 7.917 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -31.795 19.849 7.403 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -31.940 16.678 7.841 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -31.758 16.229 8.666 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -32.540 16.093 7.377 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -30.074 16.745 4.369 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -29.661 16.024 3.893 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -29.392 17.415 4.427 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -30.810 15.607 10.295 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -30.198 15.093 9.768 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -30.427 16.485 10.318 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -31.042 31.514 7.449 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -31.236 30.766 6.884 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -31.081 32.272 6.865 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -36.274 43.007 -46.939 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -36.185 43.951 -47.071 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -36.913 42.732 -47.597 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -37.341 42.262 -43.520 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -37.379 41.616 -42.815 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -37.664 41.796 -44.291 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -36.524 50.306 -45.006 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -35.904 49.629 -45.279 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -36.732 50.088 -44.098 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -38.952 44.695 -43.114 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -38.648 44.009 -43.708 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -38.230 44.813 -42.496 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -30.289 36.296 -42.253 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -30.240 36.906 -41.517 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -29.863 36.757 -42.976 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -34.934 37.321 -47.113 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -34.288 36.992 -46.488 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -34.424 37.839 -47.736 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -29.897 37.774 -40.017 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -30.586 38.432 -40.112 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -29.882 37.577 -39.080 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -36.477 45.608 -47.896 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -36.773 45.286 -48.747 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -36.801 46.508 -47.854 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -41.277 43.784 -41.152 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -42.017 44.382 -41.049 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -40.563 44.338 -41.468 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -33.170 36.612 -45.132 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -33.385 35.846 -44.600 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -32.514 37.084 -44.619 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -42.869 45.748 -40.365 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -42.875 46.627 -40.743 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -43.723 45.665 -39.940 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -32.823 35.327 -41.453 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -33.559 35.938 -41.491 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -32.139 35.742 -41.979 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -34.871 48.822 -46.245 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -34.446 48.115 -46.730 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -34.554 49.623 -46.662 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -33.712 46.723 -47.736 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -33.969 46.033 -48.348 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -33.641 46.280 -46.891 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -34.147 42.461 -48.535 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -34.879 42.689 -47.962 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -33.700 41.747 -48.080 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -41.255 46.259 -38.302 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -41.567 47.041 -37.846 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -41.905 46.106 -38.988 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -37.550 48.360 -47.415 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -37.076 48.655 -46.637 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -38.113 49.098 -47.648 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -38.492 47.544 -38.806 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -38.405 48.370 -38.331 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -39.356 47.214 -38.557 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -34.562 37.795 -38.981 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -35.076 37.669 -38.184 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -34.717 38.707 -39.226 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -36.927 39.920 -48.385 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -37.336 40.735 -48.677 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -36.207 39.780 -49.000 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -35.923 39.366 -45.571 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -36.118 39.971 -46.286 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -35.741 38.532 -46.006 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -35.476 36.166 -42.852 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -36.153 36.297 -42.188 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -35.962 36.011 -43.662 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -38.561 39.719 -44.229 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -37.997 39.172 -44.776 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -38.709 39.197 -43.440 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -39.935 38.107 -41.815 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -40.770 38.561 -41.705 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -39.411 38.383 -41.063 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -34.775 39.001 -50.270 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -33.883 38.864 -49.951 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -34.718 39.792 -50.807 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -40.241 41.593 -36.833 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -40.537 41.427 -37.728 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -39.310 41.373 -36.843 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -39.949 48.945 -41.065 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -39.586 49.800 -41.298 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -39.417 48.653 -40.324 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -33.336 44.646 -50.064 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -33.613 43.918 -49.508 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -32.409 44.765 -49.858 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -36.889 36.570 -40.598 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -36.191 36.644 -39.948 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -37.270 35.706 -40.443 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -38.369 38.936 -39.481 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -38.250 39.510 -38.724 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -37.714 38.248 -39.366 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -32.165 36.843 -38.646 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -33.081 37.106 -38.734 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -31.829 36.840 -39.543 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -32.476 49.850 -42.928 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -32.632 50.528 -43.585 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -31.544 49.922 -42.725 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -42.165 49.440 -35.080 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -41.397 48.981 -34.739 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -42.186 49.214 -36.010 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -40.200 44.301 -36.313 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -40.528 44.572 -37.171 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -40.048 43.360 -36.401 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -42.076 40.540 -38.952 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -42.694 41.215 -38.671 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -41.732 40.861 -39.785 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -41.736 37.895 -37.869 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -41.586 37.166 -38.472 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -41.734 38.672 -38.428 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -39.742 41.704 -40.137 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -38.991 41.548 -40.710 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -40.081 42.556 -40.413 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -39.254 38.043 -36.382 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -39.490 37.823 -35.480 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -40.037 37.836 -36.891 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -36.538 37.170 -37.306 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -37.486 37.202 -37.174 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -36.226 36.545 -36.652 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -34.904 35.804 -35.301 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -35.001 34.852 -35.307 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -35.226 36.073 -34.440 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -29.760 50.500 -42.699 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -29.782 50.685 -41.760 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -29.070 51.069 -43.040 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -30.445 44.114 -49.625 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -29.595 44.535 -49.497 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -30.440 43.374 -49.017 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -30.051 42.167 -47.801 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -30.777 41.688 -47.403 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -29.470 42.373 -47.069 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -32.264 40.688 -47.238 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -32.414 39.743 -47.258 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -32.618 40.969 -46.394 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -29.911 40.561 -36.915 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -30.774 40.182 -37.080 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -29.307 39.822 -36.989 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -32.554 38.271 -48.776 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -32.274 37.364 -48.651 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -31.795 38.705 -49.165 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -31.940 35.534 -48.727 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -31.758 35.085 -47.902 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -32.540 34.949 -49.191 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -30.110 35.678 -36.861 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -31.027 35.949 -36.897 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -29.987 35.143 -37.645 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -33.022 50.590 -47.127 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -32.369 50.243 -47.735 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -32.511 51.079 -46.481 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -38.372 49.893 -37.366 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -38.187 49.559 -36.488 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -37.525 50.202 -37.688 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -31.109 33.768 -39.042 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -31.922 34.093 -39.430 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -30.876 33.008 -39.575 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -38.103 51.238 -42.072 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -38.560 51.767 -42.726 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -37.940 51.841 -41.347 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -37.679 35.217 -44.719 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -38.354 34.588 -44.464 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -37.115 34.733 -45.322 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -32.537 33.324 -44.607 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -31.933 33.872 -45.108 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -33.406 33.644 -44.847 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -30.810 34.463 -46.273 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -30.198 33.949 -46.800 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -30.427 35.341 -46.250 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -35.216 33.808 -45.435 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -35.140 33.903 -46.384 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -35.492 32.900 -45.306 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -37.341 42.262 -24.664 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -37.379 41.616 -23.959 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -37.664 41.796 -25.435 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -38.952 44.695 -24.258 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -38.648 44.009 -24.852 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -38.230 44.813 -23.640 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -30.289 36.296 -23.397 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -30.240 36.906 -22.661 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -29.863 36.757 -24.120 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -35.811 39.089 -23.930 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -35.668 38.142 -23.910 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -35.917 39.296 -24.859 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -34.934 37.321 -28.257 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -34.288 36.992 -27.632 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -34.424 37.839 -28.880 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -40.880 41.137 -26.680 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -40.264 40.611 -26.171 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -41.466 40.497 -27.084 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -29.897 37.774 -21.161 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -30.586 38.432 -21.256 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -29.882 37.577 -20.224 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -36.477 45.608 -29.040 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -36.773 45.286 -29.891 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -36.801 46.508 -28.998 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -41.277 43.784 -22.296 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -42.017 44.382 -22.193 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -40.563 44.338 -22.612 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -33.170 36.612 -26.276 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -33.385 35.846 -25.744 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -32.514 37.084 -25.763 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -42.869 45.748 -21.509 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -42.875 46.627 -21.887 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -43.723 45.665 -21.084 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -32.823 35.327 -22.597 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -33.559 35.938 -22.635 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -32.139 35.742 -23.123 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -37.553 42.251 -30.631 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -38.265 42.786 -30.982 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -36.862 42.307 -31.291 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -37.499 40.709 -33.592 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -36.798 40.731 -32.941 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -37.197 40.081 -34.248 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -30.184 41.629 -22.337 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -30.836 42.324 -22.248 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -29.719 41.839 -23.147 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -34.250 40.635 -20.611 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -34.170 41.398 -20.039 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -34.851 40.914 -21.302 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -41.135 46.519 -25.115 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -41.230 45.941 -25.872 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -40.406 46.148 -24.619 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -35.826 47.363 -23.429 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -36.067 48.025 -22.781 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -36.024 46.529 -23.004 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -41.255 46.259 -19.446 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -41.567 47.041 -18.990 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -41.905 46.106 -20.132 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -35.276 41.623 -31.994 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -34.697 41.773 -31.247 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -34.862 42.094 -32.717 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -43.016 48.331 -18.682 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -43.008 48.195 -19.630 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -43.932 48.213 -18.430 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -34.562 37.795 -20.125 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -35.076 37.669 -19.328 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -34.717 38.707 -20.370 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -38.226 36.532 -33.694 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -38.480 36.551 -32.771 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -38.483 35.660 -33.995 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -36.927 39.920 -29.529 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -37.336 40.735 -29.821 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -36.207 39.780 -30.144 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -37.825 40.095 -18.041 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -38.388 39.391 -17.721 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -36.999 39.975 -17.574 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -35.923 39.366 -26.715 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -36.118 39.971 -27.430 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -35.741 38.532 -27.150 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -36.659 41.004 -22.044 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -36.335 40.373 -22.687 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -37.099 40.469 -21.383 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -44.591 44.312 -18.111 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -43.858 44.566 -17.550 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -45.371 44.516 -17.596 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -38.561 39.719 -25.373 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -37.997 39.172 -25.920 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -38.709 39.197 -24.584 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -39.391 44.320 -31.274 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -40.135 43.813 -31.597 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -39.525 44.369 -30.328 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -35.493 37.134 -33.075 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -36.431 37.246 -33.226 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -35.196 37.991 -32.769 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -34.775 39.001 -31.414 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -33.883 38.864 -31.095 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -34.718 39.792 -31.951 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -37.265 45.779 -32.249 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -37.560 46.605 -31.867 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -37.968 45.159 -32.053 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -40.241 41.593 -17.977 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -40.537 41.427 -18.872 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -39.310 41.373 -17.987 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -29.890 39.211 -31.720 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -30.444 38.815 -32.392 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -29.789 40.121 -31.997 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -40.464 44.796 -28.524 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -40.705 45.721 -28.482 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -41.204 44.337 -28.128 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -39.949 48.945 -22.209 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -39.586 49.800 -22.442 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -39.417 48.653 -21.468 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -41.780 49.818 -28.979 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -42.730 49.923 -28.927 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -41.429 50.638 -28.634 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -36.405 45.044 -22.508 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -36.831 44.817 -21.682 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -35.824 44.306 -22.691 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -40.111 47.085 -34.987 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -39.872 46.337 -35.535 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -40.380 46.697 -34.155 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -41.174 46.655 -32.531 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -41.027 46.135 -31.741 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -41.177 47.562 -32.225 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -36.889 36.570 -21.742 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -36.191 36.644 -21.092 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -37.270 35.706 -21.587 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -38.436 48.353 -31.782 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -39.253 48.850 -31.729 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -37.907 48.828 -32.422 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -38.369 38.936 -20.625 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -38.250 39.510 -19.868 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -37.714 38.248 -20.510 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -41.098 49.396 -31.800 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -40.937 50.196 -32.301 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -41.295 49.703 -30.915 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -33.563 40.594 -25.694 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -34.360 40.179 -26.023 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -33.118 39.903 -25.203 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -42.165 49.440 -16.224 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -41.397 48.981 -15.883 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -42.186 49.214 -17.154 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -42.514 44.675 -34.758 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -42.450 43.881 -34.227 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -41.861 44.556 -35.447 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -41.365 42.647 -32.452 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -41.824 42.163 -31.766 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -41.110 41.979 -33.088 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -42.076 40.540 -20.096 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -42.694 41.215 -19.815 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -41.732 40.861 -20.929 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -40.294 40.890 -34.189 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -40.474 40.736 -35.117 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -39.343 40.998 -34.145 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -39.742 41.704 -21.281 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -38.991 41.548 -21.854 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -40.081 42.556 -21.557 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -35.326 39.519 -16.253 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -35.134 38.588 -16.364 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -34.469 39.944 -16.263 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -39.254 38.043 -17.526 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -39.490 37.823 -16.624 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -40.037 37.836 -18.035 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -36.538 37.170 -18.450 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -37.486 37.202 -18.318 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -36.226 36.545 -17.796 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -34.904 35.804 -16.445 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -35.001 34.852 -16.451 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -35.226 36.073 -15.584 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -40.396 51.581 -33.188 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -39.463 51.739 -33.044 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -40.660 52.256 -33.813 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -30.051 42.167 -28.945 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -30.777 41.688 -28.547 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -29.470 42.373 -28.213 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -29.783 42.068 -32.554 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -30.304 42.425 -33.273 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -29.816 42.743 -31.876 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -31.434 39.308 -34.003 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -31.337 39.975 -34.683 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -31.574 38.492 -34.485 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -32.264 40.688 -28.382 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -32.414 39.743 -28.402 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -32.618 40.969 -27.538 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -32.186 36.716 -34.886 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -31.576 36.344 -34.249 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -33.023 36.294 -34.690 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -32.554 38.271 -29.920 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -32.274 37.364 -29.795 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -31.795 38.705 -30.309 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -31.942 38.852 -24.484 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -31.009 39.064 -24.518 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -32.177 38.954 -23.561 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -31.913 39.589 -21.708 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -32.756 39.857 -21.342 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -31.470 40.411 -21.919 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -42.683 48.494 -21.469 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -43.108 49.303 -21.752 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -41.778 48.579 -21.771 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -38.372 49.893 -18.510 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -38.187 49.559 -17.632 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -37.525 50.202 -18.832 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -36.027 51.178 -19.266 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -35.350 50.546 -19.506 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -35.705 51.580 -18.458 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -38.103 51.238 -23.216 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -38.560 51.767 -23.870 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -37.940 51.841 -22.491 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -35.776 50.116 -22.271 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -36.680 50.281 -22.537 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -35.347 50.969 -22.337 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -41.188 49.553 -25.008 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -40.975 48.665 -25.295 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -41.123 49.519 -24.053 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -35.000 33.048 -16.806 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -34.924 32.622 -15.952 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -34.107 33.062 -17.148 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -36.274 43.007 -9.227 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -36.185 43.951 -9.359 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -36.913 42.732 -9.885 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -38.952 44.695 -5.402 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -38.648 44.009 -5.996 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -38.230 44.813 -4.784 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -40.880 41.137 -7.824 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -40.264 40.611 -7.315 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -41.466 40.497 -8.228 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -36.477 45.608 -10.184 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -36.773 45.286 -11.035 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -36.801 46.508 -10.142 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -41.277 43.784 -3.440 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -42.017 44.382 -3.337 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -40.563 44.338 -3.756 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -33.123 47.041 -5.158 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -34.065 47.099 -4.997 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -32.847 47.947 -5.295 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -32.823 35.327 -3.741 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -33.559 35.938 -3.779 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -32.139 35.742 -4.267 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -34.871 48.822 -8.533 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -34.446 48.115 -9.018 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -34.554 49.623 -8.950 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -33.712 46.723 -10.024 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -33.969 46.033 -10.636 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -33.641 46.280 -9.179 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -32.026 45.289 -1.547 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -31.886 44.698 -2.286 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -31.858 46.162 -1.903 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -37.553 42.251 -11.775 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -38.265 42.786 -12.126 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -36.862 42.307 -12.435 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -42.135 41.860 -5.307 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -41.570 41.981 -6.070 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -41.816 42.497 -4.668 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -35.826 47.363 -4.573 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -36.067 48.025 -3.925 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -36.024 46.529 -4.148 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -37.550 48.360 -9.703 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -37.076 48.655 -8.925 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -38.113 49.098 -9.936 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -31.578 33.373 -13.325 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -32.477 33.512 -13.030 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -31.326 34.204 -13.727 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -38.492 47.544 -1.094 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -38.405 48.370 -0.619 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -39.356 47.214 -0.845 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -38.078 51.316 -11.288 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -38.153 51.195 -12.234 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -38.045 52.266 -11.169 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -34.976 50.470 -14.285 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -34.601 49.726 -14.756 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -34.972 50.200 -13.367 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -35.307 50.396 -11.536 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -36.242 50.496 -11.357 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -35.027 49.687 -10.958 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -32.319 39.463 0.510 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -32.726 39.944 -0.210 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -32.278 38.558 0.203 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -34.562 37.795 -1.269 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -35.076 37.669 -0.472 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -34.717 38.707 -1.514 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -38.226 36.532 -14.838 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -38.480 36.551 -13.915 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -38.483 35.660 -15.139 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -36.927 39.920 -10.673 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -37.336 40.735 -10.965 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -36.207 39.780 -11.288 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -37.825 40.095 0.815 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -38.388 39.391 1.135 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -36.999 39.975 1.282 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -39.881 36.931 -8.404 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -40.792 36.988 -8.115 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -39.376 36.871 -7.593 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -35.476 36.166 -5.140 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -36.153 36.297 -4.476 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -35.962 36.011 -5.950 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -42.726 39.755 -14.354 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -43.268 39.375 -15.045 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -41.892 39.949 -14.783 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -38.561 39.719 -6.517 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -37.997 39.172 -7.064 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -38.709 39.197 -5.728 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -39.935 38.107 -4.103 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -40.770 38.561 -3.993 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -39.411 38.383 -3.351 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -39.391 44.320 -12.418 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -40.135 43.813 -12.741 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -39.525 44.369 -11.472 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -35.493 37.134 -14.219 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -36.431 37.246 -14.370 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -35.196 37.991 -13.913 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -37.871 44.504 -1.181 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -38.217 44.123 -0.375 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -38.071 45.438 -1.110 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -34.775 39.001 -12.558 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -33.883 38.864 -12.239 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -34.718 39.792 -13.095 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -35.621 46.966 -1.231 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -36.522 47.149 -1.499 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -35.587 47.225 -0.310 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -29.926 45.011 -0.027 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -30.778 45.249 -0.394 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -29.336 44.994 -0.780 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -31.594 47.997 -12.399 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -31.967 47.171 -12.089 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -31.317 47.814 -13.296 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -40.464 44.796 -9.668 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -40.705 45.721 -9.626 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -41.204 44.337 -9.272 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -33.746 49.596 -1.183 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -34.348 49.041 -1.678 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -33.465 50.263 -1.809 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -29.698 50.453 -14.377 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -28.955 51.039 -14.517 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -30.393 51.021 -14.044 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -41.174 46.655 -13.675 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -41.027 46.135 -12.885 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -41.177 47.562 -13.369 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -36.889 36.570 -2.886 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -36.191 36.644 -2.236 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -37.270 35.706 -2.731 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -36.105 36.222 -11.789 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -35.885 36.694 -12.592 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -35.547 36.617 -11.118 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -38.436 48.353 -12.926 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -39.253 48.850 -12.873 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -37.907 48.828 -13.566 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -38.905 37.950 -10.954 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -38.093 38.454 -10.908 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -39.150 37.805 -10.040 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -38.369 38.936 -1.769 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -38.250 39.510 -1.012 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -37.714 38.248 -1.654 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -38.021 35.031 -10.016 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -38.368 35.649 -9.371 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -37.363 35.532 -10.497 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -41.098 49.396 -12.944 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -40.937 50.196 -13.445 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -41.295 49.703 -12.059 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -32.165 36.843 -0.934 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -33.081 37.106 -1.022 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -31.829 36.840 -1.831 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -44.105 46.522 -14.268 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -43.513 47.221 -13.992 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -43.646 46.089 -14.987 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -32.476 49.850 -5.216 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -32.632 50.528 -5.873 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -31.544 49.922 -5.013 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -42.514 44.675 -15.902 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -42.450 43.881 -15.371 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -41.861 44.556 -16.591 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -41.365 42.647 -13.596 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -41.824 42.163 -12.910 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -41.110 41.979 -14.232 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -40.294 40.890 -15.333 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -40.474 40.736 -16.261 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -39.343 40.998 -15.289 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -37.056 43.011 2.038 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -36.103 43.095 2.010 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -37.216 42.300 2.657 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -39.742 41.704 -2.425 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -38.991 41.548 -2.998 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -40.081 42.556 -2.701 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -35.326 39.519 2.603 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -35.134 38.588 2.492 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -34.469 39.944 2.593 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -34.010 42.308 0.681 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -34.291 43.017 0.103 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -33.067 42.235 0.530 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -36.538 37.170 0.406 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -37.486 37.202 0.538 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -36.226 36.545 1.060 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -40.396 51.581 -14.332 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -39.463 51.739 -14.188 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -40.660 52.256 -14.957 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -30.292 44.952 -5.141 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -29.458 44.574 -5.422 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -30.180 45.895 -5.260 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -31.805 47.830 -2.834 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -32.453 48.155 -2.209 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -32.323 47.390 -3.509 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -31.408 42.658 0.113 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -30.825 41.924 0.304 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -30.844 43.430 0.159 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -29.911 40.561 0.797 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -30.774 40.182 0.632 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -29.307 39.822 0.723 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -30.110 35.678 0.851 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -31.027 35.949 0.815 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -29.987 35.143 0.067 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -33.022 50.590 -9.415 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -32.369 50.243 -10.023 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -32.511 51.079 -8.769 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -37.679 35.217 -7.007 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -38.354 34.588 -6.752 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -37.115 34.733 -7.610 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -35.216 33.808 -7.723 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -35.140 33.903 -8.672 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -35.492 32.900 -7.594 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -33.863 33.834 -12.030 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -34.566 34.448 -12.240 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -34.308 32.996 -11.899 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -37.751 50.807 -14.087 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -36.885 51.173 -14.265 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -37.998 50.367 -14.900 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -31.042 50.370 -11.407 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -31.236 49.622 -11.972 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -31.081 51.128 -11.991 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -35.000 33.048 2.050 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -34.924 32.622 2.904 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -34.107 33.062 1.708 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -31.578 33.373 5.531 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -32.477 33.512 5.826 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -31.326 34.204 5.129 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -33.799 42.656 3.348 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -33.757 42.433 2.418 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -32.950 43.054 3.538 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -32.186 36.716 2.826 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -31.576 36.344 3.463 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -33.023 36.294 3.022 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -30.074 35.601 4.369 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -29.661 34.880 3.893 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -29.392 36.271 4.427 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -30.289 55.152 -42.253 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -30.240 55.762 -41.517 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -29.863 55.613 -42.976 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -29.897 56.630 -40.017 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -30.586 57.288 -40.112 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -29.882 56.433 -39.080 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -32.823 54.183 -41.453 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -33.559 54.794 -41.491 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -32.139 54.598 -41.979 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -37.888 52.895 -39.835 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -37.468 52.480 -39.082 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -38.821 52.717 -39.718 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -34.562 56.651 -38.981 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -35.076 56.525 -38.184 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -34.717 57.563 -39.226 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -35.476 55.022 -42.852 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -36.153 55.153 -42.188 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -35.962 54.867 -43.662 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -36.889 55.426 -40.598 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -36.191 55.500 -39.948 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -37.270 54.562 -40.443 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -32.165 55.699 -38.646 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -33.081 55.962 -38.734 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -31.829 55.696 -39.543 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -40.518 52.577 -39.945 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -40.616 53.524 -40.051 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -41.261 52.205 -40.421 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -36.538 56.026 -37.306 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -37.486 56.058 -37.174 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -36.226 55.401 -36.652 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -34.904 54.660 -35.301 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -35.001 53.708 -35.307 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -35.226 54.929 -34.440 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -40.296 51.871 -37.274 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -39.584 51.231 -37.288 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -40.397 52.138 -38.188 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -39.943 53.554 -35.220 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -40.074 53.078 -36.041 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -40.542 54.298 -35.276 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -29.630 52.425 -35.210 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -29.280 51.771 -35.816 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -29.483 53.262 -35.650 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -30.110 54.534 -36.861 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -31.027 54.805 -36.897 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -29.987 53.999 -37.645 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -32.537 52.180 -44.607 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -31.933 52.728 -45.108 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -33.406 52.500 -44.847 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -35.216 52.664 -45.435 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -35.140 52.759 -46.384 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -35.492 51.756 -45.306 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -35.811 57.945 -23.930 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -35.668 56.998 -23.910 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -35.917 58.152 -24.859 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -34.934 56.177 -28.257 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -34.288 55.848 -27.632 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -34.424 56.695 -28.880 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -29.897 56.630 -21.161 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -30.586 57.288 -21.256 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -29.882 56.433 -20.224 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -33.170 55.468 -26.276 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -33.385 54.702 -25.744 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -32.514 55.940 -25.763 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -39.820 52.270 -25.131 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -39.937 51.321 -25.185 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -40.675 52.602 -24.858 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -32.319 58.319 -18.346 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -32.726 58.800 -19.066 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -32.278 57.414 -18.653 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -37.888 52.895 -20.979 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -37.468 52.480 -20.226 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -38.821 52.717 -20.862 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -34.562 56.651 -20.125 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -35.076 56.525 -19.328 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -34.717 57.563 -20.370 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -38.226 55.388 -33.694 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -38.480 55.407 -32.771 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -38.483 54.516 -33.995 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -36.927 58.776 -29.529 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -37.336 59.591 -29.821 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -36.207 58.636 -30.144 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -35.923 58.222 -26.715 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -36.118 58.827 -27.430 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -35.741 57.388 -27.150 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -39.881 55.787 -27.260 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -40.792 55.844 -26.971 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -39.376 55.727 -26.449 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -35.476 55.022 -23.996 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -36.153 55.153 -23.332 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -35.962 54.867 -24.806 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -35.493 55.990 -33.075 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -36.431 56.102 -33.226 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -35.196 56.847 -32.769 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -34.775 57.857 -31.414 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -33.883 57.720 -31.095 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -34.718 58.648 -31.951 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -29.890 58.067 -31.720 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -30.444 57.671 -32.392 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -29.789 58.977 -31.997 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -36.889 55.426 -21.742 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -36.191 55.500 -21.092 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -37.270 54.562 -21.587 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -36.105 55.078 -30.645 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -35.885 55.550 -31.448 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -35.547 55.473 -29.974 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -38.905 56.806 -29.810 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -38.093 57.310 -29.764 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -39.150 56.661 -28.896 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -38.021 53.887 -28.872 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -38.368 54.505 -28.227 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -37.363 54.388 -29.353 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -32.165 55.699 -19.790 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -33.081 55.962 -19.878 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -31.829 55.696 -20.687 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -33.563 59.450 -25.694 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -34.360 59.035 -26.023 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -33.118 58.759 -25.203 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -36.538 56.026 -18.450 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -37.486 56.058 -18.318 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -36.226 55.401 -17.796 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -34.904 54.660 -16.445 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -35.001 53.708 -16.451 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -35.226 54.929 -15.584 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -40.296 51.871 -18.418 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -39.584 51.231 -18.432 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -40.397 52.138 -19.332 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -31.434 58.164 -34.003 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -31.337 58.831 -34.683 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -31.574 57.348 -34.485 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -32.264 59.544 -28.382 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -32.414 58.599 -28.402 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -32.618 59.825 -27.538 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -32.186 55.572 -34.886 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -31.576 55.200 -34.249 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -33.023 55.150 -34.690 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -32.554 57.127 -29.920 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -32.274 56.220 -29.795 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -31.795 57.561 -30.309 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -31.942 57.708 -24.484 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -31.009 57.920 -24.518 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -32.177 57.810 -23.561 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -31.913 58.445 -21.708 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -32.756 58.713 -21.342 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -31.470 59.267 -21.919 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -30.074 54.457 -33.343 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -29.661 53.736 -33.819 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -29.392 55.127 -33.285 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -37.679 54.073 -25.863 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -38.354 53.444 -25.608 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -37.115 53.589 -26.466 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -40.773 52.634 -28.228 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -39.899 53.022 -28.258 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -40.909 52.419 -27.305 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -39.629 54.714 -31.338 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -39.451 54.068 -30.655 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -39.683 55.548 -30.871 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -35.000 51.904 -16.806 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -34.924 51.478 -15.952 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -34.107 51.918 -17.148 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -31.578 52.229 -13.325 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -32.477 52.368 -13.030 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -31.326 53.060 -13.727 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -32.186 55.572 -16.030 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -31.576 55.200 -15.393 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -33.023 55.150 -15.834 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -30.074 54.457 -14.487 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -29.661 53.736 -14.963 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -29.392 55.127 -14.429 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -33.863 52.690 -12.030 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -34.566 53.304 -12.240 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -34.308 51.852 -11.899 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -13.170 -30.135 17.309 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -13.030 -30.726 16.570 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -13.002 -29.262 16.953 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -11.328 -33.795 15.375 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -11.980 -33.100 15.464 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -10.863 -33.585 14.565 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -15.394 -34.789 17.101 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -15.314 -34.026 17.673 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -15.995 -34.510 16.410 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -10.615 -27.454 18.886 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -10.664 -28.409 18.849 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -11.441 -27.186 19.288 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -13.463 -35.961 19.366 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -13.870 -35.480 18.646 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -13.422 -36.866 19.059 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -13.333 -23.586 19.993 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -13.133 -23.162 19.158 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -12.677 -23.243 20.600 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -13.385 -31.971 15.224 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -12.743 -31.514 14.681 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -14.215 -31.858 14.762 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -16.765 -28.458 17.625 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -17.666 -28.275 17.357 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -16.731 -28.199 18.546 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -14.890 -25.828 17.673 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -15.492 -26.383 17.178 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -14.609 -25.161 17.047 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -16.732 -27.604 20.217 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -17.083 -28.460 20.460 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -16.006 -27.461 20.824 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -15.609 -31.207 17.638 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -14.864 -30.619 17.518 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -16.366 -30.625 17.701 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -18.200 -32.413 20.894 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -17.247 -32.329 20.866 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -18.360 -33.124 21.513 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -16.470 -35.905 21.459 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -16.278 -36.836 21.348 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -15.613 -35.480 21.449 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -15.154 -33.116 19.537 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -15.435 -32.407 18.959 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -14.211 -33.189 19.386 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -11.341 -25.357 16.791 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -11.828 -26.092 16.420 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -10.792 -25.750 17.469 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -12.949 -27.594 16.022 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -13.597 -27.269 16.647 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -13.467 -28.034 15.347 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -11.055 -34.863 19.653 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -11.918 -35.242 19.488 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -10.451 -35.602 19.579 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -13.057 -35.835 16.004 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -13.900 -35.567 16.370 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -12.614 -35.013 15.793 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -12.968 -26.303 19.599 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -13.750 -26.489 19.079 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -13.040 -25.374 19.816 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -17.418 -32.417 28.485 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -17.329 -31.473 28.353 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -18.057 -32.692 27.827 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -14.779 -30.223 30.206 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -15.220 -30.943 30.656 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -14.792 -29.502 30.836 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -17.668 -25.118 30.418 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -17.048 -25.795 30.145 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -17.876 -25.336 31.326 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -17.621 -29.816 27.528 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -17.917 -30.138 26.677 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -17.945 -28.916 27.570 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -14.267 -28.383 32.554 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -15.209 -28.325 32.715 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -13.991 -27.477 32.417 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -16.015 -26.602 29.179 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -15.590 -27.309 28.694 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -15.698 -25.801 28.762 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -18.697 -33.173 25.937 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -19.409 -32.638 25.586 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -18.006 -33.117 25.277 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -18.643 -34.715 22.976 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -17.942 -34.693 23.627 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -18.341 -35.343 22.320 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -15.291 -32.963 26.889 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -16.023 -32.735 27.462 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -14.844 -33.677 27.344 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -16.420 -33.801 24.574 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -15.841 -33.651 25.321 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -16.006 -33.330 23.851 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -18.694 -27.064 28.009 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -18.220 -26.769 28.787 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -19.257 -26.326 27.776 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -19.222 -24.108 26.424 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -19.297 -24.229 25.478 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -19.189 -23.158 26.543 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -15.919 -36.423 25.154 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -15.027 -36.560 25.473 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -15.862 -35.632 24.617 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -18.409 -29.645 24.319 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -18.704 -28.819 24.701 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -19.112 -30.265 24.515 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -11.034 -36.213 24.848 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -11.588 -36.609 24.176 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -10.933 -35.303 24.571 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -19.580 -27.071 24.786 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -20.397 -26.574 24.839 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -19.051 -26.596 24.146 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -13.620 -25.574 32.496 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -13.776 -24.896 31.839 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -12.688 -25.502 32.699 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -19.217 -26.476 21.719 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -19.861 -27.107 22.041 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -18.455 -27.007 21.487 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -18.306 -29.702 21.546 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -18.574 -29.522 22.447 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -18.512 -30.628 21.415 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -10.904 -24.924 32.725 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -10.926 -24.739 33.664 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -10.214 -24.355 32.384 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -11.195 -33.257 27.623 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -11.921 -33.736 28.021 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -10.614 -33.051 28.355 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -11.436 -30.472 32.571 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -10.602 -30.850 32.290 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -11.324 -29.529 32.452 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -12.949 -27.594 34.878 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -13.597 -27.269 35.503 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -13.467 -28.034 34.203 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -12.578 -36.116 22.565 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -12.481 -35.449 21.885 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -12.718 -36.932 22.083 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -13.408 -34.736 28.186 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -13.558 -35.681 28.166 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -13.762 -34.455 29.030 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -13.330 -38.708 21.682 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -12.720 -39.080 22.319 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -14.167 -39.130 21.878 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -13.698 -37.153 26.648 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -13.418 -38.060 26.773 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -12.939 -36.719 26.259 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -14.315 -23.738 34.592 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -14.497 -22.822 34.381 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -14.139 -24.148 33.745 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -18.895 -24.617 23.625 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -18.029 -24.251 23.447 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -19.142 -25.057 22.812 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -11.041 -18.794 16.551 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -11.730 -18.136 16.456 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -11.026 -18.991 17.488 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -14.267 -9.527 13.698 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -15.209 -9.469 13.859 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -13.991 -8.621 13.561 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -13.170 -11.279 17.309 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -13.030 -11.870 16.570 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -13.002 -10.406 16.953 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -11.328 -14.939 15.375 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -11.980 -14.244 15.464 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -10.863 -14.729 14.565 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -15.394 -15.933 17.101 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -15.314 -15.170 17.673 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -15.995 -15.654 16.410 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -15.706 -18.773 17.587 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -16.220 -18.899 18.384 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -15.861 -17.861 17.342 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -18.969 -16.473 19.671 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -19.532 -17.177 19.991 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -18.143 -16.593 20.138 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -13.385 -13.115 15.224 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -12.743 -12.658 14.681 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -14.215 -13.002 14.762 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -16.765 -9.602 17.625 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -17.666 -9.419 17.357 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -16.731 -9.343 18.546 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -15.578 -13.763 13.479 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -16.506 -13.995 13.452 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -15.127 -14.540 13.149 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -14.890 -6.972 17.673 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -15.492 -7.527 17.178 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -14.609 -6.305 17.047 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -13.309 -19.725 17.922 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -14.225 -19.462 17.834 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -12.973 -19.728 17.025 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -13.620 -6.718 13.640 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -13.776 -6.040 12.983 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -12.688 -6.646 13.843 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -16.732 -8.748 20.217 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -17.083 -9.604 20.460 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -16.006 -8.605 20.824 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -15.609 -12.351 17.638 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -14.864 -11.763 17.518 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -16.366 -11.769 17.701 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -18.200 -13.557 20.894 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -17.247 -13.473 20.866 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -18.360 -14.268 21.513 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -16.470 -17.049 21.459 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -16.278 -17.980 21.348 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -15.613 -16.624 21.449 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -15.154 -14.260 19.537 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -15.435 -13.551 18.959 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -14.211 -14.333 19.386 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -17.682 -19.398 19.262 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -18.630 -19.366 19.394 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -17.370 -20.023 19.916 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -16.048 -20.764 21.267 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -16.145 -21.716 21.261 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -16.370 -20.495 22.128 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -10.904 -6.068 13.869 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -10.926 -5.883 14.808 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -10.214 -5.499 13.528 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -11.436 -11.616 13.715 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -10.602 -11.994 13.434 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -11.324 -10.673 13.596 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -13.086 -17.716 13.228 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -12.153 -17.504 13.194 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -13.321 -17.614 14.151 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -13.057 -16.979 16.004 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -13.900 -16.711 16.370 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -12.614 -16.157 15.793 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -11.254 -20.890 19.707 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -12.171 -20.619 19.671 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -11.131 -21.425 18.923 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -17.171 -5.390 18.446 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -16.494 -6.022 18.206 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -16.849 -4.988 19.254 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -12.253 -22.800 17.526 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -13.066 -22.475 17.138 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -12.020 -23.560 16.993 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -16.920 -6.452 15.441 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -17.824 -6.287 15.175 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -16.491 -5.599 15.375 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -14.315 -4.882 15.736 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -14.497 -3.966 15.525 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -14.139 -5.292 14.889 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -16.144 -23.520 20.906 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -16.068 -23.946 21.760 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -15.251 -23.506 20.564 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -17.418 -13.561 28.485 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -17.329 -12.617 28.353 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -18.057 -13.836 27.827 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -14.779 -11.367 30.206 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -15.220 -12.087 30.656 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -14.792 -10.646 30.836 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -11.433 -20.272 33.171 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -11.384 -19.662 33.907 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -11.007 -19.811 32.448 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -16.955 -17.479 32.638 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -16.812 -18.426 32.658 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -17.061 -17.272 31.709 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -11.041 -18.794 35.407 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -11.730 -18.136 35.312 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -11.026 -18.991 36.344 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -13.967 -21.241 33.971 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -14.703 -20.630 33.933 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -13.283 -20.826 33.445 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -14.856 -9.845 27.688 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -15.113 -10.535 27.076 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -14.785 -10.288 28.533 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -18.697 -14.317 25.937 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -19.409 -13.782 25.586 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -18.006 -14.261 25.277 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -18.643 -15.859 22.976 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -17.942 -15.837 23.627 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -18.341 -16.487 22.320 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -11.328 -14.939 34.231 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -11.980 -14.244 34.320 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -10.863 -14.729 33.421 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -15.291 -14.107 26.889 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -16.023 -13.879 27.462 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -14.844 -14.821 27.344 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -16.420 -14.945 24.574 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -15.841 -14.795 25.321 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -16.006 -14.474 23.851 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -16.120 -6.098 23.427 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -15.745 -6.842 22.956 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -16.116 -6.368 24.345 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -14.943 -13.912 22.204 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -14.901 -14.135 21.274 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -14.094 -13.514 22.394 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -18.071 -16.648 27.039 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -18.480 -15.833 26.747 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -17.351 -16.788 26.424 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -17.067 -17.202 29.853 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -17.262 -16.597 29.138 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -16.885 -18.036 29.418 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -16.620 -20.402 32.572 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -17.297 -20.271 33.236 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -17.106 -20.557 31.762 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -16.637 -19.434 23.493 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -17.575 -19.322 23.342 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -16.340 -18.577 23.799 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -15.919 -17.567 25.154 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -15.027 -17.704 25.473 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -15.862 -16.776 24.617 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -12.738 -8.571 25.313 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -13.111 -9.397 25.623 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -12.461 -8.754 24.416 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -15.578 -13.763 32.335 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -16.506 -13.995 32.308 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -15.127 -14.540 32.005 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -15.346 -10.595 23.134 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -14.993 -10.975 23.938 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -16.295 -10.688 23.220 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -14.480 -11.922 25.360 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -14.757 -12.650 25.916 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -13.553 -11.803 25.566 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -17.249 -20.346 25.923 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -17.029 -19.874 25.120 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -16.691 -19.951 26.594 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -20.049 -18.618 26.758 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -19.237 -18.114 26.804 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -20.294 -18.763 27.672 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -19.165 -21.537 27.696 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -19.512 -20.919 28.341 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -18.507 -21.036 27.215 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -14.707 -15.974 30.874 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -15.504 -16.389 30.545 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -14.262 -16.665 31.365 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -14.613 -7.803 21.953 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -14.330 -8.597 22.406 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -13.873 -7.570 21.392 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -18.306 -10.846 21.546 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -18.574 -10.666 22.447 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -18.512 -11.772 21.415 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -11.436 -11.616 32.571 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -10.602 -11.994 32.290 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -11.324 -10.673 32.452 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -13.086 -17.716 32.084 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -12.153 -17.504 32.050 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -13.321 -17.614 33.007 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -13.057 -16.979 34.860 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -13.900 -16.711 35.226 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -12.614 -16.157 34.649 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -14.166 -5.978 28.297 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -13.513 -6.325 27.689 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -13.655 -5.489 28.943 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -18.823 -21.351 30.705 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -19.498 -21.980 30.960 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -18.259 -21.835 30.102 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -13.681 -23.244 30.817 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -13.077 -22.696 30.316 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -14.550 -22.924 30.577 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -16.360 -22.760 29.989 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -16.284 -22.665 29.040 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -16.636 -23.668 30.118 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -12.186 -6.198 26.305 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -12.380 -6.946 25.740 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -12.225 -5.440 25.721 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -17.668 12.594 -7.294 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -17.048 11.917 -7.567 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -17.876 12.376 -6.386 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -13.333 14.126 1.137 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -13.133 14.550 0.302 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -12.677 14.469 1.744 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -21.093 11.233 -3.353 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -20.730 12.088 -3.586 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -20.561 10.941 -2.612 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -14.890 11.884 -1.183 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -15.492 11.329 -1.678 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -14.609 12.551 -1.809 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -27.906 12.809 1.012 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -27.366 12.592 1.771 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -28.387 12.003 0.822 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -23.309 11.728 2.632 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -22.541 11.269 2.973 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -23.330 11.502 1.702 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -10.904 12.788 -4.987 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -10.926 12.973 -4.048 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -10.214 13.357 -5.328 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -11.341 12.355 -2.065 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -11.828 11.620 -2.436 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -10.792 11.962 -1.387 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -19.516 12.181 0.346 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -19.331 11.847 1.224 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -18.669 12.490 0.024 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -17.171 13.466 -0.410 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -16.494 12.834 -0.650 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -16.849 13.868 0.398 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -23.958 13.638 -3.536 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -24.823 13.710 -3.132 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -24.013 14.185 -4.320 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -19.247 13.526 -4.360 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -19.704 14.055 -5.014 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -19.084 14.129 -3.635 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -16.920 12.404 -3.415 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -17.824 12.569 -3.681 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -16.491 13.257 -3.481 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -14.315 13.974 -3.120 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -14.497 14.890 -3.331 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -14.139 13.564 -3.967 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -22.332 11.841 -6.152 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -22.119 10.953 -6.439 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -22.267 11.807 -5.197 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -12.968 11.409 0.743 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -13.750 11.223 0.223 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -13.040 12.338 0.960 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -17.418 5.295 9.629 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -17.329 6.239 9.497 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -18.057 5.020 8.971 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -18.485 4.550 13.048 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -18.523 3.904 13.753 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -18.808 4.084 12.277 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -20.096 6.983 13.454 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -19.792 6.297 12.860 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -19.374 7.101 14.072 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -11.433 -1.416 14.315 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -11.384 -0.806 15.051 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -11.007 -0.955 13.592 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -16.955 1.377 13.782 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -16.812 0.430 13.802 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -17.061 1.584 12.853 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -16.078 -0.391 9.455 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -15.432 -0.720 10.080 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -15.568 0.127 8.832 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -22.024 3.425 11.032 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -21.408 2.899 11.541 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -22.610 2.785 10.628 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -11.041 0.062 16.551 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -11.730 0.720 16.456 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -11.026 -0.135 17.488 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -17.621 7.896 8.672 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -17.917 7.574 7.821 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -17.945 8.796 8.714 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -14.314 -1.100 11.436 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -14.529 -1.866 11.968 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -13.658 -0.628 11.949 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -13.967 -2.385 15.115 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -14.703 -1.774 15.077 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -13.283 -1.970 14.589 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -16.015 11.110 10.323 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -15.590 10.403 9.838 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -15.698 11.911 9.906 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -14.856 9.011 8.832 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -15.113 8.321 8.220 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -14.785 8.568 9.677 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -18.697 4.539 7.081 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -19.409 5.074 6.730 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -18.006 4.595 6.421 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -18.643 2.997 4.120 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -17.942 3.019 4.771 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -18.341 2.369 3.464 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -15.394 2.923 17.101 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -15.314 3.686 17.673 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -15.995 3.202 16.410 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -16.970 9.651 14.283 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -17.211 10.313 14.931 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -17.168 8.817 14.708 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -16.420 3.911 5.718 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -15.841 4.061 6.465 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -16.006 4.382 4.995 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -18.694 10.648 9.153 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -18.220 10.943 9.931 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -19.257 11.386 8.920 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -11.532 10.027 3.908 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -11.459 10.966 4.078 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -10.627 9.722 3.851 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -19.636 9.832 17.762 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -19.549 10.658 18.237 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -20.500 9.502 18.011 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -19.222 13.604 7.568 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -19.297 13.483 6.622 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -19.189 14.554 7.687 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -25.568 12.393 9.349 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -25.416 12.045 10.228 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -26.419 12.037 9.094 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -16.120 12.758 4.571 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -15.745 12.014 4.100 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -16.116 12.488 5.489 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -16.451 12.684 7.320 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -17.386 12.784 7.499 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -16.171 11.975 7.898 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -15.706 0.083 17.587 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -16.220 -0.043 18.384 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -15.861 0.995 17.342 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -14.943 4.944 3.348 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -14.901 4.721 2.418 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -14.094 5.342 3.538 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -18.071 2.208 8.183 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -18.480 3.023 7.891 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -17.351 2.068 7.568 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -17.803 3.292 15.668 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -17.479 2.661 15.025 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -18.243 2.757 16.329 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -16.620 -1.546 13.716 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -17.297 -1.415 14.380 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -17.106 -1.701 12.906 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -19.705 2.007 12.339 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -19.141 1.460 11.792 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -19.853 1.485 13.128 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -16.637 -0.578 4.637 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -17.575 -0.466 4.486 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -16.340 0.279 4.943 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -19.015 6.792 17.675 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -19.361 6.411 18.481 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -19.215 7.726 17.746 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -15.919 1.289 6.298 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -15.027 1.152 6.617 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -15.862 2.080 5.761 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -16.765 9.254 17.625 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -17.666 9.437 17.357 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -16.731 9.513 18.546 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -11.034 1.499 5.992 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -11.588 1.103 5.320 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -10.933 2.409 5.715 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -12.738 10.285 6.457 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -13.111 9.459 6.767 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -12.461 10.102 5.560 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -21.093 11.233 15.503 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -20.730 12.088 15.270 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -20.561 10.941 16.244 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -22.924 12.106 8.733 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -23.874 12.211 8.785 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -22.573 12.926 9.078 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -17.549 7.332 15.204 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -17.975 7.105 16.030 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -16.968 6.594 15.021 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -10.842 12.741 4.479 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -10.099 13.327 4.339 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -11.537 13.309 4.812 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -14.480 6.934 6.504 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -14.757 6.206 7.060 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -13.553 7.053 6.710 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -18.033 -1.142 15.970 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -17.335 -1.068 16.620 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -18.414 -2.006 16.125 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -17.249 -1.490 7.067 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -17.029 -1.018 6.264 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -16.691 -1.095 7.738 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -20.049 0.238 7.902 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -19.237 0.742 7.948 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -20.294 0.093 8.816 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -19.165 -2.681 8.840 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -19.512 -2.063 9.485 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -18.507 -2.180 8.359 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -22.242 11.684 5.912 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -22.081 12.484 5.411 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -22.439 11.991 6.797 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -13.309 -0.869 17.922 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -14.225 -0.606 17.834 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -12.973 -0.872 17.025 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -19.217 11.236 2.863 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -19.861 10.605 3.185 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -18.455 10.705 2.631 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -16.732 10.108 20.217 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -17.083 9.252 20.460 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -16.006 10.251 20.824 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -14.613 11.053 3.097 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -14.330 10.259 3.550 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -13.873 11.286 2.536 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -15.609 6.505 17.638 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -14.864 7.093 17.518 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -16.366 7.087 17.701 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -16.470 1.807 21.459 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -16.278 0.876 21.348 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -15.613 2.232 21.449 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -15.154 4.596 19.537 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -15.435 5.305 18.959 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -14.211 4.523 19.386 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -16.048 -1.908 21.267 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -16.145 -2.860 21.261 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -16.370 -1.639 22.128 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -21.540 13.869 4.524 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -20.607 14.027 4.668 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -21.804 14.544 3.899 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -29.323 13.898 9.084 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -29.970 13.436 8.551 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -28.968 13.226 9.667 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -28.453 11.979 10.889 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -28.787 11.098 11.061 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -28.231 12.324 11.753 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -12.890 8.145 21.429 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -13.756 8.040 21.823 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -12.514 8.904 21.876 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -11.589 6.402 6.943 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -10.739 6.823 7.071 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -11.584 5.662 7.551 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -10.927 4.356 5.158 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -11.448 4.713 4.439 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -10.960 5.031 5.836 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -12.578 1.596 3.709 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -12.481 2.263 3.029 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -12.718 0.780 3.227 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -13.057 1.877 16.004 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -13.900 2.145 16.370 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -12.614 2.699 15.793 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -13.084 -2.178 7.841 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -12.902 -2.627 8.666 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -13.684 -2.763 7.377 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -14.166 12.878 9.441 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -13.513 12.531 8.833 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -13.655 13.367 10.087 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -19.516 12.181 19.202 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -19.331 11.847 20.080 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -18.669 12.490 18.880 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -12.253 -3.944 17.526 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -13.066 -3.619 17.138 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -12.020 -4.704 16.993 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -23.958 13.638 15.320 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -24.823 13.710 15.724 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -24.013 14.185 14.536 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -19.247 13.526 14.496 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -19.704 14.055 13.842 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -19.084 14.129 15.221 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -27.010 12.661 13.201 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -27.029 12.236 14.058 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -26.205 12.343 12.792 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -24.869 11.371 11.856 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -25.088 10.455 12.025 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -24.045 11.511 12.322 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -22.332 11.841 12.704 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -22.119 10.953 12.417 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -22.267 11.807 13.659 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -18.823 -2.495 11.849 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -19.498 -3.124 12.104 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -18.259 -2.979 11.246 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -13.681 -4.388 11.961 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -13.077 -3.840 11.460 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -14.550 -4.068 11.721 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -11.954 -3.249 10.295 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -11.342 -3.763 9.768 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -11.571 -2.371 10.318 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -16.360 -3.904 11.133 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -16.284 -3.809 10.184 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -16.636 -4.812 11.262 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -27.759 11.885 6.372 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -28.444 11.847 5.704 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -27.756 12.798 6.660 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -18.895 13.095 4.769 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -18.029 13.461 4.591 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -19.142 12.655 3.956 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -12.186 12.658 7.449 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -12.380 11.910 6.884 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -12.225 13.416 6.865 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -25.941 12.805 3.397 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -26.209 13.092 4.270 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -25.170 12.259 3.549 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -16.144 -4.664 20.906 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -16.068 -5.090 21.760 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -15.251 -4.650 20.564 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -12.722 -4.339 24.387 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -13.621 -4.200 24.682 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -12.470 -3.508 23.985 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -11.532 10.027 22.764 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -11.459 10.966 22.934 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -10.627 9.722 22.707 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -16.120 12.758 23.427 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -15.745 12.014 22.956 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -16.116 12.488 24.345 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -14.943 4.944 22.204 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -14.901 4.721 21.274 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -14.094 5.342 22.394 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -11.034 1.499 24.848 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -11.588 1.103 24.176 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -10.933 2.409 24.571 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -12.738 10.285 25.313 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -13.111 9.459 25.623 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -12.461 10.102 24.416 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -15.346 8.261 23.134 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -14.993 7.881 23.938 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -16.295 8.168 23.220 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -10.842 12.741 23.335 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -10.099 13.327 23.195 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -11.537 13.309 23.668 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -19.217 11.236 21.719 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -19.861 10.605 22.041 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -18.455 10.705 21.487 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -14.613 11.053 21.953 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -14.330 10.259 22.406 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -13.873 11.286 21.392 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -18.306 8.010 21.546 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -18.574 8.190 22.447 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -18.512 7.084 21.415 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -12.048 5.533 21.824 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -12.321 5.108 21.011 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -12.008 6.464 21.607 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -11.589 6.402 25.799 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -10.739 6.823 25.927 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -11.584 5.662 26.407 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -11.195 4.455 27.623 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -11.921 3.976 28.021 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -10.614 4.661 28.355 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -10.927 4.356 24.014 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -11.448 4.713 23.295 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -10.960 5.031 24.692 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -12.578 1.596 22.565 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -12.481 2.263 21.885 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -12.718 0.780 22.083 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -13.330 -0.996 21.682 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -12.720 -1.368 22.319 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -14.167 -1.418 21.878 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -13.698 0.559 26.648 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -13.418 -0.348 26.773 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -12.939 0.993 26.259 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -13.084 -2.178 26.697 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -12.902 -2.627 27.522 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -13.684 -2.763 26.233 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -11.218 -2.111 23.225 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -10.805 -2.832 22.749 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -10.536 -1.441 23.283 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -11.954 -3.249 29.151 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -11.342 -3.763 28.624 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -11.571 -2.371 29.174 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -15.007 -3.878 25.682 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -15.710 -3.264 25.472 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -15.452 -4.716 25.813 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -18.895 13.095 23.625 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -18.029 13.461 23.447 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -19.142 12.655 22.812 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -22.399 27.403 -19.446 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -22.711 28.185 -18.990 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -23.049 27.250 -20.132 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -24.160 29.475 -18.682 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -24.152 29.339 -19.630 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -25.076 29.357 -18.430 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -10.615 29.114 -18.826 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -10.664 28.159 -18.863 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -11.441 29.382 -18.424 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -19.636 28.688 -19.950 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -19.549 29.514 -19.475 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -20.500 28.358 -19.701 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -13.333 32.982 -17.719 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -13.133 33.406 -18.554 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -12.677 33.325 -17.112 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -16.765 28.110 -20.087 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -17.666 28.293 -20.355 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -16.731 28.369 -19.166 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -11.070 26.155 -18.883 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -11.922 26.393 -19.250 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -10.480 26.138 -19.636 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -14.890 30.740 -20.039 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -15.492 30.185 -20.534 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -14.609 31.407 -20.665 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -27.906 31.665 -17.844 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -27.366 31.448 -17.085 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -28.387 30.859 -18.034 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -16.732 28.964 -17.495 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -17.083 28.108 -17.252 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -16.006 29.107 -16.888 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -21.344 25.445 -17.457 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -21.672 25.716 -18.315 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -21.192 24.504 -17.545 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -18.200 24.155 -16.818 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -17.247 24.239 -16.846 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -18.360 23.444 -16.199 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -12.890 27.001 -16.283 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -13.756 26.896 -15.889 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -12.514 27.760 -15.836 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -26.781 28.663 -17.728 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -27.602 28.838 -18.188 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -27.033 28.590 -16.807 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -19.516 31.037 -18.510 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -19.331 30.703 -17.632 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -18.669 31.346 -18.832 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -17.171 32.322 -19.266 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -16.494 31.690 -19.506 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -16.849 32.724 -18.458 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -26.425 32.894 -21.422 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -27.145 33.334 -21.873 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -26.791 32.643 -20.573 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -12.968 30.265 -18.113 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -13.750 30.079 -18.633 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -13.040 31.194 -17.896 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -26.117 23.021 -4.215 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -26.075 22.395 -3.491 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -25.414 23.644 -4.033 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -27.873 23.293 -8.161 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -27.659 22.523 -7.634 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -27.135 23.382 -8.764 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -11.433 17.440 -4.541 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -11.384 18.050 -3.805 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -11.007 17.901 -5.264 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -23.800 18.334 -7.802 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -23.757 19.194 -8.220 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -24.258 17.782 -8.435 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -16.078 18.465 -9.401 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -15.432 18.136 -8.776 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -15.568 18.983 -10.024 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -27.180 20.731 -7.040 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -26.526 20.181 -6.608 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -27.156 20.457 -7.956 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -24.990 17.252 -3.728 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -25.209 17.782 -4.494 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -25.658 17.479 -3.080 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -14.314 17.756 -7.420 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -14.529 16.990 -6.888 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -13.658 18.228 -6.907 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -25.396 19.144 -5.775 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -24.783 19.777 -5.402 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -24.884 18.672 -6.432 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -27.892 26.563 -11.871 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -28.164 26.792 -12.760 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -27.847 27.401 -11.411 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -13.967 16.471 -3.741 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -14.703 17.082 -3.779 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -13.283 16.886 -4.267 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -20.964 14.558 -6.275 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -21.081 13.609 -6.329 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -21.819 14.890 -6.002 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -18.697 23.395 -11.775 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -19.409 23.930 -12.126 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -18.006 23.451 -12.435 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -18.643 21.853 -14.736 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -17.942 21.875 -14.085 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -18.341 21.225 -15.392 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -16.420 22.767 -13.138 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -15.841 22.917 -12.391 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -16.006 23.238 -13.861 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -24.656 23.305 -11.351 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -24.948 24.073 -11.842 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -25.330 22.645 -11.514 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -11.532 28.883 -14.948 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -11.459 29.822 -14.778 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -10.627 28.578 -15.005 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -28.563 25.668 -2.536 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -29.064 25.640 -3.351 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -28.557 24.762 -2.226 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -28.812 28.448 -5.652 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -27.866 28.304 -5.671 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -28.925 29.232 -5.115 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -26.314 26.991 -1.493 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -26.097 26.630 -0.633 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -27.169 26.617 -1.703 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -23.695 15.461 -5.497 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -24.556 15.374 -5.905 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -23.717 16.317 -5.070 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -14.943 23.800 -15.508 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -14.901 23.577 -16.438 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -14.094 24.198 -15.318 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -23.604 20.427 -4.402 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -24.246 20.386 -3.693 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -23.567 21.353 -4.640 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -23.607 20.648 -9.490 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -24.500 20.307 -9.549 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -23.156 20.271 -10.246 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -18.071 21.064 -10.673 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -18.480 21.879 -10.965 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -17.351 20.924 -11.288 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -21.025 18.075 -8.404 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -21.936 18.132 -8.115 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -20.520 18.015 -7.593 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -26.197 19.704 -9.577 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -27.086 19.804 -9.917 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -25.901 18.862 -9.923 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -22.544 19.704 -11.921 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -21.612 19.833 -11.743 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -22.759 20.374 -12.570 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -20.535 25.464 -12.418 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -21.279 24.957 -12.741 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -20.669 25.513 -11.472 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -15.919 20.145 -12.558 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -15.027 20.008 -12.239 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -15.862 20.936 -13.095 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -25.410 24.759 -6.649 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -24.665 24.757 -7.250 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -25.332 23.935 -6.167 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -18.409 26.923 -13.393 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -18.704 27.749 -13.011 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -19.112 26.303 -13.197 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -11.034 20.355 -12.864 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -11.588 19.959 -13.536 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -10.933 21.265 -13.141 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -15.346 27.117 -14.578 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -14.993 26.737 -13.774 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -16.295 27.024 -14.492 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -10.842 31.597 -14.377 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -10.099 32.183 -14.517 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -11.537 32.165 -14.044 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -26.768 17.973 -1.776 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -27.661 18.312 -1.843 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -26.867 17.118 -1.358 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -14.480 25.790 -12.352 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -14.757 25.062 -11.796 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -13.553 25.909 -12.146 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -21.255 28.229 -16.131 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -21.016 27.481 -16.679 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -21.524 27.841 -15.299 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -22.318 27.799 -13.675 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -22.171 27.279 -12.885 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -22.321 28.706 -13.369 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -25.865 25.052 -13.165 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -26.551 25.404 -12.598 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -25.342 25.815 -13.411 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -17.249 17.366 -11.789 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -17.029 17.838 -12.592 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -16.691 17.761 -11.118 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -20.049 19.094 -10.954 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -19.237 19.598 -10.908 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -20.294 18.949 -10.040 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -19.165 16.175 -10.016 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -19.512 16.793 -9.371 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -18.507 16.676 -10.497 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -25.249 27.666 -14.268 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -24.657 28.365 -13.992 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -24.790 27.233 -14.987 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -14.613 29.909 -15.759 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -14.330 29.115 -15.306 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -13.873 30.142 -16.320 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -23.658 25.819 -15.902 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -23.594 25.025 -15.371 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -23.005 25.700 -16.591 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -18.306 26.866 -16.166 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -18.574 27.046 -15.265 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -18.512 25.940 -16.297 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -22.509 23.791 -13.596 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -22.968 23.307 -12.910 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -22.254 23.123 -14.232 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -12.048 24.389 -15.888 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -12.321 23.964 -16.701 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -12.008 25.320 -16.105 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -21.662 14.865 -2.233 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -21.760 15.812 -2.339 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -22.405 14.493 -2.709 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -26.221 18.158 1.459 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -26.010 17.451 0.848 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -26.333 17.720 2.303 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -21.440 14.159 0.438 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -20.728 13.519 0.424 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -21.541 14.426 -0.476 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -27.972 27.361 -14.849 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -27.058 27.440 -14.576 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -27.965 26.674 -15.516 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -10.927 23.212 -13.698 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -11.448 23.569 -14.417 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -10.960 23.887 -13.020 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -28.373 23.910 -5.516 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -28.189 23.828 -6.451 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -27.524 23.786 -5.092 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -13.698 19.415 -11.064 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -13.418 18.508 -10.939 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -12.939 19.849 -11.453 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -13.084 16.678 -11.015 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -12.902 16.229 -10.190 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -13.684 16.093 -11.479 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -29.250 20.492 -5.415 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -28.758 20.271 -6.205 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -28.888 21.333 -5.134 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -28.973 15.488 -3.016 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -29.638 15.242 -2.373 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -29.416 16.110 -3.593 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -12.253 14.912 -1.330 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -13.066 15.237 -1.718 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -12.020 14.152 -1.863 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -13.681 14.468 -6.895 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -13.077 15.016 -7.396 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -14.550 14.788 -7.135 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -11.954 15.607 -8.561 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -11.342 15.093 -9.088 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -11.571 16.485 -8.538 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -21.917 14.922 -9.372 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -21.043 15.310 -9.402 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -22.053 14.707 -8.449 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -16.360 14.952 -7.723 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -16.284 15.047 -8.672 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -16.636 14.044 -7.594 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -26.539 15.509 0.332 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -26.905 14.744 0.775 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -25.626 15.538 0.619 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -24.566 14.860 1.868 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -23.667 14.586 1.683 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -24.952 14.117 2.332 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -25.941 31.661 -15.459 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -26.209 31.948 -14.586 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -25.170 31.115 -15.307 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -16.144 14.192 2.050 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -16.068 13.766 2.904 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -15.251 14.206 1.708 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -14.779 26.345 11.350 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -15.220 25.625 11.800 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -14.792 27.066 11.980 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -17.668 31.450 11.562 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -17.048 30.773 11.289 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -17.876 31.232 12.470 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -24.990 17.252 15.128 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -25.209 17.782 14.362 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -25.658 17.479 15.776 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -25.396 19.144 13.081 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -24.783 19.777 13.454 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -24.884 18.672 12.424 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -14.267 28.185 13.698 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -15.209 28.243 13.859 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -13.991 29.091 13.561 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -20.964 14.558 12.581 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -21.081 13.609 12.527 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -21.819 14.890 12.854 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -14.856 27.867 8.832 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -15.113 27.177 8.220 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -14.785 27.424 9.677 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -13.170 26.433 17.309 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -13.030 25.842 16.570 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -13.002 27.306 16.953 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -22.279 27.663 12.597 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -22.374 27.085 11.840 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -21.550 27.292 13.093 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -16.970 28.507 14.283 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -17.211 29.169 14.931 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -17.168 27.673 14.708 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -22.399 27.403 18.266 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -22.711 28.185 18.722 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -23.049 27.250 17.580 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -24.160 29.475 19.030 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -24.152 29.339 18.082 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -25.076 29.357 19.282 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -12.722 14.517 5.531 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -13.621 14.656 5.826 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -12.470 15.348 5.129 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -28.563 25.668 16.320 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -29.064 25.640 15.505 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -28.557 24.762 16.630 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -28.812 28.448 13.204 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -27.866 28.304 13.185 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -28.925 29.232 13.741 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -10.615 29.114 18.886 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -10.664 28.159 18.849 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -11.441 29.382 19.288 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -19.636 28.688 17.762 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -19.549 29.514 18.237 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -20.500 28.358 18.011 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -25.568 31.249 9.349 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -25.416 30.901 10.228 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -26.419 30.893 9.094 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -26.314 26.991 17.363 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -26.097 26.630 18.223 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -27.169 26.617 17.153 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -23.695 15.461 13.359 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -24.556 15.374 12.951 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -23.717 16.317 13.786 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -19.032 15.183 16.733 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -18.612 14.768 17.486 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -19.965 15.005 16.850 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -18.969 21.239 19.671 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -19.532 20.535 19.991 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -18.143 21.119 20.138 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -25.854 20.747 16.321 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -25.892 21.147 17.189 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -26.345 19.930 16.411 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -29.246 17.863 10.171 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -28.615 17.834 10.891 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -28.796 17.438 9.441 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -25.735 25.456 19.601 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -25.002 25.710 20.162 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -26.515 25.660 20.116 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -13.385 24.597 15.224 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -12.743 25.054 14.681 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -14.215 24.710 14.762 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -19.015 25.648 17.675 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -19.361 25.267 18.481 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -19.215 26.582 17.746 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -28.402 23.220 17.522 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -28.179 22.802 18.354 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -29.004 22.607 17.100 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -16.765 28.110 17.625 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -17.666 28.293 17.357 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -16.731 28.369 18.546 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -11.070 26.155 18.829 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -11.922 26.393 18.462 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -10.480 26.138 18.076 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -21.093 30.089 15.503 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -20.730 30.944 15.270 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -20.561 29.797 16.244 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -22.924 30.962 8.733 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -23.874 31.067 8.785 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -22.573 31.782 9.078 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -17.549 26.188 15.204 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -17.975 25.961 16.030 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -16.968 25.450 15.021 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -26.768 17.973 17.080 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -27.661 18.312 17.013 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -26.867 17.118 17.498 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -27.117 29.778 15.515 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -26.900 28.846 15.484 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -26.870 30.052 16.399 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -13.620 30.994 13.640 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -13.776 31.672 12.983 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -12.688 31.066 13.843 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -26.125 15.112 12.377 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -26.354 15.171 11.450 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -26.568 14.320 12.684 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -27.195 29.052 8.538 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -28.027 29.525 8.565 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -26.649 29.562 7.939 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -27.999 25.475 20.822 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -27.855 24.573 20.536 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -28.772 25.761 20.334 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -21.344 25.445 20.255 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -21.672 25.716 19.397 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -21.192 24.504 20.167 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -15.609 25.361 17.638 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -14.864 25.949 17.518 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -16.366 25.943 17.701 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -27.167 22.675 20.242 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -26.759 21.818 20.121 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -27.427 22.690 21.163 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -18.200 24.155 20.894 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -17.247 24.239 20.866 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -18.360 23.444 21.513 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -22.880 19.039 18.699 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -22.730 18.310 18.096 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -22.878 19.816 18.140 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -16.470 20.663 21.459 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -16.278 19.732 21.348 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -15.613 21.088 21.449 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -15.154 23.452 19.537 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -15.435 24.161 18.959 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -14.211 23.379 19.386 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -24.402 20.237 20.610 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -25.169 19.705 20.400 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -23.723 19.927 20.011 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -21.662 14.865 16.623 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -21.760 15.812 16.517 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -22.405 14.493 16.147 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -20.398 19.187 20.186 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -20.634 18.967 21.088 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -21.181 18.980 19.677 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -17.682 18.314 19.262 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -18.630 18.346 19.394 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -17.370 17.689 19.916 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -16.048 16.948 21.267 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -16.145 15.996 21.261 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -16.370 17.217 22.128 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -26.221 18.158 20.315 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -26.010 17.451 19.704 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -26.333 17.720 21.159 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -21.440 14.159 19.294 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -20.728 13.519 19.280 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -21.541 14.426 18.380 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -21.087 15.842 21.348 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -21.218 15.366 20.527 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -21.686 16.586 21.292 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -29.323 32.754 9.084 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -29.970 32.292 8.551 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -28.968 32.082 9.667 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -28.453 30.835 10.889 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -28.787 29.954 11.061 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -28.231 31.180 11.753 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -10.904 31.644 13.869 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -10.926 31.829 14.808 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -10.214 32.213 13.528 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -12.890 27.001 21.429 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -13.756 26.896 21.823 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -12.514 27.760 21.876 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -11.436 26.096 13.715 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -10.602 25.718 13.434 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -11.324 27.039 13.596 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -28.373 23.910 13.340 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -28.189 23.828 12.405 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -27.524 23.786 13.764 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -12.552 23.802 18.969 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -11.969 23.068 19.160 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -11.988 24.574 19.015 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -28.775 19.181 19.481 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -27.856 19.059 19.717 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -29.225 18.431 19.870 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -10.774 14.713 21.358 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -10.424 14.059 20.752 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -10.627 15.550 20.918 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -27.554 17.493 12.372 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -27.109 16.701 12.674 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -27.088 18.209 12.803 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -29.250 20.492 13.441 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -28.758 20.271 12.651 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -28.888 21.333 13.722 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -11.254 16.822 19.707 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -12.171 17.093 19.671 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -11.131 16.287 18.923 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -28.937 16.750 7.496 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -29.862 16.959 7.366 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -28.483 17.234 6.806 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -26.781 28.663 19.984 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -27.602 28.838 19.524 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -27.033 28.590 20.905 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -23.827 29.638 16.243 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -24.252 30.447 15.960 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -22.922 29.723 15.941 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -24.869 30.227 11.856 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -25.088 29.311 12.025 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -24.045 30.367 12.322 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -22.332 30.697 12.704 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -22.119 29.809 12.417 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -22.267 30.663 13.659 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -18.823 16.361 11.849 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -19.498 15.732 12.104 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -18.259 15.877 11.246 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -26.497 14.995 9.671 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -27.274 14.761 9.163 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -25.966 14.198 9.679 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -27.660 14.793 5.474 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -27.221 15.404 4.883 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -28.294 15.331 5.948 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -21.917 14.922 9.484 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -21.043 15.310 9.454 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -22.053 14.707 10.407 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -15.007 14.978 6.826 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -15.710 15.592 6.616 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -15.452 14.140 6.957 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -16.144 14.192 20.906 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -16.068 13.766 21.760 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -15.251 14.206 20.564 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -18.643 21.853 22.976 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -17.942 21.875 23.627 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -18.341 21.225 22.320 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -12.722 14.517 24.387 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -13.621 14.656 24.682 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -12.470 15.348 23.985 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -14.943 23.800 22.204 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -14.901 23.577 21.274 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -14.094 24.198 22.394 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -19.370 17.676 22.874 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -19.624 17.695 23.797 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -19.627 16.804 22.573 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -22.488 18.121 21.975 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -22.919 17.676 22.705 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -23.206 18.493 21.463 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -23.870 20.899 23.358 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -24.412 20.519 22.667 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -23.036 21.093 22.929 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -16.637 18.278 23.493 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -17.575 18.390 23.342 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -16.340 19.135 23.799 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -11.034 20.355 24.848 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -11.588 19.959 24.176 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -10.933 21.265 24.571 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -27.280 23.139 23.055 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -26.664 23.766 23.434 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -28.142 23.455 23.326 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -21.255 28.229 21.581 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -21.016 27.481 21.033 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -21.524 27.841 22.413 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -23.658 25.819 21.810 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -23.594 25.025 22.341 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -23.005 25.700 21.121 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -18.306 26.866 21.546 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -18.574 27.046 22.447 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -18.512 25.940 21.415 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -22.509 23.791 24.116 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -22.968 23.307 24.802 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -22.254 23.123 23.480 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -21.438 22.034 22.379 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -21.618 21.880 21.451 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -20.487 22.142 22.423 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -12.048 24.389 21.824 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -12.321 23.964 21.011 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -12.008 25.320 21.607 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -10.927 23.212 24.014 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -11.448 23.569 23.295 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -10.960 23.887 24.692 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -12.578 20.452 22.565 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -12.481 21.119 21.885 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -12.718 19.636 22.083 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -13.330 17.860 21.682 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -12.720 17.488 22.319 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -14.167 17.438 21.878 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -11.218 16.745 23.225 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -10.805 16.024 22.749 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -10.536 17.415 23.283 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -26.117 41.877 -41.927 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -26.075 41.251 -41.203 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -25.414 42.500 -41.745 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -25.193 46.327 -43.392 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -25.563 45.525 -43.761 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -24.252 46.158 -43.345 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -28.583 39.987 -47.999 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -29.031 40.833 -48.017 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -29.144 39.407 -48.514 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -27.873 42.149 -45.873 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -27.659 41.379 -45.346 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -27.135 42.238 -46.476 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -27.180 39.587 -44.752 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -26.526 39.037 -44.320 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -27.156 39.313 -45.668 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -25.396 38.000 -43.487 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -24.783 38.633 -43.114 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -24.884 37.528 -44.144 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -24.013 45.748 -40.365 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -24.019 46.627 -40.743 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -24.867 45.665 -39.940 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -25.479 42.457 -39.073 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -25.409 43.108 -38.375 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -26.370 42.560 -39.408 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -24.160 48.331 -37.538 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -24.152 48.195 -38.486 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -25.076 48.213 -37.286 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -26.314 45.847 -39.205 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -26.097 45.486 -38.345 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -27.169 45.473 -39.415 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -25.854 39.603 -40.247 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -25.892 40.003 -39.379 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -26.345 38.786 -40.157 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -29.246 36.719 -46.397 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -28.615 36.690 -45.677 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -28.796 36.294 -47.127 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -25.735 44.312 -36.967 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -25.002 44.566 -36.406 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -26.515 44.516 -36.452 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -25.410 43.615 -44.361 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -24.665 43.613 -44.962 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -25.332 42.791 -43.879 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -28.402 42.076 -39.046 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -28.179 41.658 -38.214 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -29.004 41.463 -39.468 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -26.768 36.829 -39.488 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -27.661 37.168 -39.555 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -26.867 35.974 -39.070 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -27.117 48.634 -41.053 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -26.900 47.702 -41.084 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -26.870 48.908 -40.169 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -27.906 50.521 -36.700 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -27.366 50.304 -35.941 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -28.387 49.715 -36.890 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -23.309 49.440 -35.080 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -22.541 48.981 -34.739 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -23.330 49.214 -36.010 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -27.167 41.531 -36.326 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -26.759 40.674 -36.447 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -27.427 41.546 -35.405 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -28.453 49.691 -45.679 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -28.787 48.810 -45.507 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -28.231 50.036 -44.815 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -28.775 38.037 -37.087 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -27.856 37.915 -36.851 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -29.225 37.287 -36.698 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -27.554 36.349 -44.196 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -27.109 35.557 -43.894 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -27.088 37.065 -43.765 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -28.973 34.344 -40.728 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -29.638 34.098 -40.085 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -29.416 34.966 -41.305 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -23.827 48.494 -40.325 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -24.252 49.303 -40.608 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -22.922 48.579 -40.627 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -26.425 51.750 -40.278 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -27.145 52.190 -40.729 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -26.791 51.499 -39.429 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -27.010 50.373 -43.367 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -27.029 49.948 -42.510 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -26.205 50.055 -43.776 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -26.117 41.877 -23.071 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -26.075 41.251 -22.347 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -25.414 42.500 -22.889 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -28.583 39.987 -29.143 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -29.031 40.833 -29.161 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -29.144 39.407 -29.658 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -27.873 42.149 -27.017 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -27.659 41.379 -26.490 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -27.135 42.238 -27.620 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -20.096 44.695 -24.258 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -19.792 44.009 -24.852 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -19.374 44.813 -23.640 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -27.180 39.587 -25.896 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -26.526 39.037 -25.464 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -27.156 39.313 -26.812 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -24.990 36.108 -22.584 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -25.209 36.638 -23.350 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -25.658 36.335 -21.936 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -22.421 43.784 -22.296 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -23.161 44.382 -22.193 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -21.707 44.338 -22.612 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -23.646 43.091 -27.796 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -23.976 42.721 -28.615 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -23.058 42.421 -27.450 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -22.279 46.519 -25.115 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -22.374 45.941 -25.872 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -21.550 46.148 -24.619 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -23.279 41.860 -24.163 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -22.714 41.981 -24.926 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -22.960 42.497 -23.524 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -18.694 48.360 -28.559 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -18.220 48.655 -27.781 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -19.257 49.098 -28.792 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -24.656 42.161 -30.207 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -24.948 42.929 -30.698 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -25.330 41.501 -30.370 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -19.636 47.544 -19.950 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -19.549 48.370 -19.475 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -20.500 47.214 -19.701 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -19.222 51.316 -30.144 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -19.297 51.195 -31.090 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -19.189 52.266 -30.025 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -19.032 34.039 -20.979 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -18.612 33.624 -20.226 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -19.965 33.861 -20.862 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -23.604 39.283 -23.258 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -24.246 39.242 -22.549 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -23.567 40.209 -23.496 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -25.854 39.603 -21.391 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -25.892 40.003 -20.523 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -26.345 38.786 -21.301 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -20.535 44.320 -31.274 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -21.279 43.813 -31.597 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -20.669 44.369 -30.328 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -19.015 44.504 -20.037 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -19.361 44.123 -19.231 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -19.215 45.438 -19.966 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -25.410 43.615 -25.505 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -24.665 43.613 -26.106 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -25.332 42.791 -25.023 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -21.385 41.593 -17.977 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -21.681 41.427 -18.872 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -20.454 41.373 -17.987 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -27.280 41.995 -33.513 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -26.664 42.622 -33.134 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -28.142 42.311 -33.242 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -21.608 44.796 -28.524 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -21.849 45.721 -28.482 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -22.348 44.337 -28.128 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -21.093 48.945 -22.209 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -20.730 49.800 -22.442 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -20.561 48.653 -21.468 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -26.768 36.829 -20.632 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -27.661 37.168 -20.699 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -26.867 35.974 -20.214 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -21.255 47.085 -34.987 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -21.016 46.337 -35.535 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -21.524 46.697 -34.155 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -22.318 46.655 -32.531 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -22.171 46.135 -31.741 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -22.321 47.562 -32.225 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -25.865 43.908 -32.021 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -26.551 44.260 -31.454 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -25.342 44.671 -32.267 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -19.580 48.353 -31.782 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -20.397 48.850 -31.729 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -19.051 48.828 -32.422 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -22.242 49.396 -31.800 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -22.081 50.196 -32.301 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -22.439 49.703 -30.915 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -25.249 46.522 -33.124 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -24.657 47.221 -32.848 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -24.790 46.089 -33.843 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -16.732 47.820 -17.495 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -17.083 46.964 -17.252 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -16.006 47.963 -16.888 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -23.658 44.675 -34.758 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -23.594 43.881 -34.227 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -23.005 44.556 -35.447 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -21.344 44.301 -17.457 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -21.672 44.572 -18.315 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -21.192 43.360 -17.545 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -22.509 42.647 -32.452 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -22.968 42.163 -31.766 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -22.254 41.979 -33.088 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -23.220 40.540 -20.096 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -23.838 41.215 -19.815 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -22.876 40.861 -20.929 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -18.200 43.011 -16.818 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -17.247 43.095 -16.846 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -18.360 42.300 -16.199 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -22.880 37.895 -19.013 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -22.730 37.166 -19.616 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -22.878 38.672 -19.572 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -20.886 41.704 -21.281 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -20.135 41.548 -21.854 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -21.225 42.556 -21.557 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -24.402 39.093 -17.102 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -25.169 38.561 -17.312 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -23.723 38.783 -17.701 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -21.662 33.721 -21.089 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -21.760 34.668 -21.195 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -22.405 33.349 -21.565 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -20.398 38.043 -17.526 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -20.634 37.823 -16.624 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -21.181 37.836 -18.035 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -17.682 37.170 -18.450 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -18.630 37.202 -18.318 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -17.370 36.545 -17.796 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -16.048 35.804 -16.445 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -16.145 34.852 -16.451 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -16.370 36.073 -15.584 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -21.440 33.015 -18.418 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -20.728 32.375 -18.432 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -21.541 33.282 -19.332 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -21.540 51.581 -33.188 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -20.607 51.739 -33.044 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -21.804 52.256 -33.813 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -10.774 33.569 -16.354 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -10.424 32.915 -16.960 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -10.627 34.406 -16.794 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -29.250 39.348 -24.271 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -28.758 39.127 -25.061 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -28.888 40.189 -23.990 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -28.973 34.344 -21.872 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -29.638 34.098 -21.229 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -29.416 34.966 -22.449 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -19.516 49.893 -18.510 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -19.331 49.559 -17.632 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -18.669 50.202 -18.832 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -23.958 51.350 -22.392 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -24.823 51.422 -21.988 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -24.013 51.897 -23.176 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -22.332 49.553 -25.008 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -22.119 48.665 -25.295 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -22.267 49.519 -24.053 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -26.539 34.365 -18.524 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -26.905 33.600 -18.081 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -25.626 34.394 -18.237 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -24.566 33.716 -16.988 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -23.667 33.442 -17.173 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -24.952 32.973 -16.524 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -25.941 50.517 -34.315 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -26.209 50.804 -33.442 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -25.170 49.971 -34.163 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -16.144 33.048 -16.806 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -16.068 32.622 -15.952 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -15.251 33.062 -17.148 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -17.418 43.007 -9.227 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -17.329 43.951 -9.359 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -18.057 42.732 -9.885 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -14.779 45.201 -7.506 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -15.220 44.481 -7.056 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -14.792 45.922 -6.876 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -25.193 46.327 -5.680 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -25.563 45.525 -6.049 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -24.252 46.158 -5.633 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -20.096 44.695 -5.402 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -19.792 44.009 -5.996 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -19.374 44.813 -4.784 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -17.621 45.608 -10.184 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -17.917 45.286 -11.035 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -17.945 46.508 -10.142 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -22.421 43.784 -3.440 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -23.161 44.382 -3.337 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -21.707 44.338 -3.756 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -24.013 45.748 -2.653 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -24.019 46.627 -3.031 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -24.867 45.665 -2.228 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -14.267 47.041 -5.158 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -15.209 47.099 -4.997 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -13.991 47.947 -5.295 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -16.015 48.822 -8.533 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -15.590 48.115 -9.018 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -15.698 49.623 -8.950 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -14.856 46.723 -10.024 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -15.113 46.033 -10.636 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -14.785 46.280 -9.179 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -18.697 42.251 -11.775 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -19.409 42.786 -12.126 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -18.006 42.307 -12.435 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -15.291 42.461 -10.823 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -16.023 42.689 -10.250 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -14.844 41.747 -10.368 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -22.279 46.519 -6.259 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -22.374 45.941 -7.016 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -21.550 46.148 -5.763 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -16.970 47.363 -4.573 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -17.211 48.025 -3.925 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -17.168 46.529 -4.148 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -22.399 46.259 -0.590 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -22.711 47.041 -0.134 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -23.049 46.106 -1.276 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -16.420 41.623 -13.138 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -15.841 41.773 -12.391 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -16.006 42.094 -13.861 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -12.722 33.373 -13.325 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -13.621 33.512 -13.030 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -12.470 34.204 -13.727 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -28.563 44.524 -2.536 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -29.064 44.496 -3.351 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -28.557 43.618 -2.226 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -28.812 47.304 -5.652 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -27.866 47.160 -5.671 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -28.925 48.088 -5.115 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -10.615 47.970 0.030 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -10.664 47.015 -0.007 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -11.441 48.238 0.432 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -19.636 47.544 -1.094 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -19.549 48.370 -0.619 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -20.500 47.214 -0.845 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -25.568 50.105 -9.507 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -25.416 49.757 -8.628 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -26.419 49.749 -9.762 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -26.314 45.847 -1.493 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -26.097 45.486 -0.633 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -27.169 45.473 -1.703 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -14.943 42.656 -15.508 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -14.901 42.433 -16.438 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -14.094 43.054 -15.318 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -19.370 36.532 -14.838 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -19.624 36.551 -13.915 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -19.627 35.660 -15.139 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -18.071 39.920 -10.673 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -18.480 40.735 -10.965 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -17.351 39.780 -11.288 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -22.488 36.977 -15.737 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -22.919 36.532 -15.007 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -23.206 37.349 -16.249 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -22.544 38.560 -11.921 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -21.612 38.689 -11.743 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -22.759 39.230 -12.570 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -23.870 39.755 -14.354 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -24.412 39.375 -15.045 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -23.036 39.949 -14.783 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -25.735 44.312 0.745 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -25.002 44.566 1.306 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -26.515 44.516 1.260 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -20.535 44.320 -12.418 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -21.279 43.813 -12.741 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -20.669 44.369 -11.472 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -16.637 37.134 -14.219 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -17.575 37.246 -14.370 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -16.340 37.991 -13.913 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -19.015 44.504 -1.181 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -19.361 44.123 -0.375 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -19.215 45.438 -1.110 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -15.919 39.001 -12.558 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -15.027 38.864 -12.239 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -15.862 39.792 -13.095 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -18.409 45.779 -13.393 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -18.704 46.605 -13.011 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -19.112 45.159 -13.197 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -28.402 42.076 -1.334 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -28.179 41.658 -0.502 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -29.004 41.463 -1.756 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -21.385 41.593 0.879 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -21.681 41.427 -0.016 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -20.454 41.373 0.869 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -16.765 46.966 -1.231 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -17.666 47.149 -1.499 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -16.731 47.225 -0.310 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -11.034 39.211 -12.864 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -11.588 38.815 -13.536 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -10.933 40.121 -13.141 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -12.738 47.997 -12.399 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -13.111 47.171 -12.089 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -12.461 47.814 -13.296 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -23.035 47.133 -9.244 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -22.508 47.906 -9.445 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -23.915 47.358 -9.546 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -21.608 44.796 -9.668 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -21.849 45.721 -9.626 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -22.348 44.337 -9.272 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -17.549 45.044 -3.652 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -17.975 44.817 -2.826 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -16.968 44.306 -3.835 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -14.890 49.596 -1.183 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -15.492 49.041 -1.678 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -14.609 50.263 -1.809 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -14.480 44.646 -12.352 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -14.757 43.918 -11.796 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -13.553 44.765 -12.146 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -22.318 46.655 -13.675 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -22.171 46.135 -12.885 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -22.321 47.562 -13.369 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -17.249 36.222 -11.789 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -17.029 36.694 -12.592 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -16.691 36.617 -11.118 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -19.580 48.353 -12.926 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -20.397 48.850 -12.873 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -19.051 48.828 -13.566 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -20.049 37.950 -10.954 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -19.237 38.454 -10.908 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -20.294 37.805 -10.040 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -22.242 49.396 -12.944 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -22.081 50.196 -13.445 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -22.439 49.703 -12.059 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -23.508 36.094 -13.328 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -23.591 36.983 -12.982 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -22.618 35.829 -13.097 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -13.620 49.850 -5.216 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -13.776 50.528 -5.873 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -12.688 49.922 -5.013 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -27.195 47.908 -10.318 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -28.027 48.381 -10.291 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -26.649 48.418 -10.917 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -19.217 48.948 -15.993 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -19.861 48.317 -15.671 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -18.455 48.417 -16.225 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -16.732 47.820 1.361 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -17.083 46.964 1.604 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -16.006 47.963 1.968 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -27.999 44.331 1.966 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -27.855 43.429 1.680 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -28.772 44.617 1.478 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -21.344 44.301 1.399 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -21.672 44.572 0.541 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -21.192 43.360 1.311 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -18.306 45.722 -16.166 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -18.574 45.902 -15.265 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -18.512 44.796 -16.297 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -27.167 41.531 1.386 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -26.759 40.674 1.265 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -27.427 41.546 2.307 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -22.509 42.647 -13.596 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -22.968 42.163 -12.910 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -22.254 41.979 -14.232 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -21.438 40.890 -15.333 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -21.618 40.736 -16.261 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -20.487 40.998 -15.289 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -12.048 43.245 -15.888 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -12.321 42.820 -16.701 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -12.008 44.176 -16.105 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -24.402 39.093 1.754 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -25.169 38.561 1.544 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -23.723 38.783 1.155 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -26.221 37.014 1.459 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -26.010 36.307 0.848 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -26.333 36.576 2.303 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -21.540 51.581 -14.332 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -20.607 51.739 -14.188 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -21.804 52.256 -14.957 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -28.453 49.691 -7.967 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -28.787 48.810 -7.795 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -28.231 50.036 -7.103 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -10.904 50.500 -4.987 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -10.926 50.685 -4.048 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -10.214 51.069 -5.328 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -11.341 50.067 -2.065 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -11.828 49.332 -2.436 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -10.792 49.674 -1.387 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -12.890 45.857 2.573 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -13.756 45.752 2.967 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -12.514 46.616 3.020 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -11.589 44.114 -11.913 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -10.739 44.535 -11.785 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -11.584 43.374 -11.305 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -12.949 47.830 -2.834 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -13.597 48.155 -2.209 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -13.467 47.390 -3.509 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -10.927 42.068 -13.698 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -11.448 42.425 -14.417 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -10.960 42.743 -13.020 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -12.578 39.308 -15.147 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -12.481 39.975 -15.827 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -12.718 38.492 -15.629 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -28.775 38.037 0.625 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -27.856 37.915 0.861 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -29.225 37.287 1.014 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -13.084 35.534 -11.015 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -12.902 35.085 -10.190 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -13.684 34.949 -11.479 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -11.218 35.601 -14.487 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -10.805 34.880 -14.963 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -10.536 36.271 -14.429 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -24.869 49.083 -7.000 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -25.088 48.167 -6.831 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -24.045 49.223 -6.534 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -15.007 33.834 -12.030 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -15.710 34.448 -12.240 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -15.452 32.996 -11.899 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -27.759 49.597 -12.484 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -28.444 49.559 -13.152 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -27.756 50.510 -12.196 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -18.895 50.807 -14.087 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -18.029 51.173 -14.265 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -19.142 50.367 -14.900 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -24.566 33.716 1.868 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -23.667 33.442 1.683 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -24.952 32.973 2.332 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -25.941 50.517 -15.459 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -26.209 50.804 -14.586 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -25.170 49.971 -15.307 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -12.968 49.121 0.743 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -13.750 48.935 0.223 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -13.040 50.050 0.960 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -17.418 43.007 9.629 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -17.329 43.951 9.497 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -18.057 42.732 8.971 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -11.433 36.296 14.315 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -11.384 36.906 15.051 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -11.007 36.757 13.592 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -23.800 37.190 11.054 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -23.757 38.050 10.636 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -24.258 36.638 10.421 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -16.078 37.321 9.455 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -15.432 36.992 10.080 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -15.568 37.839 8.832 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -22.024 41.137 11.032 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -21.408 40.611 11.541 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -22.610 40.497 10.628 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -17.621 45.608 8.672 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -17.917 45.286 7.821 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -17.945 46.508 8.714 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -14.314 36.612 11.436 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -14.529 35.846 11.968 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -13.658 37.084 11.949 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -20.964 33.414 12.581 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -21.081 32.465 12.527 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -21.819 33.746 12.854 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -15.291 42.461 8.033 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -16.023 42.689 8.606 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -14.844 41.747 8.488 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -23.646 43.091 9.916 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -23.976 42.721 9.097 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -23.058 42.421 10.262 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -24.656 42.161 7.505 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -24.948 42.929 7.014 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -25.330 41.501 7.342 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -11.532 47.739 3.908 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -11.459 48.678 4.078 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -10.627 47.434 3.851 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -23.607 39.504 9.366 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -24.500 39.163 9.307 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -23.156 39.127 8.610 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -17.067 39.366 10.997 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -17.262 39.971 10.282 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -16.885 38.532 10.562 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -27.971 37.465 5.595 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -27.497 38.056 5.010 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -28.689 37.996 5.942 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -21.025 36.931 10.452 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -21.936 36.988 10.741 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -20.520 36.871 11.263 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -26.197 38.560 9.279 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -27.086 38.660 8.939 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -25.901 37.718 8.933 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -22.544 38.560 6.935 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -21.612 38.689 7.113 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -22.759 39.230 6.286 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -16.620 36.166 13.716 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -17.297 36.297 14.380 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -17.106 36.011 12.906 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -23.870 39.755 4.502 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -24.412 39.375 3.811 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -23.036 39.949 4.073 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -19.705 39.719 12.339 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -19.141 39.172 11.792 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -19.853 39.197 13.128 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -24.703 35.855 8.757 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -25.020 34.953 8.722 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -23.922 35.857 8.205 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -20.535 44.320 6.438 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -21.279 43.813 6.115 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -20.669 44.369 7.384 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -18.409 45.779 5.463 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -18.704 46.605 5.845 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -19.112 45.159 5.659 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -21.608 44.796 9.188 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -21.849 45.721 9.230 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -22.348 44.337 9.584 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -15.346 45.973 4.278 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -14.993 45.593 5.082 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -16.295 45.880 4.364 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -14.480 44.646 6.504 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -14.757 43.918 7.060 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -13.553 44.765 6.710 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -21.255 47.085 2.725 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -21.016 46.337 2.177 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -21.524 46.697 3.557 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -22.318 46.655 5.181 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -22.171 46.135 5.971 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -22.321 47.562 5.487 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -14.707 40.594 12.018 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -15.504 40.179 11.689 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -14.262 39.903 12.509 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -26.933 39.186 3.704 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -26.978 40.125 3.883 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -27.821 38.950 3.434 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -14.613 48.765 3.097 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -14.330 47.971 3.550 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -13.873 48.998 2.536 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -23.658 44.675 2.954 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -23.594 43.881 3.485 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -23.005 44.556 2.265 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -18.306 45.722 2.690 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -18.574 45.902 3.591 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -18.512 44.796 2.559 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -22.509 42.647 5.260 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -22.968 42.163 5.946 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -22.254 41.979 4.624 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -11.589 44.114 6.943 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -10.739 44.535 7.071 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -11.584 43.374 7.551 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -11.195 42.167 8.767 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -11.921 41.688 9.165 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -10.614 42.373 9.499 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -13.408 40.688 9.330 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -13.558 39.743 9.310 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -13.762 40.969 10.174 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -13.086 38.852 13.228 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -12.153 39.064 13.194 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -13.321 38.954 14.151 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -18.823 35.217 11.849 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -19.498 34.588 12.104 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -18.259 34.733 11.246 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -13.681 33.324 11.961 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -13.077 33.872 11.460 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -14.550 33.644 11.721 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -26.497 33.851 9.671 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -27.274 33.617 9.163 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -25.966 33.054 9.679 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -27.660 33.649 5.474 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -27.221 34.260 4.883 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -28.294 34.187 5.948 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -16.360 33.808 11.133 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -16.284 33.903 10.184 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -16.636 32.900 11.262 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -25.799 35.565 3.917 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -25.308 34.935 3.389 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -25.176 35.861 4.580 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -28.973 53.200 -40.728 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -29.638 52.954 -40.085 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -29.416 53.822 -41.305 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -26.539 53.221 -37.380 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -26.905 52.456 -36.937 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -25.626 53.250 -37.093 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -24.566 52.572 -35.844 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -23.667 52.298 -36.029 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -24.952 51.829 -35.380 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -28.583 58.843 -29.143 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -29.031 59.689 -29.161 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -29.144 58.263 -29.658 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -23.800 56.046 -26.658 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -23.757 56.906 -27.076 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -24.258 55.494 -27.291 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -27.180 58.443 -25.896 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -26.526 57.893 -25.464 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -27.156 58.169 -26.812 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -24.990 54.964 -22.584 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -25.209 55.494 -23.350 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -25.658 55.191 -21.936 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -25.396 56.856 -24.631 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -24.783 57.489 -24.258 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -24.884 56.384 -25.288 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -20.964 52.270 -25.131 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -21.081 51.321 -25.185 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -21.819 52.602 -24.858 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -23.695 53.173 -24.353 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -24.556 53.086 -24.761 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -23.717 54.029 -23.926 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -25.854 58.459 -21.391 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -25.892 58.859 -20.523 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -26.345 57.642 -21.301 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -29.246 55.575 -27.541 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -28.615 55.546 -26.821 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -28.796 55.150 -28.271 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -27.971 56.321 -32.117 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -27.497 56.912 -32.702 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -28.689 56.852 -31.770 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -26.197 57.416 -28.433 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -27.086 57.516 -28.773 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -25.901 56.574 -28.779 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -24.703 54.711 -28.955 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -25.020 53.809 -28.990 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -23.922 54.713 -29.507 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -26.768 55.685 -20.632 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -27.661 56.024 -20.699 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -26.867 54.830 -20.214 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -23.508 54.950 -32.184 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -23.591 55.839 -31.838 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -22.618 54.685 -31.953 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -26.125 52.824 -25.335 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -26.354 52.883 -26.262 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -26.568 52.032 -25.028 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -22.468 55.121 -21.521 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -21.932 55.572 -22.173 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -23.320 55.013 -21.943 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -21.662 52.577 -21.089 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -21.760 53.524 -21.195 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -22.405 52.205 -21.565 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -26.221 55.870 -17.397 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -26.010 55.163 -18.008 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -26.333 55.432 -16.553 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -21.440 51.871 -18.418 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -20.728 51.231 -18.432 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -21.541 52.138 -19.332 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -21.087 53.554 -16.364 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -21.218 53.078 -17.185 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -21.686 54.298 -16.420 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -28.775 56.893 -18.231 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -27.856 56.771 -17.995 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -29.225 56.143 -17.842 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -27.554 55.205 -25.340 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -27.109 54.413 -25.038 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -27.088 55.921 -24.909 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -29.250 58.204 -24.271 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -28.758 57.983 -25.061 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -28.888 59.045 -23.990 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -21.917 52.634 -28.228 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -21.043 53.022 -28.258 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -22.053 52.419 -27.305 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -25.799 54.421 -33.795 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -25.308 53.791 -34.323 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -25.176 54.717 -33.132 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -26.539 53.221 -18.524 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -26.905 52.456 -18.081 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -25.626 53.250 -18.237 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -24.566 52.572 -16.988 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -23.667 52.298 -17.173 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -24.952 51.829 -16.524 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -27.660 52.505 -13.382 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -27.221 53.116 -13.973 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -28.294 53.043 -12.908 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -25.799 54.421 -14.939 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -25.308 53.791 -15.467 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -25.176 54.717 -14.276 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -3.543 -29.165 18.266 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -3.855 -28.383 18.722 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -4.193 -29.318 17.580 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -6.623 -32.967 17.495 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -6.553 -32.316 18.193 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -7.514 -32.864 17.160 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -5.304 -27.093 19.030 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -5.296 -27.229 18.082 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -6.220 -27.211 19.282 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -9.707 -30.900 16.320 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -10.208 -30.928 15.505 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -9.701 -31.806 16.630 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -0.780 -27.880 17.762 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -0.693 -27.054 18.237 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -1.644 -28.210 18.011 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -7.458 -29.577 17.363 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -7.241 -29.938 18.223 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -8.313 -29.951 17.153 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -6.879 -31.112 19.601 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -6.146 -30.858 20.162 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -7.659 -30.908 20.116 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -9.546 -33.348 17.522 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -9.323 -33.766 18.354 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -10.148 -33.961 17.100 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -2.237 -26.479 15.503 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -1.874 -25.624 15.270 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -1.705 -26.771 16.244 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -8.261 -26.790 15.515 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -8.044 -27.722 15.484 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -8.014 -26.516 16.399 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -8.311 -33.893 20.242 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -7.903 -34.750 20.121 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -8.571 -33.878 21.163 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -9.919 -37.387 19.481 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -9.000 -37.509 19.717 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -10.369 -38.137 19.870 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -7.925 -27.905 19.984 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -8.746 -27.730 19.524 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -8.177 -27.978 20.905 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -4.971 -26.930 16.243 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -5.396 -26.121 15.960 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -4.066 -26.845 15.941 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -0.660 -25.531 19.202 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -0.475 -25.865 20.080 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 0.187 -25.222 18.880 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -7.569 -23.674 16.290 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -8.289 -23.234 15.839 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -7.935 -23.925 17.139 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -5.102 -24.074 15.320 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -5.967 -24.002 15.724 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -5.157 -23.527 14.536 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -6.337 -29.097 32.032 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -6.707 -29.899 31.663 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -5.396 -29.266 32.079 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -9.727 -35.437 27.425 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -10.175 -34.591 27.407 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -10.288 -36.017 26.910 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -9.017 -33.275 29.551 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -8.803 -34.045 30.078 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -8.279 -33.186 28.948 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -5.800 -33.263 26.361 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -6.092 -32.495 25.870 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -6.474 -33.923 26.198 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -9.956 -28.120 32.060 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -9.010 -28.264 32.041 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -10.069 -27.336 32.597 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -0.366 -24.108 26.424 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -0.441 -24.229 25.478 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -0.333 -23.158 26.543 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -6.712 -25.319 28.205 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -6.560 -25.667 29.084 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -7.563 -25.675 27.950 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -9.115 -37.959 24.451 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -8.641 -37.368 23.866 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -9.833 -37.428 24.798 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -5.014 -35.669 23.358 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -5.556 -36.049 22.667 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -4.180 -35.475 22.929 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -6.554 -31.809 31.063 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -5.809 -31.811 30.462 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -6.476 -32.633 31.545 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -4.179 -28.291 28.468 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -3.652 -27.518 28.267 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -5.059 -28.066 28.166 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -4.068 -25.606 27.589 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -5.018 -25.501 27.641 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -3.717 -24.786 27.934 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -8.261 -26.790 34.371 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -8.044 -27.722 34.340 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -8.014 -26.516 35.255 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -2.399 -28.339 21.581 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -2.160 -29.087 21.033 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -2.668 -28.727 22.413 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -3.462 -28.769 24.037 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -3.315 -29.289 24.827 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -3.465 -27.862 24.343 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -7.009 -31.516 24.547 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -7.695 -31.164 25.114 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -6.486 -30.753 24.301 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -0.724 -27.071 24.786 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -1.541 -26.574 24.839 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -0.195 -26.596 24.146 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -6.393 -28.902 23.444 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -5.801 -28.203 23.720 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -5.934 -29.335 22.725 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -8.077 -36.238 22.560 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -8.122 -35.299 22.739 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -8.965 -36.474 22.290 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -0.361 -26.476 21.719 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -1.005 -27.107 22.041 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 0.401 -27.007 21.487 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -4.802 -30.749 21.810 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -4.738 -31.543 22.341 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -4.149 -30.868 21.121 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -9.517 -32.658 32.196 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -9.333 -32.740 31.261 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -8.668 -32.782 32.620 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -8.154 -25.051 32.057 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -8.173 -25.476 32.914 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -7.349 -25.369 31.648 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -6.013 -26.341 30.712 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -6.232 -27.257 30.881 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -5.189 -26.201 31.178 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -0.039 -24.617 23.625 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 0.827 -24.251 23.447 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -0.286 -25.057 22.812 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -7.261 -14.691 14.641 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -7.219 -15.317 15.365 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -6.558 -14.068 14.823 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -6.337 -10.241 13.176 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -6.707 -11.043 12.807 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -5.396 -10.410 13.223 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -6.134 -20.460 15.128 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -6.353 -19.930 14.362 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -6.802 -20.233 15.776 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -5.157 -10.820 16.203 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -5.163 -9.941 15.825 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -6.011 -10.903 16.628 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -3.543 -10.309 18.266 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -3.855 -9.527 18.722 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -4.193 -10.462 17.580 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -6.623 -14.111 17.495 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -6.553 -13.460 18.193 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -7.514 -14.008 17.160 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -9.707 -12.044 16.320 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -10.208 -12.072 15.505 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -9.701 -12.950 16.630 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -9.956 -9.264 13.204 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -9.010 -9.408 13.185 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -10.069 -8.480 13.741 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -0.780 -9.024 17.762 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -0.693 -8.198 18.237 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -1.644 -9.354 18.011 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -6.998 -16.965 16.321 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -7.036 -16.565 17.189 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -7.489 -17.782 16.411 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -2.529 -14.975 19.735 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -2.825 -15.141 18.840 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -1.598 -15.195 19.725 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -2.237 -7.623 15.503 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -1.874 -6.768 15.270 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -1.705 -7.915 16.244 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -7.912 -19.739 17.080 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -8.805 -19.400 17.013 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -8.011 -20.594 17.498 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -2.488 -12.267 20.255 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -2.816 -11.996 19.397 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -2.336 -13.208 20.167 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -4.364 -16.028 17.616 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -4.982 -15.353 17.897 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -4.020 -15.707 16.783 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -4.024 -18.673 18.699 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -3.874 -19.402 18.096 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -4.022 -17.896 18.140 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -3.612 -20.303 16.191 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -3.076 -19.852 15.539 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -4.464 -20.411 15.769 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -5.546 -17.475 20.610 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -6.313 -18.007 20.400 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -4.867 -17.785 20.011 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -2.806 -22.847 16.623 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -2.904 -21.900 16.517 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -3.549 -23.219 16.147 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -1.542 -18.525 20.186 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -1.778 -18.745 21.088 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -2.325 -18.732 19.677 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -2.584 -23.553 19.294 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -1.872 -24.193 19.280 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -2.685 -23.286 18.380 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -2.231 -21.870 21.348 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -2.362 -22.346 20.527 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -2.830 -21.126 21.292 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -9.517 -13.802 13.340 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -9.333 -13.884 12.405 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -8.668 -13.926 13.764 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -10.394 -17.220 13.441 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -9.902 -17.441 12.651 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -10.032 -16.379 13.722 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -10.117 -22.224 15.840 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -10.782 -22.470 16.483 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -10.560 -21.602 15.263 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -4.971 -8.074 16.243 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -5.396 -7.265 15.960 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -4.066 -7.989 15.941 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -0.660 -6.675 19.202 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -0.475 -7.009 20.080 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 0.187 -6.366 18.880 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -7.569 -4.818 16.290 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -8.289 -4.378 15.839 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -7.935 -5.069 17.139 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -5.102 -5.218 15.320 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -5.967 -5.146 15.724 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -5.157 -4.671 14.536 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -8.154 -6.195 13.201 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -8.173 -6.620 14.058 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -7.349 -6.513 12.792 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 1.438 -13.561 28.485 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 1.527 -12.617 28.353 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 0.799 -13.836 27.827 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -7.261 -14.691 33.497 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -7.219 -15.317 34.221 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -6.558 -14.068 33.679 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -6.337 -10.241 32.032 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -6.707 -11.043 31.663 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -5.396 -10.410 32.079 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -9.017 -14.419 29.551 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -8.803 -15.189 30.078 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -8.279 -14.330 28.948 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 1.188 -6.262 30.418 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 1.808 -6.939 30.145 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 0.980 -6.480 31.326 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -1.240 -11.873 32.310 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -0.936 -12.559 31.716 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -0.518 -11.755 32.928 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -4.944 -19.378 29.910 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -4.901 -18.518 29.492 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -5.402 -19.930 29.277 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -3.168 -15.431 29.888 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -2.552 -15.957 30.397 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -3.754 -16.071 29.484 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -6.134 -20.460 33.984 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -6.353 -19.930 33.218 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -6.802 -20.233 34.632 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 1.235 -10.960 27.528 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 0.939 -11.282 26.677 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 0.911 -10.060 27.570 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -3.565 -12.784 34.272 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -4.305 -12.186 34.375 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -2.851 -12.230 33.956 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -6.540 -18.568 31.937 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -5.927 -17.935 32.310 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -6.028 -19.040 31.280 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 0.159 -14.317 25.937 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -0.553 -13.782 25.586 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 0.850 -14.261 25.277 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 0.213 -15.859 22.976 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 0.914 -15.837 23.627 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 0.515 -16.487 22.320 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -3.423 -10.049 31.453 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -3.518 -10.627 30.696 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -2.694 -10.420 31.949 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -4.423 -14.708 32.405 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -3.858 -14.587 31.642 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -4.104 -14.071 33.044 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 0.162 -8.208 28.009 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 0.636 -7.913 28.787 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -0.401 -7.470 27.776 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -9.956 -9.264 32.060 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -9.010 -9.408 32.041 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -10.069 -8.480 32.597 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 2.736 -6.098 23.427 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 3.111 -6.842 22.956 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 2.740 -6.368 24.345 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 2.405 -6.172 26.176 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 1.470 -6.072 26.355 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 2.685 -6.881 26.754 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -4.839 -22.251 32.215 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -5.700 -22.338 31.807 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -4.861 -21.395 32.642 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -0.514 -20.036 22.874 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -0.768 -20.017 23.797 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -0.771 -20.908 22.573 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -4.748 -17.285 33.310 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -5.390 -17.326 34.019 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -4.711 -16.359 33.072 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -4.751 -17.064 28.222 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -5.644 -17.405 28.163 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -4.300 -17.441 27.466 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -3.632 -19.591 21.975 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -4.063 -20.036 22.705 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -4.350 -19.219 21.463 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -2.169 -19.637 29.308 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -3.080 -19.580 29.597 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -1.664 -19.697 30.119 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -3.688 -18.008 25.791 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -2.756 -17.879 25.969 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -3.903 -17.338 25.142 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -5.847 -20.713 27.613 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -6.164 -21.615 27.578 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -5.066 -20.711 27.061 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -6.554 -12.953 31.063 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -5.809 -12.955 30.462 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -6.476 -13.777 31.545 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 0.447 -10.789 24.319 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 0.152 -9.963 24.701 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -0.256 -11.409 24.515 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -2.399 -9.483 21.581 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -2.160 -10.231 21.033 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -2.668 -9.871 22.413 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -0.724 -8.215 24.786 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -1.541 -7.718 24.839 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -0.195 -7.740 24.146 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -1.193 -18.618 26.758 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -0.381 -18.114 26.804 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -1.438 -18.763 27.672 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -0.309 -21.537 27.696 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -0.656 -20.919 28.341 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 0.349 -21.036 27.215 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -7.269 -22.600 31.233 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -7.498 -22.541 30.306 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -7.712 -23.392 31.540 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -0.361 -7.620 21.719 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -1.005 -8.251 22.041 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 0.401 -8.151 21.487 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 0.550 -10.846 21.546 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 0.282 -10.666 22.447 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 0.344 -11.772 21.415 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -3.653 -13.921 24.116 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -4.112 -14.405 24.802 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -3.398 -14.589 23.480 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -2.582 -15.678 22.379 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -2.762 -15.832 21.451 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -1.631 -15.570 22.423 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -10.467 -4.958 27.940 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -11.114 -5.420 27.407 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -10.112 -5.630 28.523 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -9.597 -6.877 29.745 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -9.931 -7.758 29.917 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -9.375 -6.532 30.609 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -9.517 -13.802 32.196 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -9.333 -13.884 31.261 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -8.668 -13.926 32.620 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -10.394 -17.220 32.297 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -9.902 -17.441 31.507 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -10.032 -16.379 32.578 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -10.117 -22.224 34.696 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -10.782 -22.470 35.339 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -10.560 -21.602 34.119 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -8.154 -6.195 32.057 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -8.173 -6.620 32.914 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -7.349 -6.513 31.648 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -6.013 -7.485 30.712 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -6.232 -8.401 30.881 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -5.189 -7.345 31.178 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -3.476 -7.015 31.560 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -3.263 -7.903 31.273 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -3.411 -7.049 32.515 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -3.061 -22.790 28.340 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -2.187 -22.402 28.310 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -3.197 -23.005 29.263 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -1.917 -20.710 25.230 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -1.739 -21.356 25.913 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -1.971 -19.876 25.697 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -0.039 -5.761 23.625 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 0.827 -5.395 23.447 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -0.286 -6.201 22.812 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -0.366 13.604 -11.288 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -0.441 13.483 -12.234 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -0.333 14.554 -11.169 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -6.712 12.393 -9.507 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -6.560 12.045 -8.628 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -7.563 12.037 -9.762 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -9.050 12.809 1.012 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -8.510 12.592 1.771 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -9.531 12.003 0.822 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -10.467 13.898 -9.772 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -11.114 13.436 -10.305 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -10.112 13.226 -9.189 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -9.597 11.979 -7.967 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -9.931 11.098 -7.795 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -9.375 12.324 -7.103 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -7.569 14.038 -2.566 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -8.289 14.478 -3.017 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -7.935 13.787 -1.717 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -5.102 13.638 -3.536 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -5.967 13.710 -3.132 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -5.157 14.185 -4.320 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -0.391 13.526 -4.360 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -0.848 14.055 -5.014 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -0.228 14.129 -3.635 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -8.154 12.661 -5.655 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -8.173 12.236 -4.798 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -7.349 12.343 -6.064 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -6.013 11.371 -7.000 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -6.232 10.455 -6.831 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -5.189 11.511 -6.534 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -3.476 11.841 -6.152 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -3.263 10.953 -6.439 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -3.411 11.807 -5.197 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 0.371 4.550 13.048 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 0.333 3.904 13.753 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 0.048 4.084 12.277 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -9.727 2.275 8.569 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -10.175 3.121 8.551 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -10.288 1.695 8.054 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 1.188 12.594 11.562 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 1.808 11.917 11.289 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 0.980 12.376 12.470 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -4.944 -0.522 11.054 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -4.901 0.338 10.636 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -5.402 -1.074 10.421 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -8.324 1.875 11.816 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -7.670 1.325 12.248 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -8.300 1.601 10.900 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -3.168 3.425 11.032 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -2.552 2.899 11.541 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -3.754 2.785 10.628 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -6.134 -1.604 15.128 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -6.353 -1.074 14.362 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -6.802 -1.377 15.776 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -6.540 0.288 13.081 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -5.927 0.921 13.454 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -6.028 -0.184 12.424 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -9.036 7.707 6.985 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -9.308 7.936 6.096 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -8.991 8.545 7.445 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -4.790 5.379 9.916 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -5.120 5.009 9.097 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -4.202 4.709 10.262 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 1.886 9.651 14.283 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 1.645 10.313 14.931 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 1.688 8.817 14.708 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 0.162 10.648 9.153 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 0.636 10.943 9.931 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -0.401 11.386 8.920 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -5.304 10.619 19.030 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -5.296 10.483 18.082 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -6.220 10.501 19.282 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -5.800 4.449 7.505 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -6.092 5.217 7.014 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -6.474 3.789 7.342 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -0.780 9.832 17.762 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -0.693 10.658 18.237 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -1.644 9.502 18.011 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -6.712 12.393 9.349 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -6.560 12.045 10.228 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -7.563 12.037 9.094 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -4.839 -3.395 13.359 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -5.700 -3.482 12.951 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -4.861 -2.539 13.786 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -0.176 -3.673 16.733 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 0.244 -4.088 17.486 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -1.109 -3.851 16.850 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -4.748 1.571 14.454 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -5.390 1.530 15.163 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -4.711 2.497 14.216 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -4.751 1.792 9.366 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -5.644 1.451 9.307 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -4.300 1.415 8.610 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -0.113 2.383 19.671 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -0.676 1.679 19.991 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 0.713 2.263 20.138 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -10.390 -0.993 10.171 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -9.759 -1.022 10.891 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -9.940 -1.418 9.441 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -9.115 -0.247 5.595 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -8.641 0.344 5.010 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -9.833 0.284 5.942 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 1.053 3.292 15.668 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 1.377 2.661 15.025 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 0.613 2.757 16.329 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -7.341 0.848 9.279 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -8.230 0.948 8.939 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -7.045 0.006 8.933 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -0.849 2.007 12.339 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -0.285 1.460 11.792 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -0.997 1.485 13.128 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -2.223 0.395 14.753 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -3.058 0.849 14.863 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -1.699 0.671 15.505 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -0.159 6.792 17.675 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -0.505 6.411 18.481 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -0.359 7.726 17.746 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 2.091 9.254 17.625 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 1.190 9.437 17.357 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 2.125 9.513 18.546 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 3.278 5.093 13.479 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 2.350 4.861 13.452 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 3.729 4.316 13.149 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -4.179 9.421 9.612 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -3.652 10.194 9.411 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -5.059 9.646 9.310 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -2.752 7.084 9.188 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -2.993 8.009 9.230 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -3.492 6.625 9.584 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -4.068 12.106 8.733 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -5.018 12.211 8.785 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -3.717 12.926 9.078 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 1.307 7.332 15.204 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 0.881 7.105 16.030 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 1.888 6.594 15.021 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -7.009 6.196 5.691 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -7.695 6.548 6.258 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -6.486 6.959 5.445 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -0.657 1.224 17.087 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -0.538 1.798 17.844 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -0.002 0.536 17.202 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -7.269 -3.744 12.377 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -7.498 -3.685 11.450 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -7.712 -4.536 12.684 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -4.453 11.728 21.488 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -3.685 11.269 21.829 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -4.474 11.502 20.558 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 2.124 10.108 20.217 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 1.773 9.252 20.460 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 2.850 10.251 20.824 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 3.247 6.505 17.638 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 3.992 7.093 17.518 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 2.490 7.087 17.701 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 0.656 5.299 20.894 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 1.609 5.383 20.866 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 0.496 4.588 21.513 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -3.612 -1.447 16.191 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -3.076 -0.996 15.539 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -4.464 -1.555 15.769 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 2.386 1.807 21.459 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 2.578 0.876 21.348 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 3.243 2.232 21.449 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -2.806 -3.991 16.623 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -2.904 -3.044 16.517 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -3.549 -4.363 16.147 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -1.542 0.331 20.186 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -1.778 0.111 21.088 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -2.325 0.124 19.677 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 1.174 -0.542 19.262 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 0.226 -0.510 19.394 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 1.486 -1.167 19.916 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 2.808 -1.908 21.267 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 2.711 -2.860 21.261 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 2.486 -1.639 22.128 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -2.584 -4.697 19.294 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -1.872 -5.337 19.280 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -2.685 -4.430 18.380 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -2.684 13.869 4.524 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -1.751 14.027 4.668 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -2.948 14.544 3.899 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -9.116 8.505 4.007 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -8.202 8.584 4.280 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -9.109 7.818 3.340 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -8.698 -1.363 12.372 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -8.253 -2.155 12.674 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -8.232 -0.647 12.803 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -10.081 -2.106 7.496 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -11.006 -1.897 7.366 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -9.627 -1.622 6.806 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -10.117 -3.368 15.840 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -10.782 -3.614 16.483 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -10.560 -2.746 15.263 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -7.925 9.807 19.984 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -8.746 9.982 19.524 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -8.177 9.734 20.905 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -0.660 12.181 19.202 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -0.475 11.847 20.080 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 0.187 12.490 18.880 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -7.569 14.038 16.290 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -8.289 14.478 15.839 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -7.935 13.787 17.139 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -5.102 13.638 15.320 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -5.967 13.710 15.724 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -5.157 14.185 14.536 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -0.391 13.526 14.496 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -0.848 14.055 13.842 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -0.228 14.129 15.221 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 1.936 12.404 15.441 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 1.032 12.569 15.175 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 2.365 13.257 15.375 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -3.476 11.841 12.704 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -3.263 10.953 12.417 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -3.411 11.807 13.659 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -8.903 11.885 6.372 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -9.588 11.847 5.704 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -8.900 12.798 6.660 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -7.085 12.805 3.397 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -7.353 13.092 4.270 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -6.314 12.259 3.549 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 1.438 5.295 28.485 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 1.527 6.239 28.353 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 0.799 5.020 27.827 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 0.371 4.550 31.904 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 0.333 3.904 32.609 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 0.048 4.084 31.133 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -9.727 2.275 27.425 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -10.175 3.121 27.407 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -10.288 1.695 26.910 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -9.017 4.437 29.551 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -8.803 3.667 30.078 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -8.279 4.526 28.948 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -1.240 6.983 32.310 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -0.936 6.297 31.716 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -0.518 7.101 32.928 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -4.944 -0.522 29.910 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -4.901 0.338 29.492 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -5.402 -1.074 29.277 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 2.778 -0.391 28.311 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 3.424 -0.720 28.936 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 3.288 0.127 27.688 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -8.324 1.875 30.672 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -7.670 1.325 31.104 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -8.300 1.601 29.756 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -3.168 3.425 29.888 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -2.552 2.899 30.397 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -3.754 2.785 29.484 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 1.235 7.896 27.528 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 0.939 7.574 26.677 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 0.911 8.796 27.570 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -6.540 0.288 31.937 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -5.927 0.921 32.310 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -6.028 -0.184 31.280 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -9.036 7.707 25.841 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -9.308 7.936 24.952 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -8.991 8.545 26.301 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -2.108 -4.298 31.437 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -2.225 -5.247 31.383 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -2.963 -3.966 31.710 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 3.565 4.749 26.889 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 2.833 4.977 27.462 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 4.012 4.035 27.344 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -3.423 8.807 31.453 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -3.518 8.229 30.696 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -2.694 8.436 31.949 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -4.423 4.148 32.405 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -3.858 4.269 31.642 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -4.104 4.785 33.044 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 2.436 3.911 24.574 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 3.015 4.061 25.321 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 2.850 4.382 23.851 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -4.839 -3.395 32.215 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -5.700 -3.482 31.807 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -4.861 -2.539 32.642 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 3.913 4.944 22.204 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 3.955 4.721 21.274 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 4.762 5.342 22.394 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -0.514 -1.180 22.874 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -0.768 -1.161 23.797 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -0.771 -2.052 22.573 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -4.748 1.571 33.310 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -5.390 1.530 34.019 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -4.711 2.497 33.072 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 0.785 2.208 27.039 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 0.376 3.023 26.747 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 1.505 2.068 26.424 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 1.789 1.654 29.853 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 1.594 2.259 29.138 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 1.971 0.820 29.418 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -10.390 -0.993 29.027 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -9.759 -1.022 29.747 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -9.940 -1.418 28.297 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -2.169 -0.781 29.308 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -3.080 -0.724 29.597 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -1.664 -0.841 30.119 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -7.341 0.848 28.135 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -8.230 0.948 27.795 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -7.045 0.006 27.789 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -0.849 2.007 31.195 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -0.285 1.460 30.648 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -0.997 1.485 31.984 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 2.219 -0.578 23.493 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 1.281 -0.466 23.342 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 2.516 0.279 23.799 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 2.937 1.289 25.154 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 3.829 1.152 25.473 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 2.994 2.080 24.617 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -6.554 5.903 31.063 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -5.809 5.901 30.462 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -6.476 5.079 31.545 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 0.447 8.067 24.319 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 0.152 8.893 24.701 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -0.256 7.447 24.515 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -4.179 9.421 28.468 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -3.652 10.194 28.267 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -5.059 9.646 28.166 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -2.752 7.084 28.044 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -2.993 8.009 28.086 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -3.492 6.625 28.440 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -2.399 9.373 21.581 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -2.160 8.625 21.033 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -2.668 8.985 22.413 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -3.462 8.943 24.037 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -3.315 8.423 24.827 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -3.465 9.850 24.343 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 1.607 -1.490 25.923 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 1.827 -1.018 25.120 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 2.165 -1.095 26.594 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -0.724 10.641 24.786 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -1.541 11.138 24.839 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -0.195 11.116 24.146 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -0.309 -2.681 27.696 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -0.656 -2.063 28.341 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 0.349 -2.180 27.215 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -3.386 11.684 24.768 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -3.225 12.484 24.267 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -3.583 11.991 25.653 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -6.393 8.810 23.444 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -5.801 9.509 23.720 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -5.934 8.377 22.725 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -7.269 -3.744 31.233 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -7.498 -3.685 30.306 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -7.712 -4.536 31.540 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -8.339 10.196 27.394 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -9.171 10.669 27.421 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -7.793 10.706 26.795 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -0.361 11.236 21.719 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -1.005 10.605 22.041 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 0.401 10.705 21.487 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 0.550 8.010 21.546 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 0.282 8.190 22.447 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 0.344 7.084 21.415 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -9.116 8.505 22.863 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -8.202 8.584 23.136 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -9.109 7.818 22.196 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -8.698 -1.363 31.228 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -8.253 -2.155 31.530 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -8.232 -0.647 31.659 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 0.033 -2.495 30.705 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -0.642 -3.124 30.960 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 0.597 -2.979 30.102 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -7.641 -3.861 28.527 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -8.418 -4.095 28.019 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -7.110 -4.658 28.535 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 2.496 -3.904 29.989 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 2.572 -3.809 29.040 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 2.220 -4.812 30.118 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 3.849 -3.878 25.682 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 3.146 -3.264 25.472 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 3.404 -4.716 25.813 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -8.903 11.885 25.228 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -9.588 11.847 24.560 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -8.900 12.798 25.516 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -7.085 12.805 22.253 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -7.353 13.092 23.126 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -6.314 12.259 22.405 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -0.113 21.239 -18.041 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -0.676 20.535 -17.721 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 0.713 21.119 -17.574 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -6.879 25.456 -18.111 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -6.146 25.710 -17.550 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -7.659 25.660 -17.596 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -2.529 22.737 -17.977 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -2.825 22.571 -18.872 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -1.598 22.517 -17.987 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -9.050 31.665 -17.844 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -8.510 31.448 -17.085 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -9.531 30.859 -18.034 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -4.453 30.584 -16.224 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -3.685 30.125 -15.883 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -4.474 30.358 -17.154 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -9.143 25.475 -16.890 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -8.999 24.573 -17.176 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -9.916 25.761 -17.378 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -2.488 25.445 -17.457 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -2.816 25.716 -18.315 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -2.336 24.504 -17.545 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -8.311 22.675 -17.470 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -7.903 21.818 -17.591 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -8.571 22.690 -16.549 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 0.656 24.155 -16.818 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 1.609 24.239 -16.846 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 0.496 23.444 -16.199 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 2.386 20.663 -16.253 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 2.578 19.732 -16.364 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 3.243 21.088 -16.263 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -5.546 20.237 -17.102 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -6.313 19.705 -17.312 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -4.867 19.927 -17.701 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -1.542 19.187 -17.526 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -1.778 18.967 -16.624 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -2.325 18.980 -18.035 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -2.231 15.842 -16.364 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -2.362 15.366 -17.185 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -2.830 16.586 -16.420 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -7.925 28.663 -17.728 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -8.746 28.838 -18.188 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -8.177 28.590 -16.807 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 0.371 23.406 -5.808 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 0.333 22.760 -5.103 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 0.048 22.940 -6.579 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 4.077 26.345 -7.506 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 3.636 25.625 -7.056 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 4.064 27.066 -6.876 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 1.188 31.450 -7.294 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 1.808 30.773 -7.567 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 0.980 31.232 -6.386 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 1.901 20.233 -5.074 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 2.044 19.286 -5.054 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 1.795 20.440 -6.003 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 2.778 18.465 -9.401 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 3.424 18.136 -8.776 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 3.288 18.983 -10.024 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 1.235 26.752 -10.184 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 0.939 26.430 -11.035 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 0.911 27.652 -10.142 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 4.589 28.185 -5.158 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 3.647 28.243 -4.997 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 4.865 29.091 -5.295 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -2.108 14.558 -6.275 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -2.225 13.609 -6.329 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -2.963 14.890 -6.002 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 2.841 29.966 -8.533 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 3.266 29.259 -9.018 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 3.158 30.767 -8.950 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 4.000 27.867 -10.024 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 3.743 27.177 -10.636 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 4.071 27.424 -9.179 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 0.213 21.853 -14.736 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 0.914 21.875 -14.085 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 0.515 21.225 -15.392 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 3.565 23.605 -10.823 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 2.833 23.833 -10.250 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 4.012 22.891 -10.368 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 3.462 21.779 -1.755 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 3.542 22.542 -1.183 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 2.861 22.058 -2.446 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 1.886 28.507 -4.573 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 1.645 29.169 -3.925 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 1.688 27.673 -4.148 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 2.436 22.767 -13.138 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 3.015 22.917 -12.391 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 2.850 23.238 -13.861 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 0.162 29.504 -9.703 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 0.636 29.799 -8.925 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -0.401 30.242 -9.936 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -0.366 32.460 -11.288 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -0.441 32.339 -12.234 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -0.333 33.410 -11.169 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 5.393 20.607 0.510 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 4.986 21.088 -0.210 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 5.434 19.702 0.203 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -0.176 15.183 -2.123 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 0.244 14.768 -1.370 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -1.109 15.005 -2.006 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 3.150 18.939 -1.269 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 2.636 18.813 -0.472 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 2.995 19.851 -1.514 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 3.913 23.800 -15.508 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 3.955 23.577 -16.438 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 4.762 24.198 -15.318 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -0.514 17.676 -14.838 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -0.768 17.695 -13.915 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -0.771 16.804 -15.139 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 1.789 20.510 -7.859 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 1.594 21.115 -8.574 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 1.971 19.676 -8.294 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -3.632 18.121 -15.737 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -4.063 17.676 -15.007 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -4.350 18.493 -16.249 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -10.390 17.863 -8.685 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -9.759 17.834 -7.965 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -9.940 17.438 -9.415 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -9.115 18.609 -13.261 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -8.641 19.200 -13.846 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -9.833 19.140 -12.914 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 2.236 17.310 -5.140 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 1.559 17.441 -4.476 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 1.750 17.155 -5.950 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -5.014 20.899 -14.354 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -5.556 20.519 -15.045 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -4.180 21.093 -14.783 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 5.523 32.982 1.137 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 5.723 33.406 0.302 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 6.179 33.325 1.744 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -5.847 16.999 -10.099 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -6.164 16.097 -10.134 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -5.066 17.001 -10.651 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 2.219 18.278 -14.219 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 1.281 18.390 -14.370 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 2.516 19.135 -13.913 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 2.937 20.145 -12.558 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 3.829 20.008 -12.239 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 2.994 20.936 -13.095 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 0.447 26.923 -13.393 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 0.152 27.749 -13.011 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -0.256 26.303 -13.197 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 2.091 28.110 -1.231 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 1.190 28.293 -1.499 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 2.125 28.369 -0.310 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 3.278 23.949 -5.377 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 2.350 23.717 -5.404 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 3.729 23.172 -5.707 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -8.424 23.139 -14.657 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -7.808 23.766 -14.278 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -9.286 23.455 -14.386 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -4.068 30.962 -10.123 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -5.018 31.067 -10.071 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -3.717 31.782 -9.778 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 1.307 26.188 -3.652 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 0.881 25.961 -2.826 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 1.888 25.450 -3.835 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 3.510 27.117 -14.578 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 3.863 26.737 -13.774 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 2.561 27.024 -14.492 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 3.966 30.740 -1.183 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 3.364 30.185 -1.678 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 4.247 31.407 -1.809 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 4.376 25.790 -12.352 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 4.099 25.062 -11.796 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 5.303 25.909 -12.146 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -2.399 28.229 -16.131 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -2.160 27.481 -16.679 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -2.668 27.841 -15.299 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -3.462 27.799 -13.675 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -3.315 27.279 -12.885 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -3.465 28.706 -13.369 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 0.823 17.714 -2.886 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 1.521 17.788 -2.236 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 0.442 16.850 -2.731 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 1.607 17.366 -11.789 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 1.827 17.838 -12.592 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 2.165 17.761 -11.118 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -0.724 29.497 -12.926 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -1.541 29.994 -12.873 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -0.195 29.972 -13.566 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -0.309 16.175 -10.016 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -0.656 16.793 -9.371 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 0.349 16.676 -10.497 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -3.386 30.540 -12.944 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -3.225 31.340 -13.445 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -3.583 30.847 -12.059 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -4.652 17.238 -13.328 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -4.735 18.127 -12.982 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -3.762 16.973 -13.097 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 4.149 21.738 -6.838 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 3.352 21.323 -7.167 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 4.594 21.047 -6.347 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -8.077 20.330 -15.152 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -8.122 21.269 -14.973 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -8.965 20.094 -15.422 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 5.236 30.994 -5.216 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 5.080 31.672 -5.873 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 6.168 31.066 -5.013 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 2.124 28.964 1.361 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 1.773 28.108 1.604 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 2.850 29.107 1.968 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -4.802 25.819 -15.902 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -4.738 25.025 -15.371 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -4.149 25.700 -16.591 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 0.550 26.866 -16.166 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 0.282 27.046 -15.265 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 0.344 25.940 -16.297 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 3.247 25.361 -1.218 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 3.992 25.949 -1.338 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 2.490 25.943 -1.155 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -2.582 22.034 -15.333 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -2.762 21.880 -16.261 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -1.631 22.142 -15.289 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 2.386 20.663 2.603 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 2.578 19.732 2.492 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 3.243 21.088 2.593 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 3.702 23.452 0.681 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 3.421 24.161 0.103 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 4.645 23.379 0.530 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -2.806 14.865 -2.233 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -2.904 15.812 -2.339 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -3.549 14.493 -2.709 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -1.542 19.187 1.330 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -1.778 18.967 2.232 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -2.325 18.980 0.821 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 1.174 18.314 0.406 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 0.226 18.346 0.538 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 1.486 17.689 1.060 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -2.584 14.159 0.438 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -1.872 13.519 0.424 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -2.685 14.426 -0.476 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -2.231 15.842 2.492 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -2.362 15.366 1.671 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -2.830 16.586 2.436 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 5.966 27.001 2.573 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 5.100 26.896 2.967 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 6.342 27.760 3.020 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 5.907 28.974 -2.834 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 5.259 29.299 -2.209 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 5.389 28.534 -3.509 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 5.448 21.832 -9.526 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 5.298 20.887 -9.546 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 5.094 22.113 -8.682 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 5.158 19.415 -11.064 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 5.438 18.508 -10.939 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 5.917 19.849 -11.453 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 5.799 20.733 -2.852 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 4.956 21.001 -2.486 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 6.242 21.555 -3.063 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -10.081 16.750 -11.360 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -11.006 16.959 -11.490 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -9.627 17.234 -12.050 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -10.117 15.488 -3.016 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -10.782 15.242 -2.373 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -10.560 16.110 -3.593 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 4.541 32.830 -3.120 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 4.359 33.746 -3.331 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 4.717 32.420 -3.967 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 0.033 16.361 -7.007 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -0.642 15.732 -6.752 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 0.597 15.877 -7.610 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -7.641 14.995 -9.185 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -8.418 14.761 -9.693 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -7.110 14.198 -9.177 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -3.061 14.922 -9.372 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -2.187 15.310 -9.402 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -3.197 14.707 -8.449 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -6.943 16.709 -14.939 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -6.452 16.079 -15.467 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -6.320 17.005 -14.276 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -1.917 17.002 -12.482 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -1.739 16.356 -11.799 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -1.971 17.836 -12.015 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -7.683 15.509 0.332 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -8.049 14.744 0.775 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 -6.770 15.538 0.619 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -5.710 14.860 1.868 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -4.811 14.586 1.683 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -6.096 14.117 2.332 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 -7.085 31.661 -15.459 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 -7.353 31.948 -14.586 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 -6.314 31.115 -15.307 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 5.888 30.265 0.743 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 5.106 30.079 0.223 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 5.816 31.194 0.960 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 1.438 24.151 9.629 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 1.527 25.095 9.497 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 0.799 23.876 8.971 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -6.337 27.471 13.176 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -6.707 26.669 12.807 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -5.396 27.302 13.223 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -9.017 23.293 10.695 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -8.803 22.523 11.222 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -8.279 23.382 10.092 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -4.944 18.334 11.054 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -4.901 19.194 10.636 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -5.402 17.782 10.421 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -3.168 22.281 11.032 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -2.552 21.755 11.541 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -3.754 21.641 10.628 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -6.134 17.252 15.128 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -6.353 17.782 14.362 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -6.802 17.479 15.776 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 1.235 26.752 8.672 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 0.939 26.430 7.821 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 0.911 27.652 8.714 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -3.565 24.928 15.416 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -4.305 25.526 15.519 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -2.851 25.482 15.100 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -5.157 26.892 16.203 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -5.163 27.771 15.825 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -6.011 26.809 16.628 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -2.108 14.558 12.581 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -2.225 13.609 12.527 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -2.963 14.890 12.854 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 4.000 27.867 8.832 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 3.743 27.177 8.220 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 4.071 27.424 9.677 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 0.159 23.395 7.081 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -0.553 23.930 6.730 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 0.850 23.451 6.421 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 0.213 21.853 4.120 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 0.914 21.875 4.771 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 0.515 21.225 3.464 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 3.565 23.605 8.033 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 2.833 23.833 8.606 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 4.012 22.891 8.488 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -4.790 24.235 9.916 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -5.120 23.865 9.097 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -4.202 23.565 10.262 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -3.423 27.663 12.597 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -3.518 27.085 11.840 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -2.694 27.292 13.093 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -4.423 23.004 13.549 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -3.858 23.125 12.786 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -4.104 23.641 14.188 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 2.436 22.767 5.718 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 3.015 22.917 6.465 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 2.850 23.238 4.995 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 0.162 29.504 9.153 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 0.636 29.799 9.931 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -0.401 30.242 8.920 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -9.707 25.668 16.320 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -10.208 25.640 15.505 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -9.701 24.762 16.630 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -9.956 28.448 13.204 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -9.010 28.304 13.185 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -10.069 29.232 13.741 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -0.366 32.460 7.568 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -0.441 32.339 6.622 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -0.333 33.410 7.687 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 2.736 31.614 4.571 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 3.111 30.870 4.100 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 2.740 31.344 5.489 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 2.405 31.540 7.320 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 1.470 31.640 7.499 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 2.685 30.831 7.898 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -7.458 26.991 17.363 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -7.241 26.630 18.223 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -8.313 26.617 17.153 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -4.839 15.461 13.359 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -5.700 15.374 12.951 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 -4.861 16.317 13.786 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 3.913 23.800 3.348 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 3.955 23.577 2.418 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 4.762 24.198 3.538 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -0.514 17.676 4.018 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -0.768 17.695 4.941 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -0.771 16.804 3.717 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -4.748 20.427 14.454 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -5.390 20.386 15.163 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -4.711 21.353 14.216 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -4.751 20.648 9.366 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -5.644 20.307 9.307 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -4.300 20.271 8.610 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 0.785 21.064 8.183 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 0.376 21.879 7.891 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 1.505 20.924 7.568 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -3.632 18.121 3.119 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -4.063 17.676 3.849 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -4.350 18.493 2.607 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -2.169 18.075 10.452 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -3.080 18.132 10.741 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -1.664 18.015 11.263 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -3.688 19.704 6.935 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -2.756 19.833 7.113 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -3.903 20.374 6.286 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -5.014 20.899 4.502 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -5.556 20.519 3.811 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -4.180 21.093 4.073 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -6.879 25.456 19.601 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -6.146 25.710 20.162 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -7.659 25.660 20.116 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -2.223 19.251 14.753 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -3.058 19.705 14.863 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -1.699 19.527 15.505 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 2.937 20.145 6.298 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 3.829 20.008 6.617 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 2.994 20.936 5.761 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -6.554 24.759 12.207 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -5.809 24.757 11.606 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -6.476 23.935 12.689 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -2.529 22.737 19.735 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -2.825 22.571 18.840 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -1.598 22.517 19.725 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -4.179 28.277 9.612 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -3.652 29.050 9.411 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -5.059 28.502 9.310 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -2.752 25.940 9.188 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -2.993 26.865 9.230 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -3.492 25.481 9.584 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 3.510 27.117 4.278 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 3.863 26.737 5.082 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 2.561 27.024 4.364 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 4.376 25.790 6.504 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 4.099 25.062 7.060 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 5.303 25.909 6.710 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -8.261 29.778 15.515 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -8.044 28.846 15.484 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -8.014 30.052 16.399 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 -1.193 19.094 7.902 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 -0.381 19.598 7.948 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 -1.438 18.949 8.816 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 -4.652 17.238 5.528 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 -4.735 18.127 5.874 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 -3.762 16.973 5.759 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -7.269 15.112 12.377 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -7.498 15.171 11.450 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -7.712 14.320 12.684 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 4.243 29.909 3.097 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 4.526 29.115 3.550 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 4.983 30.142 2.536 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -9.143 25.475 20.822 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -8.999 24.573 20.536 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -9.916 25.761 20.334 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -4.364 21.684 17.616 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -4.982 22.359 17.897 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -4.020 22.005 16.783 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -4.024 19.039 18.699 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -3.874 18.310 18.096 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -4.022 19.816 18.140 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -3.612 17.409 16.191 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -3.076 17.860 15.539 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -4.464 17.301 15.769 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -2.030 22.848 16.431 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 -1.279 22.692 15.858 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 -2.369 23.700 16.155 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 -5.546 20.237 20.610 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 -6.313 19.705 20.400 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 -4.867 19.927 20.011 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -2.806 14.865 16.623 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -2.904 15.812 16.517 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -3.549 14.493 16.147 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -7.365 18.158 20.315 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -7.154 17.451 19.704 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -7.477 17.720 21.159 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -2.584 14.159 19.294 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -1.872 13.519 19.280 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -2.685 14.426 18.380 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -7.925 28.663 19.984 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -8.746 28.838 19.524 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -8.177 28.590 20.905 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -8.154 31.517 13.201 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -8.173 31.092 14.058 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -7.349 31.199 12.792 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -6.013 30.227 11.856 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -6.232 29.311 12.025 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -5.189 30.367 12.322 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 -3.476 30.697 12.704 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 -3.263 29.809 12.417 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 -3.411 30.663 13.659 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 -3.061 14.922 9.484 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 -2.187 15.310 9.454 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -3.197 14.707 10.407 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 -1.917 17.002 6.374 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 -1.739 16.356 7.057 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 -1.971 17.836 6.841 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 -7.683 15.509 19.188 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 -8.049 14.744 19.631 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 -6.770 15.538 19.475 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 -5.710 14.860 20.724 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 -4.811 14.586 20.539 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 -6.096 14.117 21.188 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 -9.115 18.609 24.451 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 -8.641 19.200 23.866 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 -9.833 19.140 24.798 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 -5.014 20.899 23.358 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 -5.556 20.519 22.667 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 -4.180 21.093 22.929 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 -8.424 23.139 23.055 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 -7.808 23.766 23.434 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 -9.286 23.455 23.326 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 -8.077 20.330 22.560 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 -8.122 21.269 22.739 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 -8.965 20.094 22.290 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 -4.802 25.819 21.810 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 -4.738 25.025 22.341 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 -4.149 25.700 21.121 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 -8.804 14.793 24.330 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 -8.365 15.404 23.739 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 -9.438 15.331 24.804 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 -6.943 16.709 22.773 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 -6.452 16.079 22.245 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 -6.320 17.005 23.436 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 1.438 43.007 -9.227 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 1.527 43.951 -9.359 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 0.799 42.732 -9.885 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 -1.240 44.695 -5.402 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 -0.936 44.009 -5.996 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 -0.518 44.813 -4.784 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 2.778 37.321 -9.401 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 3.424 36.992 -8.776 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 3.288 37.839 -10.024 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 4.542 36.612 -7.420 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 4.327 35.846 -6.888 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 5.198 37.084 -6.907 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -9.036 45.419 -11.871 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -9.308 45.648 -12.760 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -8.991 46.257 -11.411 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 4.889 35.327 -3.741 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 4.153 35.938 -3.779 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 5.573 35.742 -4.267 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 3.462 40.635 -1.755 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 3.542 41.398 -1.183 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 2.861 40.914 -2.446 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 -3.423 46.519 -6.259 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 -3.518 45.941 -7.016 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 -2.694 46.148 -5.763 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 -3.543 46.259 -0.590 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 -3.855 47.041 -0.134 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 -4.193 46.106 -1.276 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 -5.304 48.331 0.174 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 -5.296 48.195 -0.774 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 -6.220 48.213 0.426 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 -5.800 42.161 -11.351 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -6.092 42.929 -11.842 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 -6.474 41.501 -11.514 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -0.780 47.544 -1.094 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -0.693 48.370 -0.619 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -1.644 47.214 -0.845 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 -6.712 50.105 -9.507 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 -6.560 49.757 -8.628 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 -7.563 49.749 -9.762 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 5.393 39.463 0.510 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 4.986 39.944 -0.210 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 5.434 38.558 0.203 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 3.150 37.795 -1.269 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 2.636 37.669 -0.472 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 2.995 38.707 -1.514 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 -4.751 39.504 -9.490 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 -5.644 39.163 -9.549 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 -4.300 39.127 -10.246 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 0.785 39.920 -10.673 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 0.376 40.735 -10.965 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 1.505 39.780 -11.288 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 -0.113 40.095 0.815 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 -0.676 39.391 1.135 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 0.713 39.975 1.282 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 1.789 39.366 -7.859 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 1.594 39.971 -8.574 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 1.971 38.532 -8.294 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 -9.115 37.465 -13.261 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 -8.641 38.056 -13.846 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 -9.833 37.996 -12.914 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -2.169 36.931 -8.404 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -3.080 36.988 -8.115 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -1.664 36.871 -7.593 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 -3.688 38.560 -11.921 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 -2.756 38.689 -11.743 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 -3.903 39.230 -12.570 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 2.236 36.166 -5.140 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 1.559 36.297 -4.476 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 1.750 36.011 -5.950 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 -5.014 39.755 -14.354 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 -5.556 39.375 -15.045 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 -4.180 39.949 -14.783 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -1.679 44.320 -12.418 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -2.423 43.813 -12.741 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 -1.813 44.369 -11.472 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 5.471 43.453 -3.632 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 6.113 43.910 -4.175 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 4.641 43.566 -4.094 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 -0.159 44.504 -1.181 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 -0.505 44.123 -0.375 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 -0.359 45.438 -1.110 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 2.091 46.966 -1.231 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 1.190 47.149 -1.499 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 2.125 47.225 -0.310 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 3.278 42.805 -5.377 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 2.350 42.573 -5.404 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 3.729 42.028 -5.707 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 -4.179 47.133 -9.244 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 -3.652 47.906 -9.445 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 -5.059 47.358 -9.546 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 -8.424 41.995 -14.657 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 -7.808 42.622 -14.278 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 -9.286 42.311 -14.386 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 -2.752 44.796 -9.668 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 -2.993 45.721 -9.626 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 -3.492 44.337 -9.272 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 -2.237 48.945 -3.353 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 -1.874 49.800 -3.586 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 -1.705 48.653 -2.612 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 -4.068 49.818 -10.123 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 -5.018 49.923 -10.071 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 -3.717 50.638 -9.778 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 1.307 45.044 -3.652 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 0.881 44.817 -2.826 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 1.888 44.306 -3.835 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 -8.261 48.634 -3.341 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 -8.044 47.702 -3.372 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 -8.014 48.908 -2.457 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 -7.009 43.908 -13.165 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 -7.695 44.260 -12.598 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 -6.486 44.671 -13.411 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 0.823 36.570 -2.886 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 1.521 36.644 -2.236 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 0.442 35.706 -2.731 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 -1.193 37.950 -10.954 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 -0.381 38.454 -10.908 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 -1.438 37.805 -10.040 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 -0.309 35.031 -10.016 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 -0.656 35.649 -9.371 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 0.349 35.532 -10.497 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 -4.652 36.094 -13.328 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 -4.735 36.983 -12.982 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 -3.762 35.829 -13.097 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 5.547 36.843 -0.934 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 4.631 37.106 -1.022 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 5.883 36.840 -1.831 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 4.149 40.594 -6.838 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 3.352 40.179 -7.167 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 4.594 39.903 -6.347 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 -6.393 46.522 -14.268 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 -5.801 47.221 -13.992 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 -5.934 46.089 -14.987 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 -8.077 39.186 -15.152 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 -8.122 40.125 -14.973 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 -8.965 38.950 -15.422 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 -8.339 47.908 -10.318 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 -9.171 48.381 -10.291 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 -7.793 48.418 -10.917 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 -9.050 50.521 1.012 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 -8.510 50.304 1.771 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 -9.531 49.715 0.822 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 -2.488 44.301 1.399 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 -2.816 44.572 0.541 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 -2.336 43.360 1.311 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 3.247 44.217 -1.218 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 3.992 44.805 -1.338 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 2.490 44.799 -1.155 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 -3.653 42.647 -13.596 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 -4.112 42.163 -12.910 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 -3.398 41.979 -14.232 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 0.656 43.011 2.038 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 1.609 43.095 2.010 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 0.496 42.300 2.657 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 2.386 39.519 2.603 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 2.578 38.588 2.492 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 3.243 39.944 2.593 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 3.702 42.308 0.681 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 3.421 43.017 0.103 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 4.645 42.235 0.530 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 2.808 35.804 2.411 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 2.711 34.852 2.405 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 2.486 36.073 3.272 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 -9.116 46.217 -14.849 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 -8.202 46.296 -14.576 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 -9.109 45.530 -15.516 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 -9.597 49.691 -7.967 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 -9.931 48.810 -7.795 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 -9.375 50.036 -7.103 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 5.770 38.852 -5.628 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 6.703 39.064 -5.662 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 5.535 38.954 -4.705 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 5.799 39.589 -2.852 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 4.956 39.857 -2.486 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 6.242 40.411 -3.063 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 -7.925 47.519 1.128 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 -8.746 47.694 0.668 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 -8.177 47.446 2.049 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 -4.971 48.494 -2.613 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 -5.396 49.303 -2.896 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 -4.066 48.579 -2.915 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 6.603 33.768 -1.330 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 5.790 34.093 -1.718 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 6.836 33.008 -1.863 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 -8.154 50.373 -5.655 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 -8.173 49.948 -4.798 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 -7.349 50.055 -6.064 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 -6.013 49.083 -7.000 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 -6.232 48.167 -6.831 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 -5.189 49.223 -6.534 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 -3.476 49.553 -6.152 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 -3.263 48.665 -6.439 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 -3.411 49.519 -5.197 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 0.033 35.217 -7.007 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 -0.642 34.588 -6.752 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 0.597 34.733 -7.610 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 5.175 33.324 -6.895 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 5.779 33.872 -7.396 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 4.306 33.644 -7.135 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 -8.804 33.649 -13.382 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 -8.365 34.260 -13.973 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 -9.438 34.187 -12.908 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 -3.061 33.778 -9.372 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 -2.187 34.166 -9.402 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 -3.197 33.563 -8.449 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 2.496 33.808 -7.723 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 2.572 33.903 -8.672 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 2.220 32.900 -7.594 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 -8.903 49.597 -12.484 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 -9.588 49.559 -13.152 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 -8.900 50.510 -12.196 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 -6.943 35.565 -14.939 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 -6.452 34.935 -15.467 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 -6.320 35.861 -14.276 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 -1.917 35.858 -12.482 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 -1.739 35.212 -11.799 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 -1.971 36.692 -12.015 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 2.712 33.048 2.050 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 2.788 32.622 2.904 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 3.605 33.062 1.708 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 1.438 43.007 9.629 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 1.527 43.951 9.497 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 0.799 42.732 8.971 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 -9.017 42.149 10.695 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 -8.803 41.379 11.222 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 -8.279 42.238 10.092 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 -4.944 37.190 11.054 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 -4.901 38.050 10.636 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 -5.402 36.638 10.421 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 2.778 37.321 9.455 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 3.424 36.992 10.080 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 3.288 37.839 8.832 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 -8.324 39.587 11.816 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 -7.670 39.037 12.248 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 -8.300 39.313 10.900 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 -3.168 41.137 11.032 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 -2.552 40.611 11.541 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 -3.754 40.497 10.628 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 -6.540 38.000 13.081 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 -5.927 38.633 13.454 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 -6.028 37.528 12.424 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 -9.036 45.419 6.985 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 -9.308 45.648 6.096 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 -8.991 46.257 7.445 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 -2.108 33.414 12.581 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 -2.225 32.465 12.527 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 -2.963 33.746 12.854 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 0.159 42.251 7.081 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 -0.553 42.786 6.730 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 0.850 42.307 6.421 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 3.565 42.461 8.033 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 2.833 42.689 8.606 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 4.012 41.747 8.488 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 -4.790 43.091 9.916 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 -5.120 42.721 9.097 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 -4.202 42.421 10.262 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 2.436 41.623 5.718 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 3.015 41.773 6.465 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 2.850 42.094 4.995 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 6.134 33.373 5.531 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 5.235 33.512 5.826 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 6.386 34.204 5.129 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 -5.800 42.161 7.505 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 -6.092 42.929 7.014 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 -6.474 41.501 7.342 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1493 -4.839 34.317 13.359 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1493 -5.700 34.230 12.951 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1493 -4.861 35.173 13.786 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1494 3.913 42.656 3.348 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1494 3.955 42.433 2.418 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1494 4.762 43.054 3.538 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1495 -4.751 39.504 9.366 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1495 -5.644 39.163 9.307 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1495 -4.300 39.127 8.610 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1496 1.789 39.366 10.997 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1496 1.594 39.971 10.282 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1496 1.971 38.532 10.562 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1497 -2.169 36.931 10.452 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1497 -3.080 36.988 10.741 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1497 -1.664 36.871 11.263 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1498 -7.341 38.560 9.279 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1498 -8.230 38.660 8.939 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1498 -7.045 37.718 8.933 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1499 -0.849 39.719 12.339 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1499 -0.285 39.172 11.792 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1499 -0.997 39.197 13.128 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1500 -1.679 44.320 6.438 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1500 -2.423 43.813 6.115 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1500 -1.813 44.369 7.384 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1501 2.937 39.001 6.298 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1501 3.829 38.864 6.617 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1501 2.994 39.792 5.761 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1502 0.447 45.779 5.463 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1502 0.152 46.605 5.845 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1502 -0.256 45.159 5.659 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1503 -2.752 44.796 9.188 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1503 -2.993 45.721 9.230 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1503 -3.492 44.337 9.584 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1504 -2.399 47.085 2.725 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1504 -2.160 46.337 2.177 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1504 -2.668 46.697 3.557 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1505 -7.009 43.908 5.691 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1505 -7.695 44.260 6.258 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1505 -6.486 44.671 5.445 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1506 -0.309 35.031 8.840 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1506 -0.656 35.649 9.485 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1506 0.349 35.532 8.359 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1507 -6.393 46.522 4.588 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1507 -5.801 47.221 4.864 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1507 -5.934 46.089 3.869 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1508 -7.269 33.968 12.377 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1508 -7.498 34.027 11.450 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1508 -7.712 33.176 12.684 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1509 -4.802 44.675 2.954 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1509 -4.738 43.881 3.485 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1509 -4.149 44.556 2.265 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1510 -3.653 42.647 5.260 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1510 -4.112 42.163 5.946 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1510 -3.398 41.979 4.624 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1511 -9.116 46.217 4.007 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1511 -8.202 46.296 4.280 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1511 -9.109 45.530 3.340 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1512 6.278 39.308 3.709 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1512 6.375 39.975 3.029 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1512 6.138 38.492 3.227 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1513 5.448 40.688 9.330 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1513 5.298 39.743 9.310 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1513 5.094 40.969 10.174 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1514 5.526 36.716 2.826 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1514 6.136 36.344 3.463 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1514 4.689 36.294 3.022 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1515 5.158 38.271 7.792 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1515 5.438 37.364 7.917 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1515 5.917 38.705 7.403 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1516 5.772 35.534 7.841 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1516 5.954 35.085 8.666 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1516 5.172 34.949 7.377 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1517 -8.698 36.349 12.372 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1517 -8.253 35.557 12.674 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1517 -8.232 37.065 12.803 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1518 -10.394 39.348 13.441 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1518 -9.902 39.127 12.651 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1518 -10.032 40.189 13.722 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1519 0.033 35.217 11.849 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1519 -0.642 34.588 12.104 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1519 0.597 34.733 11.246 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1520 -3.061 33.778 9.484 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1520 -2.187 34.166 9.454 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1520 -3.197 33.563 10.407 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1521 2.496 33.808 11.133 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1521 2.572 33.903 10.184 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1521 2.220 32.900 11.262 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1522 3.849 33.834 6.826 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1522 3.146 34.448 6.616 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1522 3.404 32.996 6.957 0.00 0.00 WAT1 END