REMARK FILENAME="resa_04_waterIni.pdb" 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:28-Feb-2011 16:54:15 created by user: gliu REMARK VERSION:1.3 ATOM 1 HA MET 1 21.526 -5.161 9.874 1.00 64.52 A ATOM 2 CB MET 1 22.780 -3.492 10.344 1.00 11.01 A ATOM 3 HB1 MET 1 21.973 -2.775 10.355 1.00 53.14 A ATOM 4 HB2 MET 1 23.662 -3.023 9.936 1.00 44.24 A ATOM 5 CG MET 1 23.076 -3.896 11.779 1.00 30.41 A ATOM 6 HG1 MET 1 23.946 -4.536 11.786 1.00 43.23 A ATOM 7 HG2 MET 1 22.229 -4.441 12.168 1.00 72.40 A ATOM 8 SD MET 1 23.390 -2.480 12.849 1.00 4.33 A ATOM 9 CE MET 1 23.997 -3.297 14.323 1.00 11.22 A ATOM 10 HE1 MET 1 24.366 -2.558 15.019 1.00 42.34 A ATOM 11 HE2 MET 1 23.193 -3.853 14.782 1.00 23.43 A ATOM 12 HE3 MET 1 24.797 -3.972 14.057 1.00 61.14 A ATOM 13 C MET 1 22.019 -4.158 8.056 1.00 64.23 A ATOM 14 O MET 1 22.857 -3.602 7.347 1.00 64.50 A ATOM 15 N MET 1 23.472 -5.637 9.376 1.00 35.00 A ATOM 16 HT1 MET 1 23.231 -6.400 8.707 1.00 37.52 A ATOM 17 HT2 MET 1 23.637 -6.071 10.307 1.00 37.52 A ATOM 18 HT3 MET 1 24.356 -5.184 9.055 1.00 37.52 A ATOM 19 CA MET 1 22.385 -4.666 9.447 1.00 64.54 A ATOM 20 N GLY 2 20.761 -4.353 7.671 1.00 5.11 A ATOM 21 HN GLY 2 20.137 -4.802 8.278 1.00 32.04 A ATOM 22 CA GLY 2 20.307 -3.909 6.366 1.00 5.33 A ATOM 23 HA1 GLY 2 20.761 -4.532 5.609 1.00 14.40 A ATOM 24 HA2 GLY 2 20.625 -2.888 6.215 1.00 13.33 A ATOM 25 C GLY 2 18.800 -3.981 6.221 1.00 24.12 A ATOM 26 O GLY 2 18.091 -4.282 7.182 1.00 54.14 A ATOM 27 N HIS 3 18.309 -3.703 5.018 1.00 62.23 A ATOM 28 HN HIS 3 18.925 -3.470 4.292 1.00 23.34 A ATOM 29 CA HIS 3 16.876 -3.737 4.750 1.00 33.35 A ATOM 30 HA HIS 3 16.435 -4.481 5.397 1.00 65.42 A ATOM 31 CB HIS 3 16.246 -2.378 5.056 1.00 41.20 A ATOM 32 HB1 HIS 3 16.227 -2.229 6.126 1.00 24.21 A ATOM 33 HB2 HIS 3 15.235 -2.364 4.678 1.00 54.13 A ATOM 34 CG HIS 3 16.982 -1.226 4.443 1.00 15.12 A ATOM 35 ND1 HIS 3 16.736 -0.770 3.165 1.00 32.41 A ATOM 36 HD1 HIS 3 16.077 -1.141 2.542 1.00 32.14 A ATOM 37 CD2 HIS 3 17.960 -0.435 4.941 1.00 2.44 A ATOM 38 HD2 HIS 3 18.404 -0.505 5.925 1.00 41.23 A ATOM 39 CE1 HIS 3 17.533 0.250 2.903 1.00 52.10 A ATOM 40 HE1 HIS 3 17.564 0.807 1.979 1.00 72.05 A ATOM 41 NE2 HIS 3 18.286 0.474 3.965 1.00 55.41 A ATOM 42 HE2 HIS 3 18.895 1.234 4.075 1.00 37.52 A ATOM 43 C HIS 3 16.602 -4.123 3.300 1.00 64.21 A ATOM 44 O HIS 3 17.529 -4.283 2.504 1.00 33.43 A ATOM 45 N HIS 4 15.325 -4.272 2.963 1.00 43.04 A ATOM 46 HN HIS 4 14.632 -4.131 3.641 1.00 45.22 A ATOM 47 CA HIS 4 14.930 -4.640 1.607 1.00 3.54 A ATOM 48 HA HIS 4 15.677 -4.256 0.929 1.00 51.01 A ATOM 49 CB HIS 4 14.865 -6.161 1.467 1.00 2.34 A ATOM 50 HB1 HIS 4 14.574 -6.411 0.457 1.00 10.24 A ATOM 51 HB2 HIS 4 14.128 -6.548 2.156 1.00 43.33 A ATOM 52 CG HIS 4 16.166 -6.845 1.755 1.00 1.20 A ATOM 53 ND1 HIS 4 17.089 -7.150 0.776 1.00 14.35 A ATOM 54 HD1 HIS 4 16.993 -6.959 -0.180 1.00 11.45 A ATOM 55 CD2 HIS 4 16.698 -7.282 2.920 1.00 32.24 A ATOM 56 HD2 HIS 4 16.246 -7.208 3.900 1.00 71.02 A ATOM 57 CE1 HIS 4 18.131 -7.746 1.327 1.00 35.53 A ATOM 58 HE1 HIS 4 19.007 -8.099 0.804 1.00 11.23 A ATOM 59 NE2 HIS 4 17.919 -7.839 2.628 1.00 55.33 A ATOM 60 HE2 HIS 4 18.487 -8.328 3.259 1.00 37.52 A ATOM 61 C HIS 4 13.580 -4.026 1.250 1.00 40.32 A ATOM 62 O HIS 4 12.792 -3.678 2.130 1.00 41.42 A ATOM 63 N HIS 5 13.320 -3.895 -0.047 1.00 73.02 A ATOM 64 HN HIS 5 13.987 -4.191 -0.701 1.00 2.24 A ATOM 65 CA HIS 5 12.065 -3.323 -0.521 1.00 55.22 A ATOM 66 HA HIS 5 11.535 -2.931 0.334 1.00 41.31 A ATOM 67 CB HIS 5 12.338 -2.183 -1.503 1.00 12.23 A ATOM 68 HB1 HIS 5 13.047 -1.498 -1.061 1.00 2.12 A ATOM 69 HB2 HIS 5 11.415 -1.659 -1.701 1.00 54.43 A ATOM 70 CG HIS 5 12.896 -2.643 -2.814 1.00 42.52 A ATOM 71 ND1 HIS 5 14.225 -2.965 -2.995 1.00 53.31 A ATOM 72 HD1 HIS 5 14.921 -2.927 -2.308 1.00 4.34 A ATOM 73 CD2 HIS 5 12.297 -2.835 -4.013 1.00 23.13 A ATOM 74 HD2 HIS 5 11.252 -2.680 -4.240 1.00 51.42 A ATOM 75 CE1 HIS 5 14.419 -3.334 -4.248 1.00 42.15 A ATOM 76 HE1 HIS 5 15.361 -3.641 -4.678 1.00 52.14 A ATOM 77 NE2 HIS 5 13.265 -3.265 -4.887 1.00 41.42 A ATOM 78 HE2 HIS 5 13.145 -3.395 -5.851 1.00 37.52 A ATOM 79 C HIS 5 11.199 -4.388 -1.188 1.00 45.13 A ATOM 80 O HIS 5 11.639 -5.520 -1.395 1.00 0.53 A ATOM 81 N HIS 6 9.967 -4.018 -1.523 1.00 21.54 A ATOM 82 HN HIS 6 9.675 -3.103 -1.332 1.00 54.03 A ATOM 83 CA HIS 6 9.040 -4.943 -2.166 1.00 41.53 A ATOM 84 HA HIS 6 9.613 -5.772 -2.552 1.00 21.00 A ATOM 85 CB HIS 6 8.024 -5.469 -1.152 1.00 3.53 A ATOM 86 HB1 HIS 6 7.107 -5.716 -1.666 1.00 33.12 A ATOM 87 HB2 HIS 6 7.825 -4.700 -0.420 1.00 1.50 A ATOM 88 CG HIS 6 8.487 -6.690 -0.419 1.00 71.45 A ATOM 89 ND1 HIS 6 8.673 -6.724 0.946 1.00 34.14 A ATOM 90 HD1 HIS 6 8.528 -5.976 1.562 1.00 31.01 A ATOM 91 CD2 HIS 6 8.800 -7.928 -0.871 1.00 11.52 A ATOM 92 HD2 HIS 6 8.768 -8.263 -1.898 1.00 61.10 A ATOM 93 CE1 HIS 6 9.082 -7.928 1.303 1.00 34.44 A ATOM 94 HE1 HIS 6 9.308 -8.247 2.310 1.00 53.10 A ATOM 95 NE2 HIS 6 9.167 -8.678 0.219 1.00 14.02 A ATOM 96 HE2 HIS 6 9.354 -9.640 0.211 1.00 37.52 A ATOM 97 C HIS 6 8.315 -4.265 -3.325 1.00 61.45 A ATOM 98 O HIS 6 8.248 -3.038 -3.397 1.00 13.22 A ATOM 99 N HIS 7 7.775 -5.073 -4.232 1.00 73.42 A ATOM 100 HN HIS 7 7.862 -6.043 -4.121 1.00 12.25 A ATOM 101 CA HIS 7 7.055 -4.552 -5.389 1.00 13.14 A ATOM 102 HA HIS 7 6.951 -3.485 -5.261 1.00 71.11 A ATOM 103 CB HIS 7 7.841 -4.826 -6.671 1.00 52.51 A ATOM 104 HB1 HIS 7 8.698 -4.169 -6.707 1.00 42.24 A ATOM 105 HB2 HIS 7 7.207 -4.629 -7.523 1.00 14.00 A ATOM 106 CG HIS 7 8.335 -6.235 -6.782 1.00 33.12 A ATOM 107 ND1 HIS 7 9.653 -6.588 -6.587 1.00 24.11 A ATOM 108 HD1 HIS 7 10.383 -5.974 -6.364 1.00 42.23 A ATOM 109 CD2 HIS 7 7.678 -7.384 -7.067 1.00 53.44 A ATOM 110 HD2 HIS 7 6.622 -7.484 -7.277 1.00 51.25 A ATOM 111 CE1 HIS 7 9.786 -7.892 -6.750 1.00 24.34 A ATOM 112 HE1 HIS 7 10.706 -8.450 -6.659 1.00 63.21 A ATOM 113 NE2 HIS 7 8.602 -8.399 -7.041 1.00 50.24 A ATOM 114 HE2 HIS 7 8.435 -9.328 -7.305 1.00 37.52 A ATOM 115 C HIS 7 5.664 -5.172 -5.488 1.00 24.21 A ATOM 116 O HIS 7 5.501 -6.383 -5.331 1.00 53.41 A ATOM 117 N HIS 8 4.665 -4.335 -5.749 1.00 3.05 A ATOM 118 HN HIS 8 4.859 -3.381 -5.863 1.00 73.42 A ATOM 119 CA HIS 8 3.288 -4.801 -5.869 1.00 25.45 A ATOM 120 HA HIS 8 3.306 -5.880 -5.912 1.00 3.21 A ATOM 121 CB HIS 8 2.472 -4.366 -4.651 1.00 43.01 A ATOM 122 HB1 HIS 8 1.420 -4.471 -4.875 1.00 23.14 A ATOM 123 HB2 HIS 8 2.687 -3.330 -4.434 1.00 24.24 A ATOM 124 CG HIS 8 2.764 -5.164 -3.418 1.00 33.41 A ATOM 125 ND1 HIS 8 2.805 -6.543 -3.406 1.00 14.42 A ATOM 126 HD1 HIS 8 2.651 -7.126 -4.177 1.00 73.42 A ATOM 127 CD2 HIS 8 3.031 -4.770 -2.151 1.00 23.41 A ATOM 128 HD2 HIS 8 3.082 -3.752 -1.793 1.00 2.42 A ATOM 129 CE1 HIS 8 3.083 -6.962 -2.184 1.00 51.14 A ATOM 130 HE1 HIS 8 3.178 -7.992 -1.876 1.00 22.21 A ATOM 131 NE2 HIS 8 3.226 -5.906 -1.404 1.00 33.12 A ATOM 132 HE2 HIS 8 3.347 -5.934 -0.432 1.00 37.52 A ATOM 133 C HIS 8 2.644 -4.269 -7.145 1.00 32.22 A ATOM 134 O HIS 8 3.033 -3.220 -7.657 1.00 52.22 A ATOM 135 N SER 9 1.657 -5.001 -7.653 1.00 41.51 A ATOM 136 HN SER 9 1.392 -5.828 -7.198 1.00 45.35 A ATOM 137 CA SER 9 0.962 -4.604 -8.872 1.00 73.41 A ATOM 138 HA SER 9 1.699 -4.237 -9.570 1.00 2.42 A ATOM 139 CB SER 9 0.247 -5.807 -9.491 1.00 22.43 A ATOM 140 HB1 SER 9 -0.431 -6.232 -8.765 1.00 14.22 A ATOM 141 HB2 SER 9 0.978 -6.549 -9.777 1.00 14.32 A ATOM 142 OG SER 9 -0.491 -5.427 -10.639 1.00 13.03 A ATOM 143 HG SER 9 -0.030 -5.720 -11.428 1.00 33.40 A ATOM 144 C SER 9 -0.044 -3.493 -8.587 1.00 44.31 A ATOM 145 O SER 9 -0.753 -3.524 -7.581 1.00 73.42 A ATOM 146 N HIS 10 -0.098 -2.510 -9.480 1.00 54.24 A ATOM 147 HN HIS 10 0.492 -2.541 -10.261 1.00 43.54 A ATOM 148 CA HIS 10 -1.017 -1.387 -9.326 1.00 60.24 A ATOM 149 HA HIS 10 -1.244 -1.287 -8.276 1.00 55.41 A ATOM 150 CB HIS 10 -0.364 -0.096 -9.820 1.00 55.41 A ATOM 151 HB1 HIS 10 -1.061 0.721 -9.700 1.00 15.35 A ATOM 152 HB2 HIS 10 -0.119 -0.201 -10.867 1.00 21.45 A ATOM 153 CG HIS 10 0.892 0.259 -9.087 1.00 25.32 A ATOM 154 ND1 HIS 10 0.978 1.317 -8.207 1.00 53.11 A ATOM 155 HD1 HIS 10 0.249 1.930 -7.977 1.00 42.34 A ATOM 156 CD2 HIS 10 2.119 -0.313 -9.105 1.00 62.11 A ATOM 157 HD2 HIS 10 2.418 -1.174 -9.688 1.00 13.53 A ATOM 158 CE1 HIS 10 2.203 1.382 -7.717 1.00 51.14 A ATOM 159 HE1 HIS 10 2.562 2.110 -7.006 1.00 14.54 A ATOM 160 NE2 HIS 10 2.915 0.404 -8.246 1.00 64.40 A ATOM 161 HE2 HIS 10 3.879 0.277 -8.124 1.00 37.52 A ATOM 162 C HIS 10 -2.315 -1.639 -10.088 1.00 42.20 A ATOM 163 O HIS 10 -2.299 -1.905 -11.289 1.00 61.14 A ATOM 164 N MET 11 -3.437 -1.553 -9.380 1.00 64.35 A ATOM 165 HN MET 11 -3.385 -1.338 -8.426 1.00 14.43 A ATOM 166 CA MET 11 -4.743 -1.771 -9.991 1.00 30.43 A ATOM 167 HA MET 11 -4.735 -2.749 -10.449 1.00 12.10 A ATOM 168 CB MET 11 -5.840 -1.730 -8.926 1.00 35.35 A ATOM 169 HB1 MET 11 -6.802 -1.770 -9.414 1.00 54.15 A ATOM 170 HB2 MET 11 -5.761 -0.802 -8.379 1.00 70.24 A ATOM 171 CG MET 11 -5.765 -2.877 -7.930 1.00 42.14 A ATOM 172 HG1 MET 11 -4.729 -3.156 -7.803 1.00 34.31 A ATOM 173 HG2 MET 11 -6.316 -3.717 -8.326 1.00 42.12 A ATOM 174 SD MET 11 -6.451 -2.445 -6.320 1.00 25.13 A ATOM 175 CE MET 11 -5.267 -3.228 -5.227 1.00 31.31 A ATOM 176 HE1 MET 11 -4.622 -3.877 -5.800 1.00 60.24 A ATOM 177 HE2 MET 11 -4.673 -2.471 -4.738 1.00 11.42 A ATOM 178 HE3 MET 11 -5.794 -3.809 -4.484 1.00 22.33 A ATOM 179 C MET 11 -5.022 -0.726 -11.066 1.00 13.12 A ATOM 180 O MET 11 -4.381 0.324 -11.105 1.00 62.14 A ATOM 181 N SER 12 -5.983 -1.020 -11.936 1.00 21.40 A ATOM 182 HN SER 12 -6.458 -1.873 -11.852 1.00 74.51 A ATOM 183 CA SER 12 -6.344 -0.107 -13.014 1.00 62.21 A ATOM 184 HA SER 12 -5.430 0.278 -13.442 1.00 13.43 A ATOM 185 CB SER 12 -7.127 -0.849 -14.099 1.00 21.32 A ATOM 186 HB1 SER 12 -7.720 -0.141 -14.659 1.00 42.12 A ATOM 187 HB2 SER 12 -7.777 -1.576 -13.636 1.00 60.23 A ATOM 188 OG SER 12 -6.253 -1.520 -14.990 1.00 40.02 A ATOM 189 HG SER 12 -6.757 -1.874 -15.727 1.00 5.20 A ATOM 190 C SER 12 -7.170 1.060 -12.483 1.00 41.43 A ATOM 191 O SER 12 -7.541 1.091 -11.309 1.00 71.45 A ATOM 192 N HIS 13 -7.455 2.021 -13.357 1.00 5.22 A ATOM 193 HN HIS 13 -7.131 1.941 -14.278 1.00 62.50 A ATOM 194 CA HIS 13 -8.237 3.192 -12.977 1.00 74.15 A ATOM 195 HA HIS 13 -7.790 3.617 -12.092 1.00 51.30 A ATOM 196 CB HIS 13 -8.212 4.233 -14.097 1.00 11.12 A ATOM 197 HB1 HIS 13 -8.829 3.889 -14.914 1.00 74.22 A ATOM 198 HB2 HIS 13 -7.197 4.353 -14.445 1.00 2.32 A ATOM 199 CG HIS 13 -8.715 5.579 -13.674 1.00 51.14 A ATOM 200 ND1 HIS 13 -7.880 6.617 -13.318 1.00 21.33 A ATOM 201 HD1 HIS 13 -6.901 6.584 -13.302 1.00 30.20 A ATOM 202 CD2 HIS 13 -9.977 6.055 -13.554 1.00 45.22 A ATOM 203 HD2 HIS 13 -10.889 5.512 -13.754 1.00 74.40 A ATOM 204 CE1 HIS 13 -8.606 7.672 -12.995 1.00 2.22 A ATOM 205 HE1 HIS 13 -8.222 8.629 -12.675 1.00 13.51 A ATOM 206 NE2 HIS 13 -9.881 7.358 -13.130 1.00 75.13 A ATOM 207 HE2 HIS 13 -10.634 7.929 -12.869 1.00 37.52 A ATOM 208 C HIS 13 -9.678 2.803 -12.661 1.00 74.31 A ATOM 209 O HIS 13 -10.190 3.097 -11.580 1.00 42.42 A ATOM 210 N THR 14 -10.329 2.139 -13.612 1.00 15.24 A ATOM 211 HN THR 14 -9.868 1.934 -14.451 1.00 71.13 A ATOM 212 CA THR 14 -11.712 1.712 -13.435 1.00 65.53 A ATOM 213 HA THR 14 -12.297 2.578 -13.164 1.00 2.12 A ATOM 214 CB THR 14 -12.289 1.127 -14.738 1.00 31.40 A ATOM 215 HB THR 14 -11.909 0.123 -14.863 1.00 74.43 A ATOM 216 OG1 THR 14 -11.881 1.923 -15.856 1.00 11.22 A ATOM 217 HG1 THR 14 -12.389 2.738 -15.871 1.00 34.21 A ATOM 218 CG2 THR 14 -13.808 1.068 -14.678 1.00 60.10 A ATOM 219 HG21 THR 14 -14.113 0.566 -13.772 1.00 75.41 A ATOM 220 HG22 THR 14 -14.181 0.526 -15.534 1.00 72.30 A ATOM 221 HG23 THR 14 -14.207 2.071 -14.685 1.00 30.10 A ATOM 222 C THR 14 -11.828 0.670 -12.328 1.00 62.25 A ATOM 223 O THR 14 -12.862 0.564 -11.670 1.00 73.25 A ATOM 224 N GLN 15 -10.760 -0.096 -12.129 1.00 31.23 A ATOM 225 HN GLN 15 -9.966 0.037 -12.686 1.00 24.54 A ATOM 226 CA GLN 15 -10.744 -1.130 -11.100 1.00 41.15 A ATOM 227 HA GLN 15 -11.547 -1.820 -11.312 1.00 25.12 A ATOM 228 CB GLN 15 -9.416 -1.888 -11.131 1.00 24.05 A ATOM 229 HB1 GLN 15 -8.621 -1.209 -10.860 1.00 1.41 A ATOM 230 HB2 GLN 15 -9.244 -2.249 -12.133 1.00 64.44 A ATOM 231 CG GLN 15 -9.371 -3.075 -10.182 1.00 1.24 A ATOM 232 HG1 GLN 15 -10.343 -3.545 -10.168 1.00 61.34 A ATOM 233 HG2 GLN 15 -9.131 -2.718 -9.191 1.00 32.53 A ATOM 234 CD GLN 15 -8.337 -4.107 -10.587 1.00 35.42 A ATOM 235 OE1 GLN 15 -7.136 -3.838 -10.576 1.00 51.52 A ATOM 236 NE2 GLN 15 -8.800 -5.299 -10.947 1.00 53.31 A ATOM 237 HE21 GLN 15 -9.770 -5.442 -10.932 1.00 53.34 A ATOM 238 HE22 GLN 15 -8.155 -5.985 -11.214 1.00 42.44 A ATOM 239 C GLN 15 -10.967 -0.526 -9.718 1.00 31.11 A ATOM 240 O GLN 15 -11.799 -1.005 -8.947 1.00 52.50 A ATOM 241 N VAL 16 -10.218 0.528 -9.410 1.00 21.12 A ATOM 242 HN VAL 16 -9.572 0.863 -10.066 1.00 40.30 A ATOM 243 CA VAL 16 -10.334 1.198 -8.120 1.00 74.02 A ATOM 244 HA VAL 16 -10.057 0.492 -7.351 1.00 10.02 A ATOM 245 CB VAL 16 -9.387 2.409 -8.029 1.00 50.03 A ATOM 246 HB VAL 16 -9.652 3.107 -8.810 1.00 65.33 A ATOM 247 CG1 VAL 16 -9.546 3.112 -6.690 1.00 24.12 A ATOM 248 HG11 VAL 16 -8.810 3.899 -6.607 1.00 73.14 A ATOM 249 HG12 VAL 16 -10.537 3.535 -6.620 1.00 30.11 A ATOM 250 HG13 VAL 16 -9.400 2.400 -5.891 1.00 35.14 A ATOM 251 CG2 VAL 16 -7.945 1.975 -8.245 1.00 73.54 A ATOM 252 HG21 VAL 16 -7.418 1.997 -7.303 1.00 53.22 A ATOM 253 HG22 VAL 16 -7.927 0.970 -8.644 1.00 12.24 A ATOM 254 HG23 VAL 16 -7.467 2.646 -8.942 1.00 40.24 A ATOM 255 C VAL 16 -11.764 1.665 -7.871 1.00 0.13 A ATOM 256 O VAL 16 -12.270 1.578 -6.751 1.00 63.44 A ATOM 257 N ILE 17 -12.410 2.161 -8.920 1.00 73.35 A ATOM 258 HN ILE 17 -11.954 2.204 -9.786 1.00 43.22 A ATOM 259 CA ILE 17 -13.783 2.640 -8.815 1.00 43.14 A ATOM 260 HA ILE 17 -13.782 3.517 -8.184 1.00 44.45 A ATOM 261 CB ILE 17 -14.348 3.034 -10.193 1.00 14.34 A ATOM 262 HB ILE 17 -14.361 2.154 -10.817 1.00 44.22 A ATOM 263 CG1 ILE 17 -13.465 4.099 -10.845 1.00 44.15 A ATOM 264 HG11 ILE 17 -12.451 3.729 -10.902 1.00 2.54 A ATOM 265 HG12 ILE 17 -13.484 4.993 -10.243 1.00 1.23 A ATOM 266 CG2 ILE 17 -15.778 3.537 -10.054 1.00 63.40 A ATOM 267 HG21 ILE 17 -15.804 4.359 -9.354 1.00 20.30 A ATOM 268 HG22 ILE 17 -16.136 3.873 -11.016 1.00 25.43 A ATOM 269 HG23 ILE 17 -16.407 2.737 -9.694 1.00 55.02 A ATOM 270 CD1 ILE 17 -13.902 4.473 -12.244 1.00 72.24 A ATOM 271 HD11 ILE 17 -13.034 4.693 -12.847 1.00 45.11 A ATOM 272 HD12 ILE 17 -14.447 3.651 -12.683 1.00 73.14 A ATOM 273 HD13 ILE 17 -14.539 5.345 -12.201 1.00 74.41 A ATOM 274 C ILE 17 -14.688 1.584 -8.190 1.00 4.00 A ATOM 275 O ILE 17 -15.371 1.846 -7.201 1.00 32.11 A ATOM 276 N GLU 18 -14.685 0.389 -8.773 1.00 43.42 A ATOM 277 HN GLU 18 -14.118 0.242 -9.559 1.00 52.11 A ATOM 278 CA GLU 18 -15.505 -0.707 -8.272 1.00 11.24 A ATOM 279 HA GLU 18 -16.540 -0.417 -8.367 1.00 15.53 A ATOM 280 CB GLU 18 -15.266 -1.972 -9.098 1.00 42.02 A ATOM 281 HB1 GLU 18 -15.799 -2.792 -8.641 1.00 31.14 A ATOM 282 HB2 GLU 18 -14.209 -2.195 -9.095 1.00 31.43 A ATOM 283 CG GLU 18 -15.724 -1.852 -10.542 1.00 13.32 A ATOM 284 HG1 GLU 18 -15.383 -2.718 -11.088 1.00 65.51 A ATOM 285 HG2 GLU 18 -15.289 -0.962 -10.972 1.00 23.14 A ATOM 286 CD GLU 18 -17.233 -1.762 -10.669 1.00 44.23 A ATOM 287 OE1 GLU 18 -17.709 -1.185 -11.669 1.00 75.45 A ATOM 288 OE2 GLU 18 -17.936 -2.267 -9.770 1.00 2.03 A ATOM 289 C GLU 18 -15.205 -0.982 -6.801 1.00 62.41 A ATOM 290 O GLU 18 -16.110 -1.258 -6.012 1.00 25.31 A ATOM 291 N LEU 19 -13.929 -0.906 -6.440 1.00 22.42 A ATOM 292 HN LEU 19 -13.253 -0.683 -7.113 1.00 13.40 A ATOM 293 CA LEU 19 -13.507 -1.148 -5.064 1.00 54.02 A ATOM 294 HA LEU 19 -13.889 -2.113 -4.765 1.00 52.24 A ATOM 295 CB LEU 19 -11.981 -1.166 -4.973 1.00 65.25 A ATOM 296 HB1 LEU 19 -11.712 -1.117 -3.928 1.00 24.52 A ATOM 297 HB2 LEU 19 -11.609 -0.289 -5.480 1.00 2.33 A ATOM 298 CG LEU 19 -11.287 -2.386 -5.581 1.00 25.04 A ATOM 299 HG LEU 19 -11.873 -2.748 -6.414 1.00 22.10 A ATOM 300 CD1 LEU 19 -9.909 -2.011 -6.105 1.00 11.34 A ATOM 301 HD11 LEU 19 -9.582 -1.096 -5.634 1.00 52.24 A ATOM 302 HD12 LEU 19 -9.957 -1.869 -7.174 1.00 53.21 A ATOM 303 HD13 LEU 19 -9.210 -2.803 -5.878 1.00 40.52 A ATOM 304 CD2 LEU 19 -11.182 -3.506 -4.555 1.00 53.42 A ATOM 305 HD21 LEU 19 -10.540 -3.193 -3.746 1.00 4.35 A ATOM 306 HD22 LEU 19 -10.767 -4.386 -5.024 1.00 52.14 A ATOM 307 HD23 LEU 19 -12.165 -3.732 -4.169 1.00 23.15 A ATOM 308 C LEU 19 -14.071 -0.085 -4.127 1.00 52.43 A ATOM 309 O LEU 19 -14.422 -0.375 -2.984 1.00 50.41 A ATOM 310 N GLU 20 -14.157 1.147 -4.621 1.00 62.30 A ATOM 311 HN GLU 20 -13.861 1.315 -5.540 1.00 0.31 A ATOM 312 CA GLU 20 -14.680 2.253 -3.827 1.00 63.44 A ATOM 313 HA GLU 20 -14.141 2.273 -2.892 1.00 52.31 A ATOM 314 CB GLU 20 -14.461 3.580 -4.556 1.00 13.30 A ATOM 315 HB1 GLU 20 -15.096 4.331 -4.108 1.00 62.12 A ATOM 316 HB2 GLU 20 -14.740 3.459 -5.592 1.00 62.44 A ATOM 317 CG GLU 20 -13.026 4.076 -4.502 1.00 21.44 A ATOM 318 HG1 GLU 20 -12.484 3.662 -5.340 1.00 1.35 A ATOM 319 HG2 GLU 20 -12.576 3.736 -3.581 1.00 21.22 A ATOM 320 CD GLU 20 -12.928 5.588 -4.559 1.00 22.32 A ATOM 321 OE1 GLU 20 -12.745 6.212 -3.493 1.00 20.32 A ATOM 322 OE2 GLU 20 -13.034 6.147 -5.671 1.00 22.34 A ATOM 323 C GLU 20 -16.165 2.058 -3.536 1.00 1.34 A ATOM 324 O GLU 20 -16.626 2.302 -2.420 1.00 72.34 A ATOM 325 N ARG 21 -16.908 1.619 -4.546 1.00 61.11 A ATOM 326 HN ARG 21 -16.483 1.443 -5.411 1.00 64.24 A ATOM 327 CA ARG 21 -18.341 1.394 -4.399 1.00 62.53 A ATOM 328 HA ARG 21 -18.813 2.352 -4.242 1.00 30.42 A ATOM 329 CB ARG 21 -18.912 0.760 -5.669 1.00 43.35 A ATOM 330 HB1 ARG 21 -19.889 0.358 -5.449 1.00 0.34 A ATOM 331 HB2 ARG 21 -18.262 -0.045 -5.980 1.00 41.31 A ATOM 332 CG ARG 21 -19.048 1.735 -6.828 1.00 31.03 A ATOM 333 HG1 ARG 21 -18.066 1.953 -7.220 1.00 0.24 A ATOM 334 HG2 ARG 21 -19.505 2.645 -6.468 1.00 51.23 A ATOM 335 CD ARG 21 -19.909 1.160 -7.941 1.00 71.24 A ATOM 336 HD1 ARG 21 -19.558 0.165 -8.172 1.00 12.01 A ATOM 337 HD2 ARG 21 -19.811 1.787 -8.815 1.00 11.23 A ATOM 338 NE ARG 21 -21.318 1.090 -7.564 1.00 12.44 A ATOM 339 HE ARG 21 -21.680 0.214 -7.319 1.00 22.41 A ATOM 340 CZ ARG 21 -22.124 2.146 -7.535 1.00 73.14 A ATOM 341 NH1 ARG 21 -21.663 3.345 -7.861 1.00 50.45 A ATOM 342 HH11 ARG 21 -20.706 3.456 -8.130 1.00 14.20 A ATOM 343 HH12 ARG 21 -22.272 4.138 -7.841 1.00 15.34 A ATOM 344 NH2 ARG 21 -23.395 2.002 -7.181 1.00 1.51 A ATOM 345 HH21 ARG 21 -23.746 1.100 -6.935 1.00 32.33 A ATOM 346 HH22 ARG 21 -24.001 2.797 -7.160 1.00 4.22 A ATOM 347 C ARG 21 -18.630 0.499 -3.198 1.00 31.23 A ATOM 348 O ARG 21 -19.685 0.604 -2.571 1.00 62.42 A ATOM 349 N LYS 22 -17.687 -0.382 -2.881 1.00 43.25 A ATOM 350 HN LYS 22 -16.867 -0.418 -3.419 1.00 11.31 A ATOM 351 CA LYS 22 -17.838 -1.295 -1.755 1.00 73.10 A ATOM 352 HA LYS 22 -18.886 -1.536 -1.662 1.00 15.53 A ATOM 353 CB LYS 22 -17.052 -2.583 -2.007 1.00 61.50 A ATOM 354 HB1 LYS 22 -15.996 -2.364 -1.943 1.00 64.53 A ATOM 355 HB2 LYS 22 -17.277 -2.940 -3.001 1.00 53.03 A ATOM 356 CG LYS 22 -17.369 -3.693 -1.019 1.00 40.31 A ATOM 357 HG1 LYS 22 -17.274 -3.305 -0.014 1.00 61.55 A ATOM 358 HG2 LYS 22 -16.668 -4.502 -1.163 1.00 11.44 A ATOM 359 CD LYS 22 -18.779 -4.225 -1.212 1.00 12.44 A ATOM 360 HD1 LYS 22 -19.371 -3.476 -1.719 1.00 1.30 A ATOM 361 HD2 LYS 22 -19.212 -4.433 -0.244 1.00 43.42 A ATOM 362 CE LYS 22 -18.785 -5.502 -2.037 1.00 32.21 A ATOM 363 HE1 LYS 22 -19.455 -6.211 -1.574 1.00 35.24 A ATOM 364 HE2 LYS 22 -17.786 -5.910 -2.053 1.00 50.41 A ATOM 365 NZ LYS 22 -19.231 -5.256 -3.436 1.00 73.53 A ATOM 366 HZ1 LYS 22 -18.665 -5.826 -4.097 1.00 22.42 A ATOM 367 HZ2 LYS 22 -19.116 -4.251 -3.677 1.00 21.52 A ATOM 368 HZ3 LYS 22 -20.233 -5.515 -3.543 1.00 1.20 A ATOM 369 C LYS 22 -17.366 -0.644 -0.459 1.00 42.22 A ATOM 370 O LYS 22 -17.889 -0.930 0.618 1.00 53.11 A ATOM 371 N PHE 23 -16.374 0.234 -0.571 1.00 15.13 A ATOM 372 HN PHE 23 -15.998 0.420 -1.457 1.00 12.23 A ATOM 373 CA PHE 23 -15.832 0.926 0.592 1.00 0.54 A ATOM 374 HA PHE 23 -15.611 0.185 1.345 1.00 12.50 A ATOM 375 CB PHE 23 -14.541 1.659 0.220 1.00 12.03 A ATOM 376 HB1 PHE 23 -14.771 2.439 -0.490 1.00 64.54 A ATOM 377 HB2 PHE 23 -13.855 0.958 -0.230 1.00 23.24 A ATOM 378 CG PHE 23 -13.851 2.291 1.395 1.00 64.11 A ATOM 379 CD1 PHE 23 -14.288 3.504 1.902 1.00 20.01 A ATOM 380 HD1 PHE 23 -15.134 3.996 1.445 1.00 70.31 A ATOM 381 CD2 PHE 23 -12.765 1.672 1.992 1.00 25.22 A ATOM 382 HD2 PHE 23 -12.415 0.725 1.605 1.00 41.14 A ATOM 383 CE1 PHE 23 -13.654 4.088 2.982 1.00 23.13 A ATOM 384 HE1 PHE 23 -14.004 5.033 3.369 1.00 55.34 A ATOM 385 CE2 PHE 23 -12.126 2.251 3.073 1.00 34.20 A ATOM 386 HE2 PHE 23 -11.281 1.757 3.529 1.00 34.03 A ATOM 387 CZ PHE 23 -12.572 3.460 3.569 1.00 14.02 A ATOM 388 HZ PHE 23 -12.075 3.914 4.413 1.00 11.40 A ATOM 389 C PHE 23 -16.846 1.916 1.159 1.00 74.15 A ATOM 390 O PHE 23 -17.088 1.951 2.365 1.00 54.41 A ATOM 391 N SER 24 -17.436 2.718 0.278 1.00 13.31 A ATOM 392 HN SER 24 -17.201 2.642 -0.670 1.00 71.34 A ATOM 393 CA SER 24 -18.421 3.712 0.689 1.00 33.44 A ATOM 394 HA SER 24 -17.913 4.457 1.282 1.00 44.41 A ATOM 395 CB SER 24 -19.039 4.386 -0.537 1.00 11.31 A ATOM 396 HB1 SER 24 -19.898 3.817 -0.863 1.00 1.42 A ATOM 397 HB2 SER 24 -18.309 4.422 -1.331 1.00 1.21 A ATOM 398 OG SER 24 -19.453 5.708 -0.237 1.00 75.13 A ATOM 399 HG SER 24 -19.563 6.202 -1.053 1.00 43.10 A ATOM 400 C SER 24 -19.516 3.072 1.538 1.00 53.03 A ATOM 401 O SER 24 -20.015 3.677 2.487 1.00 14.11 A ATOM 402 N HIS 25 -19.886 1.844 1.188 1.00 24.11 A ATOM 403 HN HIS 25 -19.451 1.414 0.422 1.00 10.23 A ATOM 404 CA HIS 25 -20.921 1.120 1.917 1.00 53.30 A ATOM 405 HA HIS 25 -21.752 1.793 2.068 1.00 3.14 A ATOM 406 CB HIS 25 -21.399 -0.084 1.106 1.00 64.45 A ATOM 407 HB1 HIS 25 -21.879 -0.790 1.769 1.00 50.44 A ATOM 408 HB2 HIS 25 -20.546 -0.558 0.641 1.00 12.30 A ATOM 409 CG HIS 25 -22.373 0.270 0.025 1.00 60.45 A ATOM 410 ND1 HIS 25 -23.285 1.297 0.141 1.00 53.04 A ATOM 411 HD1 HIS 25 -23.390 1.884 0.918 1.00 73.02 A ATOM 412 CD2 HIS 25 -22.573 -0.273 -1.199 1.00 51.13 A ATOM 413 HD2 HIS 25 -22.032 -1.104 -1.629 1.00 63.03 A ATOM 414 CE1 HIS 25 -24.006 1.370 -0.964 1.00 44.14 A ATOM 415 HE1 HIS 25 -24.797 2.079 -1.158 1.00 22.23 A ATOM 416 NE2 HIS 25 -23.593 0.429 -1.794 1.00 30.42 A ATOM 417 HE2 HIS 25 -24.020 0.201 -2.646 1.00 37.52 A ATOM 418 C HIS 25 -20.407 0.661 3.278 1.00 34.40 A ATOM 419 O HIS 25 -21.090 0.810 4.291 1.00 23.43 A ATOM 420 N GLN 26 -19.202 0.101 3.292 1.00 42.32 A ATOM 421 HN GLN 26 -18.707 0.011 2.451 1.00 33.44 A ATOM 422 CA GLN 26 -18.598 -0.381 4.528 1.00 33.34 A ATOM 423 HA GLN 26 -18.873 0.301 5.319 1.00 65.50 A ATOM 424 CB GLN 26 -19.127 -1.776 4.869 1.00 55.43 A ATOM 425 HB1 GLN 26 -20.207 -1.758 4.828 1.00 44.13 A ATOM 426 HB2 GLN 26 -18.817 -2.031 5.871 1.00 15.40 A ATOM 427 CG GLN 26 -18.633 -2.861 3.926 1.00 51.21 A ATOM 428 HG1 GLN 26 -17.694 -3.242 4.298 1.00 22.32 A ATOM 429 HG2 GLN 26 -18.483 -2.429 2.948 1.00 45.14 A ATOM 430 CD GLN 26 -19.609 -4.014 3.800 1.00 55.40 A ATOM 431 OE1 GLN 26 -20.208 -4.223 2.744 1.00 23.23 A ATOM 432 NE2 GLN 26 -19.776 -4.769 4.879 1.00 21.41 A ATOM 433 HE21 GLN 26 -19.267 -4.542 5.686 1.00 64.13 A ATOM 434 HE22 GLN 26 -20.401 -5.521 4.826 1.00 14.31 A ATOM 435 C GLN 26 -17.078 -0.415 4.415 1.00 62.31 A ATOM 436 O GLN 26 -16.529 -0.556 3.322 1.00 41.12 A ATOM 437 N LYS 27 -16.402 -0.285 5.551 1.00 24.23 A ATOM 438 HN LYS 27 -16.896 -0.176 6.391 1.00 24.14 A ATOM 439 CA LYS 27 -14.944 -0.302 5.581 1.00 40.30 A ATOM 440 HA LYS 27 -14.588 0.240 4.718 1.00 13.50 A ATOM 441 CB LYS 27 -14.431 0.387 6.848 1.00 34.41 A ATOM 442 HB1 LYS 27 -13.367 0.544 6.752 1.00 24.22 A ATOM 443 HB2 LYS 27 -14.616 -0.259 7.694 1.00 72.01 A ATOM 444 CG LYS 27 -15.089 1.729 7.120 1.00 64.35 A ATOM 445 HG1 LYS 27 -14.727 2.112 8.063 1.00 2.11 A ATOM 446 HG2 LYS 27 -16.159 1.592 7.171 1.00 25.33 A ATOM 447 CD LYS 27 -14.775 2.735 6.025 1.00 24.11 A ATOM 448 HD1 LYS 27 -15.042 2.308 5.068 1.00 4.25 A ATOM 449 HD2 LYS 27 -13.717 2.953 6.041 1.00 52.20 A ATOM 450 CE LYS 27 -15.546 4.031 6.221 1.00 34.22 A ATOM 451 HE1 LYS 27 -16.599 3.832 6.082 1.00 42.14 A ATOM 452 HE2 LYS 27 -15.215 4.747 5.485 1.00 20.10 A ATOM 453 NZ LYS 27 -15.337 4.601 7.581 1.00 63.12 A ATOM 454 HZ1 LYS 27 -15.725 5.565 7.627 1.00 23.14 A ATOM 455 HZ2 LYS 27 -14.321 4.637 7.800 1.00 0.52 A ATOM 456 HZ3 LYS 27 -15.813 4.012 8.293 1.00 75.10 A ATOM 457 C LYS 27 -14.415 -1.731 5.516 1.00 4.25 A ATOM 458 O LYS 27 -13.579 -2.056 4.673 1.00 51.04 A ATOM 459 N TYR 28 -14.907 -2.580 6.411 1.00 1.04 A ATOM 460 HN TYR 28 -15.570 -2.262 7.059 1.00 54.35 A ATOM 461 CA TYR 28 -14.482 -3.974 6.456 1.00 35.23 A ATOM 462 HA TYR 28 -13.517 -4.043 5.977 1.00 3.54 A ATOM 463 CB TYR 28 -14.351 -4.443 7.907 1.00 51.35 A ATOM 464 HB1 TYR 28 -14.349 -5.523 7.930 1.00 43.41 A ATOM 465 HB2 TYR 28 -15.193 -4.077 8.473 1.00 34.34 A ATOM 466 CG TYR 28 -13.090 -3.960 8.587 1.00 61.22 A ATOM 467 CD1 TYR 28 -12.828 -2.603 8.725 1.00 44.42 A ATOM 468 HD1 TYR 28 -13.540 -1.888 8.338 1.00 61.34 A ATOM 469 CD2 TYR 28 -12.160 -4.861 9.091 1.00 73.44 A ATOM 470 HD2 TYR 28 -12.349 -5.921 8.991 1.00 53.51 A ATOM 471 CE1 TYR 28 -11.676 -2.157 9.345 1.00 54.00 A ATOM 472 HE1 TYR 28 -11.490 -1.098 9.443 1.00 1.41 A ATOM 473 CE2 TYR 28 -11.007 -4.425 9.713 1.00 12.15 A ATOM 474 HE2 TYR 28 -10.297 -5.141 10.099 1.00 23.12 A ATOM 475 CZ TYR 28 -10.770 -3.072 9.838 1.00 4.11 A ATOM 476 OH TYR 28 -9.621 -2.633 10.457 1.00 74.03 A ATOM 477 HH TYR 28 -9.194 -3.371 10.898 1.00 41.21 A ATOM 478 C TYR 28 -15.467 -4.868 5.709 1.00 53.23 A ATOM 479 O TYR 28 -16.683 -4.720 5.842 1.00 20.53 A ATOM 480 N LEU 29 -14.934 -5.796 4.922 1.00 40.55 A ATOM 481 HN LEU 29 -13.959 -5.865 4.856 1.00 51.42 A ATOM 482 CA LEU 29 -15.764 -6.715 4.152 1.00 73.43 A ATOM 483 HA LEU 29 -16.762 -6.305 4.111 1.00 75.32 A ATOM 484 CB LEU 29 -15.223 -6.852 2.728 1.00 62.43 A ATOM 485 HB1 LEU 29 -15.560 -7.802 2.337 1.00 50.25 A ATOM 486 HB2 LEU 29 -14.145 -6.850 2.782 1.00 31.32 A ATOM 487 CG LEU 29 -15.644 -5.762 1.742 1.00 63.03 A ATOM 488 HG LEU 29 -15.322 -4.801 2.119 1.00 40.13 A ATOM 489 CD1 LEU 29 -14.982 -5.980 0.390 1.00 72.51 A ATOM 490 HD11 LEU 29 -15.019 -5.065 -0.181 1.00 30.11 A ATOM 491 HD12 LEU 29 -15.505 -6.760 -0.145 1.00 0.41 A ATOM 492 HD13 LEU 29 -13.953 -6.273 0.536 1.00 23.32 A ATOM 493 CD2 LEU 29 -17.158 -5.729 1.597 1.00 33.34 A ATOM 494 HD21 LEU 29 -17.421 -5.780 0.551 1.00 62.50 A ATOM 495 HD22 LEU 29 -17.540 -4.811 2.020 1.00 73.04 A ATOM 496 HD23 LEU 29 -17.588 -6.572 2.118 1.00 2.13 A ATOM 497 C LEU 29 -15.823 -8.085 4.820 1.00 62.42 A ATOM 498 O LEU 29 -15.042 -8.380 5.725 1.00 42.44 A ATOM 499 N SER 30 -16.752 -8.920 4.366 1.00 72.20 A ATOM 500 HN SER 30 -17.345 -8.627 3.642 1.00 32.34 A ATOM 501 CA SER 30 -16.914 -10.259 4.921 1.00 63.03 A ATOM 502 HA SER 30 -16.564 -10.239 5.942 1.00 14.13 A ATOM 503 CB SER 30 -18.389 -10.665 4.907 1.00 65.54 A ATOM 504 HB1 SER 30 -18.566 -11.391 5.687 1.00 35.21 A ATOM 505 HB2 SER 30 -18.630 -11.100 3.949 1.00 73.51 A ATOM 506 OG SER 30 -19.228 -9.545 5.124 1.00 34.04 A ATOM 507 HG SER 30 -19.756 -9.689 5.914 1.00 42.44 A ATOM 508 C SER 30 -16.087 -11.275 4.138 1.00 51.31 A ATOM 509 O SER 30 -15.387 -10.922 3.189 1.00 31.41 A ATOM 510 N ALA 31 -16.174 -12.537 4.543 1.00 21.35 A ATOM 511 HN ALA 31 -16.749 -12.756 5.306 1.00 1.22 A ATOM 512 CA ALA 31 -15.436 -13.605 3.880 1.00 74.30 A ATOM 513 HA ALA 31 -14.395 -13.318 3.841 1.00 15.22 A ATOM 514 CB ALA 31 -15.541 -14.895 4.680 1.00 21.04 A ATOM 515 HB1 ALA 31 -16.373 -14.826 5.366 1.00 2.43 A ATOM 516 HB2 ALA 31 -15.697 -15.725 4.007 1.00 0.42 A ATOM 517 HB3 ALA 31 -14.628 -15.048 5.236 1.00 61.40 A ATOM 518 C ALA 31 -15.943 -13.821 2.458 1.00 43.42 A ATOM 519 O ALA 31 -15.206 -13.674 1.482 1.00 13.11 A ATOM 520 N PRO 32 -17.230 -14.178 2.335 1.00 43.23 A ATOM 521 CA PRO 32 -17.863 -14.421 1.035 1.00 22.22 A ATOM 522 HA PRO 32 -17.307 -15.140 0.451 1.00 5.22 A ATOM 523 CB PRO 32 -19.226 -15.010 1.409 1.00 5.32 A ATOM 524 HB1 PRO 32 -19.170 -16.088 1.405 1.00 44.23 A ATOM 525 HB2 PRO 32 -19.970 -14.679 0.699 1.00 14.21 A ATOM 526 CG PRO 32 -19.503 -14.485 2.775 1.00 2.55 A ATOM 527 HG1 PRO 32 -20.138 -15.174 3.312 1.00 63.44 A ATOM 528 HG2 PRO 32 -19.973 -13.515 2.708 1.00 63.20 A ATOM 529 CD PRO 32 -18.166 -14.371 3.455 1.00 70.04 A ATOM 530 HD1 PRO 32 -17.939 -15.279 3.994 1.00 4.31 A ATOM 531 HD2 PRO 32 -18.152 -13.521 4.120 1.00 1.32 A ATOM 532 C PRO 32 -18.039 -13.140 0.227 1.00 34.03 A ATOM 533 O PRO 32 -18.181 -13.181 -0.994 1.00 43.03 A ATOM 534 N GLU 33 -18.030 -12.004 0.918 1.00 21.20 A ATOM 535 HN GLU 33 -17.913 -12.037 1.890 1.00 14.44 A ATOM 536 CA GLU 33 -18.190 -10.711 0.263 1.00 64.31 A ATOM 537 HA GLU 33 -18.961 -10.812 -0.485 1.00 54.41 A ATOM 538 CB GLU 33 -18.617 -9.649 1.278 1.00 22.44 A ATOM 539 HB1 GLU 33 -18.349 -8.675 0.896 1.00 74.40 A ATOM 540 HB2 GLU 33 -18.087 -9.820 2.204 1.00 33.12 A ATOM 541 CG GLU 33 -20.107 -9.653 1.572 1.00 35.24 A ATOM 542 HG1 GLU 33 -20.305 -8.956 2.373 1.00 33.14 A ATOM 543 HG2 GLU 33 -20.398 -10.646 1.881 1.00 31.12 A ATOM 544 CD GLU 33 -20.941 -9.258 0.369 1.00 44.23 A ATOM 545 OE1 GLU 33 -20.444 -8.473 -0.466 1.00 4.25 A ATOM 546 OE2 GLU 33 -22.090 -9.734 0.261 1.00 31.22 A ATOM 547 C GLU 33 -16.894 -10.284 -0.421 1.00 71.43 A ATOM 548 O GLU 33 -16.906 -9.820 -1.562 1.00 22.34 A ATOM 549 N ARG 34 -15.779 -10.444 0.284 1.00 60.44 A ATOM 550 HN ARG 34 -15.834 -10.820 1.187 1.00 10.44 A ATOM 551 CA ARG 34 -14.475 -10.074 -0.254 1.00 74.21 A ATOM 552 HA ARG 34 -14.518 -9.034 -0.540 1.00 64.03 A ATOM 553 CB ARG 34 -13.391 -10.254 0.810 1.00 12.11 A ATOM 554 HB1 ARG 34 -13.476 -11.245 1.229 1.00 61.20 A ATOM 555 HB2 ARG 34 -13.547 -9.526 1.593 1.00 34.30 A ATOM 556 CG ARG 34 -11.979 -10.082 0.276 1.00 42.52 A ATOM 557 HG1 ARG 34 -11.944 -9.197 -0.343 1.00 25.13 A ATOM 558 HG2 ARG 34 -11.719 -10.947 -0.315 1.00 72.43 A ATOM 559 CD ARG 34 -10.970 -9.937 1.404 1.00 20.04 A ATOM 560 HD1 ARG 34 -11.134 -8.990 1.896 1.00 4.30 A ATOM 561 HD2 ARG 34 -9.975 -9.958 0.985 1.00 12.31 A ATOM 562 NE ARG 34 -11.092 -11.010 2.388 1.00 2.41 A ATOM 563 HE ARG 34 -11.582 -11.815 2.123 1.00 72.01 A ATOM 564 CZ ARG 34 -10.576 -10.948 3.611 1.00 41.34 A ATOM 565 NH1 ARG 34 -9.907 -9.870 3.998 1.00 72.33 A ATOM 566 HH11 ARG 34 -9.791 -9.102 3.369 1.00 71.05 A ATOM 567 HH12 ARG 34 -9.521 -9.826 4.919 1.00 3.33 A ATOM 568 NH2 ARG 34 -10.729 -11.965 4.449 1.00 51.30 A ATOM 569 HH21 ARG 34 -11.233 -12.778 4.161 1.00 62.52 A ATOM 570 HH22 ARG 34 -10.340 -11.917 5.369 1.00 74.34 A ATOM 571 C ARG 34 -14.138 -10.910 -1.485 1.00 60.04 A ATOM 572 O ARG 34 -13.531 -10.417 -2.435 1.00 43.32 A ATOM 573 N ALA 35 -14.536 -12.178 -1.461 1.00 2.13 A ATOM 574 HN ALA 35 -15.016 -12.513 -0.675 1.00 42.11 A ATOM 575 CA ALA 35 -14.277 -13.081 -2.575 1.00 31.52 A ATOM 576 HA ALA 35 -13.236 -12.986 -2.847 1.00 24.32 A ATOM 577 CB ALA 35 -14.526 -14.522 -2.154 1.00 62.43 A ATOM 578 HB1 ALA 35 -13.648 -15.115 -2.367 1.00 22.10 A ATOM 579 HB2 ALA 35 -14.736 -14.557 -1.096 1.00 34.11 A ATOM 580 HB3 ALA 35 -15.368 -14.917 -2.703 1.00 10.23 A ATOM 581 C ALA 35 -15.137 -12.725 -3.782 1.00 54.32 A ATOM 582 O ALA 35 -14.636 -12.606 -4.901 1.00 15.01 A ATOM 583 N HIS 36 -16.435 -12.556 -3.549 1.00 52.51 A ATOM 584 HN HIS 36 -16.775 -12.664 -2.636 1.00 43.35 A ATOM 585 CA HIS 36 -17.366 -12.212 -4.619 1.00 24.33 A ATOM 586 HA HIS 36 -17.328 -13.000 -5.356 1.00 52.41 A ATOM 587 CB HIS 36 -18.790 -12.110 -4.071 1.00 64.54 A ATOM 588 HB1 HIS 36 -18.802 -11.416 -3.244 1.00 3.31 A ATOM 589 HB2 HIS 36 -19.105 -13.083 -3.723 1.00 63.11 A ATOM 590 CG HIS 36 -19.788 -11.639 -5.084 1.00 31.55 A ATOM 591 ND1 HIS 36 -20.140 -12.378 -6.194 1.00 3.31 A ATOM 592 HD1 HIS 36 -19.784 -13.259 -6.431 1.00 41.02 A ATOM 593 CD2 HIS 36 -20.513 -10.498 -5.148 1.00 4.13 A ATOM 594 HD2 HIS 36 -20.491 -9.684 -4.437 1.00 14.50 A ATOM 595 CE1 HIS 36 -21.036 -11.710 -6.898 1.00 41.21 A ATOM 596 HE1 HIS 36 -21.492 -12.042 -7.818 1.00 73.05 A ATOM 597 NE2 HIS 36 -21.280 -10.566 -6.284 1.00 41.15 A ATOM 598 HE2 HIS 36 -21.973 -9.923 -6.542 1.00 37.52 A ATOM 599 C HIS 36 -16.968 -10.898 -5.283 1.00 53.33 A ATOM 600 O HIS 36 -17.213 -10.692 -6.473 1.00 32.40 A ATOM 601 N LEU 37 -16.355 -10.010 -4.508 1.00 61.21 A ATOM 602 HN LEU 37 -16.187 -10.230 -3.568 1.00 73.55 A ATOM 603 CA LEU 37 -15.924 -8.714 -5.021 1.00 70.44 A ATOM 604 HA LEU 37 -16.701 -8.341 -5.672 1.00 1.22 A ATOM 605 CB LEU 37 -15.722 -7.729 -3.869 1.00 41.00 A ATOM 606 HB1 LEU 37 -15.009 -8.165 -3.184 1.00 3.33 A ATOM 607 HB2 LEU 37 -16.670 -7.607 -3.369 1.00 11.54 A ATOM 608 CG LEU 37 -15.214 -6.340 -4.255 1.00 44.44 A ATOM 609 HG LEU 37 -14.361 -6.445 -4.912 1.00 52.24 A ATOM 610 CD1 LEU 37 -16.289 -5.567 -5.003 1.00 41.32 A ATOM 611 HD11 LEU 37 -16.923 -6.258 -5.537 1.00 15.21 A ATOM 612 HD12 LEU 37 -15.824 -4.890 -5.705 1.00 3.15 A ATOM 613 HD13 LEU 37 -16.882 -5.002 -4.299 1.00 33.44 A ATOM 614 CD2 LEU 37 -14.765 -5.573 -3.020 1.00 32.03 A ATOM 615 HD21 LEU 37 -15.483 -4.797 -2.798 1.00 33.54 A ATOM 616 HD22 LEU 37 -13.799 -5.126 -3.204 1.00 62.42 A ATOM 617 HD23 LEU 37 -14.695 -6.250 -2.182 1.00 35.34 A ATOM 618 C LEU 37 -14.634 -8.848 -5.823 1.00 65.25 A ATOM 619 O LEU 37 -14.485 -8.244 -6.885 1.00 14.51 A ATOM 620 N ALA 38 -13.703 -9.646 -5.309 1.00 73.02 A ATOM 621 HN ALA 38 -13.880 -10.101 -4.460 1.00 12.34 A ATOM 622 CA ALA 38 -12.427 -9.863 -5.980 1.00 13.24 A ATOM 623 HA ALA 38 -11.953 -8.901 -6.114 1.00 55.04 A ATOM 624 CB ALA 38 -11.516 -10.721 -5.115 1.00 30.31 A ATOM 625 HB1 ALA 38 -11.822 -10.642 -4.082 1.00 12.02 A ATOM 626 HB2 ALA 38 -11.584 -11.751 -5.433 1.00 4.11 A ATOM 627 HB3 ALA 38 -10.497 -10.379 -5.216 1.00 11.10 A ATOM 628 C ALA 38 -12.628 -10.510 -7.346 1.00 23.45 A ATOM 629 O ALA 38 -12.157 -9.999 -8.362 1.00 13.01 A ATOM 630 N LYS 39 -13.328 -11.639 -7.363 1.00 35.12 A ATOM 631 HN LYS 39 -13.678 -11.998 -6.520 1.00 2.45 A ATOM 632 CA LYS 39 -13.592 -12.358 -8.604 1.00 13.51 A ATOM 633 HA LYS 39 -12.645 -12.682 -9.007 1.00 71.21 A ATOM 634 CB LYS 39 -14.465 -13.585 -8.331 1.00 41.23 A ATOM 635 HB1 LYS 39 -14.037 -14.140 -7.509 1.00 62.42 A ATOM 636 HB2 LYS 39 -14.471 -14.210 -9.212 1.00 12.00 A ATOM 637 CG LYS 39 -15.902 -13.243 -7.978 1.00 71.03 A ATOM 638 HG1 LYS 39 -16.342 -12.688 -8.795 1.00 64.53 A ATOM 639 HG2 LYS 39 -15.910 -12.637 -7.085 1.00 5.14 A ATOM 640 CD LYS 39 -16.728 -14.494 -7.730 1.00 70.14 A ATOM 641 HD1 LYS 39 -17.603 -14.229 -7.153 1.00 5.00 A ATOM 642 HD2 LYS 39 -16.132 -15.205 -7.178 1.00 20.12 A ATOM 643 CE LYS 39 -17.173 -15.136 -9.036 1.00 11.15 A ATOM 644 HE1 LYS 39 -16.310 -15.563 -9.524 1.00 43.00 A ATOM 645 HE2 LYS 39 -17.604 -14.375 -9.667 1.00 42.54 A ATOM 646 NZ LYS 39 -18.182 -16.208 -8.811 1.00 14.52 A ATOM 647 HZ1 LYS 39 -19.140 -15.802 -8.811 1.00 11.40 A ATOM 648 HZ2 LYS 39 -18.015 -16.670 -7.895 1.00 4.14 A ATOM 649 HZ3 LYS 39 -18.120 -16.921 -9.564 1.00 62.52 A ATOM 650 C LYS 39 -14.276 -11.451 -9.623 1.00 3.04 A ATOM 651 O LYS 39 -14.102 -11.616 -10.829 1.00 74.52 A ATOM 652 N ASN 40 -15.052 -10.492 -9.128 1.00 4.10 A ATOM 653 HN ASN 40 -15.151 -10.410 -8.156 1.00 65.14 A ATOM 654 CA ASN 40 -15.760 -9.558 -9.996 1.00 32.41 A ATOM 655 HA ASN 40 -16.275 -10.133 -10.751 1.00 21.31 A ATOM 656 CB ASN 40 -16.788 -8.761 -9.191 1.00 34.13 A ATOM 657 HB1 ASN 40 -16.903 -7.783 -9.633 1.00 13.14 A ATOM 658 HB2 ASN 40 -16.436 -8.654 -8.175 1.00 34.01 A ATOM 659 CG ASN 40 -18.146 -9.436 -9.158 1.00 11.15 A ATOM 660 OD1 ASN 40 -18.399 -10.384 -9.901 1.00 24.32 A ATOM 661 ND2 ASN 40 -19.028 -8.948 -8.293 1.00 30.11 A ATOM 662 HD21 ASN 40 -18.757 -8.191 -7.733 1.00 14.25 A ATOM 663 HD22 ASN 40 -19.913 -9.366 -8.250 1.00 74.01 A ATOM 664 C ASN 40 -14.785 -8.606 -10.682 1.00 13.05 A ATOM 665 O ASN 40 -15.048 -8.116 -11.780 1.00 54.54 A ATOM 666 N LEU 41 -13.659 -8.349 -10.026 1.00 43.13 A ATOM 667 HN LEU 41 -13.505 -8.769 -9.155 1.00 32.21 A ATOM 668 CA LEU 41 -12.643 -7.456 -10.572 1.00 42.45 A ATOM 669 HA LEU 41 -13.044 -7.007 -11.469 1.00 65.44 A ATOM 670 CB LEU 41 -12.313 -6.351 -9.567 1.00 54.32 A ATOM 671 HB1 LEU 41 -11.770 -5.578 -10.093 1.00 30.15 A ATOM 672 HB2 LEU 41 -11.681 -6.776 -8.803 1.00 72.53 A ATOM 673 CG LEU 41 -13.509 -5.696 -8.874 1.00 42.32 A ATOM 674 HG LEU 41 -14.121 -6.465 -8.424 1.00 14.42 A ATOM 675 CD1 LEU 41 -13.039 -4.763 -7.768 1.00 75.04 A ATOM 676 HD11 LEU 41 -12.654 -3.854 -8.204 1.00 15.50 A ATOM 677 HD12 LEU 41 -12.261 -5.246 -7.196 1.00 51.05 A ATOM 678 HD13 LEU 41 -13.870 -4.529 -7.119 1.00 11.52 A ATOM 679 CD2 LEU 41 -14.363 -4.942 -9.883 1.00 71.21 A ATOM 680 HD21 LEU 41 -15.273 -4.609 -9.406 1.00 3.41 A ATOM 681 HD22 LEU 41 -14.608 -5.597 -10.707 1.00 54.21 A ATOM 682 HD23 LEU 41 -13.815 -4.088 -10.252 1.00 13.12 A ATOM 683 C LEU 41 -11.376 -8.226 -10.932 1.00 33.14 A ATOM 684 O LEU 41 -10.291 -7.652 -11.020 1.00 40.34 A ATOM 685 N LYS 42 -11.522 -9.530 -11.139 1.00 74.33 A ATOM 686 HN LYS 42 -12.413 -9.931 -11.054 1.00 14.03 A ATOM 687 CA LYS 42 -10.392 -10.381 -11.493 1.00 1.34 A ATOM 688 HA LYS 42 -10.712 -11.408 -11.411 1.00 65.41 A ATOM 689 CB LYS 42 -9.953 -10.108 -12.933 1.00 62.11 A ATOM 690 HB1 LYS 42 -9.256 -10.876 -13.236 1.00 20.52 A ATOM 691 HB2 LYS 42 -9.457 -9.150 -12.970 1.00 45.52 A ATOM 692 CG LYS 42 -11.102 -10.089 -13.926 1.00 31.10 A ATOM 693 HG1 LYS 42 -12.023 -10.301 -13.401 1.00 2.00 A ATOM 694 HG2 LYS 42 -10.931 -10.847 -14.676 1.00 22.12 A ATOM 695 CD LYS 42 -11.224 -8.739 -14.612 1.00 14.44 A ATOM 696 HD1 LYS 42 -10.296 -8.198 -14.491 1.00 14.14 A ATOM 697 HD2 LYS 42 -12.029 -8.183 -14.153 1.00 21.11 A ATOM 698 CE LYS 42 -11.518 -8.892 -16.096 1.00 43.22 A ATOM 699 HE1 LYS 42 -11.803 -9.915 -16.289 1.00 60.45 A ATOM 700 HE2 LYS 42 -10.623 -8.657 -16.653 1.00 15.54 A ATOM 701 NZ LYS 42 -12.616 -7.990 -16.540 1.00 75.14 A ATOM 702 HZ1 LYS 42 -13.206 -7.718 -15.727 1.00 45.15 A ATOM 703 HZ2 LYS 42 -13.214 -8.474 -17.241 1.00 13.55 A ATOM 704 HZ3 LYS 42 -12.221 -7.131 -16.972 1.00 53.40 A ATOM 705 C LYS 42 -9.221 -10.153 -10.541 1.00 54.35 A ATOM 706 O LYS 42 -8.063 -10.139 -10.959 1.00 25.32 A ATOM 707 N LEU 43 -9.531 -9.975 -9.262 1.00 21.21 A ATOM 708 HN LEU 43 -10.472 -9.996 -8.990 1.00 24.34 A ATOM 709 CA LEU 43 -8.504 -9.749 -8.251 1.00 30.45 A ATOM 710 HA LEU 43 -7.559 -9.628 -8.759 1.00 72.32 A ATOM 711 CB LEU 43 -8.811 -8.477 -7.459 1.00 41.21 A ATOM 712 HB1 LEU 43 -8.277 -8.535 -6.521 1.00 43.34 A ATOM 713 HB2 LEU 43 -9.872 -8.456 -7.266 1.00 13.24 A ATOM 714 CG LEU 43 -8.432 -7.158 -8.135 1.00 30.42 A ATOM 715 HG LEU 43 -8.937 -7.092 -9.089 1.00 22.11 A ATOM 716 CD1 LEU 43 -8.876 -5.977 -7.287 1.00 13.14 A ATOM 717 HD11 LEU 43 -9.035 -6.303 -6.270 1.00 71.20 A ATOM 718 HD12 LEU 43 -9.797 -5.575 -7.684 1.00 4.33 A ATOM 719 HD13 LEU 43 -8.113 -5.213 -7.305 1.00 64.23 A ATOM 720 CD2 LEU 43 -6.933 -7.101 -8.389 1.00 42.01 A ATOM 721 HD21 LEU 43 -6.753 -6.935 -9.441 1.00 3.11 A ATOM 722 HD22 LEU 43 -6.481 -8.036 -8.090 1.00 0.21 A ATOM 723 HD23 LEU 43 -6.502 -6.293 -7.818 1.00 5.34 A ATOM 724 C LEU 43 -8.403 -10.940 -7.302 1.00 42.31 A ATOM 725 O LEU 43 -9.164 -11.901 -7.411 1.00 33.41 A ATOM 726 N THR 44 -7.458 -10.868 -6.369 1.00 71.04 A ATOM 727 HN THR 44 -6.882 -10.076 -6.334 1.00 15.24 A ATOM 728 CA THR 44 -7.258 -11.938 -5.401 1.00 24.42 A ATOM 729 HA THR 44 -7.858 -12.782 -5.707 1.00 72.54 A ATOM 730 CB THR 44 -5.784 -12.385 -5.354 1.00 11.10 A ATOM 731 HB THR 44 -5.721 -13.307 -4.794 1.00 61.34 A ATOM 732 OG1 THR 44 -4.990 -11.387 -4.701 1.00 75.55 A ATOM 733 HG1 THR 44 -4.108 -11.733 -4.544 1.00 14.12 A ATOM 734 CG2 THR 44 -5.248 -12.629 -6.756 1.00 61.44 A ATOM 735 HG21 THR 44 -4.510 -11.878 -6.996 1.00 52.10 A ATOM 736 HG22 THR 44 -6.060 -12.577 -7.466 1.00 42.44 A ATOM 737 HG23 THR 44 -4.793 -13.607 -6.802 1.00 22.22 A ATOM 738 C THR 44 -7.690 -11.505 -4.005 1.00 0.22 A ATOM 739 O THR 44 -7.654 -10.320 -3.675 1.00 20.14 A ATOM 740 N GLU 45 -8.098 -12.472 -3.189 1.00 62.34 A ATOM 741 HN GLU 45 -8.104 -13.398 -3.511 1.00 21.02 A ATOM 742 CA GLU 45 -8.537 -12.189 -1.828 1.00 52.42 A ATOM 743 HA GLU 45 -9.454 -11.621 -1.887 1.00 63.31 A ATOM 744 CB GLU 45 -8.807 -13.492 -1.074 1.00 11.04 A ATOM 745 HB1 GLU 45 -8.679 -13.314 -0.016 1.00 34.00 A ATOM 746 HB2 GLU 45 -8.091 -14.234 -1.393 1.00 65.13 A ATOM 747 CG GLU 45 -10.203 -14.047 -1.298 1.00 74.52 A ATOM 748 HG1 GLU 45 -10.421 -14.022 -2.356 1.00 31.51 A ATOM 749 HG2 GLU 45 -10.913 -13.427 -0.771 1.00 61.33 A ATOM 750 CD GLU 45 -10.350 -15.474 -0.807 1.00 24.54 A ATOM 751 OE1 GLU 45 -9.458 -15.942 -0.068 1.00 33.41 A ATOM 752 OE2 GLU 45 -11.356 -16.123 -1.161 1.00 74.10 A ATOM 753 C GLU 45 -7.495 -11.362 -1.081 1.00 45.01 A ATOM 754 O GLU 45 -7.829 -10.566 -0.202 1.00 65.53 A ATOM 755 N THR 46 -6.228 -11.556 -1.436 1.00 72.44 A ATOM 756 HN THR 46 -6.025 -12.204 -2.143 1.00 54.14 A ATOM 757 CA THR 46 -5.136 -10.832 -0.800 1.00 1.53 A ATOM 758 HA THR 46 -5.319 -10.819 0.265 1.00 75.31 A ATOM 759 CB THR 46 -3.782 -11.523 -1.049 1.00 12.00 A ATOM 760 HB THR 46 -3.589 -11.529 -2.112 1.00 61.42 A ATOM 761 OG1 THR 46 -3.827 -12.873 -0.574 1.00 61.22 A ATOM 762 HG1 THR 46 -3.808 -13.476 -1.321 1.00 72.14 A ATOM 763 CG2 THR 46 -2.655 -10.773 -0.355 1.00 14.04 A ATOM 764 HG21 THR 46 -3.068 -10.124 0.403 1.00 14.13 A ATOM 765 HG22 THR 46 -2.116 -10.182 -1.080 1.00 22.31 A ATOM 766 HG23 THR 46 -1.983 -11.481 0.106 1.00 42.33 A ATOM 767 C THR 46 -5.061 -9.395 -1.305 1.00 63.41 A ATOM 768 O THR 46 -4.912 -8.459 -0.520 1.00 64.33 A ATOM 769 N GLN 47 -5.166 -9.229 -2.620 1.00 24.34 A ATOM 770 HN GLN 47 -5.283 -10.015 -3.193 1.00 10.32 A ATOM 771 CA GLN 47 -5.109 -7.906 -3.229 1.00 13.32 A ATOM 772 HA GLN 47 -4.157 -7.464 -2.975 1.00 35.41 A ATOM 773 CB GLN 47 -5.216 -8.017 -4.751 1.00 3.43 A ATOM 774 HB1 GLN 47 -5.591 -7.083 -5.142 1.00 54.23 A ATOM 775 HB2 GLN 47 -5.911 -8.806 -4.995 1.00 11.35 A ATOM 776 CG GLN 47 -3.891 -8.320 -5.433 1.00 35.24 A ATOM 777 HG1 GLN 47 -3.692 -9.378 -5.348 1.00 30.24 A ATOM 778 HG2 GLN 47 -3.109 -7.766 -4.935 1.00 33.53 A ATOM 779 CD GLN 47 -3.891 -7.943 -6.901 1.00 11.31 A ATOM 780 OE1 GLN 47 -3.836 -8.807 -7.776 1.00 25.21 A ATOM 781 NE2 GLN 47 -3.953 -6.646 -7.179 1.00 15.20 A ATOM 782 HE21 GLN 47 -3.994 -6.014 -6.430 1.00 53.23 A ATOM 783 HE22 GLN 47 -3.954 -6.374 -8.119 1.00 41.44 A ATOM 784 C GLN 47 -6.223 -7.012 -2.693 1.00 71.11 A ATOM 785 O GLN 47 -5.971 -5.903 -2.223 1.00 11.34 A ATOM 786 N VAL 48 -7.456 -7.503 -2.768 1.00 54.41 A ATOM 787 HN VAL 48 -7.594 -8.393 -3.153 1.00 61.04 A ATOM 788 CA VAL 48 -8.609 -6.749 -2.290 1.00 53.11 A ATOM 789 HA VAL 48 -8.741 -5.894 -2.938 1.00 35.32 A ATOM 790 CB VAL 48 -9.894 -7.597 -2.340 1.00 51.21 A ATOM 791 HB VAL 48 -9.756 -8.461 -1.707 1.00 62.02 A ATOM 792 CG1 VAL 48 -11.079 -6.803 -1.810 1.00 24.42 A ATOM 793 HG11 VAL 48 -10.877 -5.747 -1.910 1.00 15.21 A ATOM 794 HG12 VAL 48 -11.964 -7.058 -2.374 1.00 12.33 A ATOM 795 HG13 VAL 48 -11.234 -7.042 -0.768 1.00 21.11 A ATOM 796 CG2 VAL 48 -10.158 -8.081 -3.758 1.00 42.40 A ATOM 797 HG21 VAL 48 -10.045 -7.256 -4.446 1.00 15.33 A ATOM 798 HG22 VAL 48 -9.452 -8.858 -4.011 1.00 24.32 A ATOM 799 HG23 VAL 48 -11.162 -8.472 -3.825 1.00 11.54 A ATOM 800 C VAL 48 -8.392 -6.259 -0.863 1.00 11.31 A ATOM 801 O VAL 48 -8.770 -5.140 -0.514 1.00 70.03 A ATOM 802 N LYS 49 -7.780 -7.103 -0.040 1.00 30.41 A ATOM 803 HN LYS 49 -7.502 -7.982 -0.376 1.00 52.44 A ATOM 804 CA LYS 49 -7.510 -6.757 1.350 1.00 23.14 A ATOM 805 HA LYS 49 -8.439 -6.442 1.801 1.00 61.53 A ATOM 806 CB LYS 49 -6.977 -7.976 2.107 1.00 71.22 A ATOM 807 HB1 LYS 49 -5.962 -8.167 1.789 1.00 1.31 A ATOM 808 HB2 LYS 49 -7.588 -8.832 1.862 1.00 72.34 A ATOM 809 CG LYS 49 -6.980 -7.805 3.616 1.00 43.40 A ATOM 810 HG1 LYS 49 -8.002 -7.810 3.968 1.00 44.21 A ATOM 811 HG2 LYS 49 -6.517 -6.860 3.863 1.00 72.52 A ATOM 812 CD LYS 49 -6.214 -8.922 4.306 1.00 55.44 A ATOM 813 HD1 LYS 49 -6.301 -9.823 3.715 1.00 2.03 A ATOM 814 HD2 LYS 49 -6.641 -9.088 5.284 1.00 43.12 A ATOM 815 CE LYS 49 -4.742 -8.573 4.464 1.00 34.43 A ATOM 816 HE1 LYS 49 -4.658 -7.523 4.699 1.00 11.45 A ATOM 817 HE2 LYS 49 -4.236 -8.775 3.533 1.00 22.21 A ATOM 818 NZ LYS 49 -4.099 -9.366 5.548 1.00 23.02 A ATOM 819 HZ1 LYS 49 -4.651 -9.285 6.426 1.00 41.01 A ATOM 820 HZ2 LYS 49 -3.136 -9.015 5.724 1.00 0.43 A ATOM 821 HZ3 LYS 49 -4.046 -10.368 5.275 1.00 31.14 A ATOM 822 C LYS 49 -6.507 -5.612 1.441 1.00 44.53 A ATOM 823 O LYS 49 -6.744 -4.620 2.131 1.00 42.31 A ATOM 824 N ILE 50 -5.388 -5.754 0.739 1.00 65.42 A ATOM 825 HN ILE 50 -5.256 -6.567 0.208 1.00 35.52 A ATOM 826 CA ILE 50 -4.351 -4.730 0.738 1.00 24.04 A ATOM 827 HA ILE 50 -3.917 -4.694 1.728 1.00 74.33 A ATOM 828 CB ILE 50 -3.233 -5.060 -0.268 1.00 71.55 A ATOM 829 HB ILE 50 -3.672 -5.120 -1.253 1.00 1.43 A ATOM 830 CG1 ILE 50 -2.589 -6.406 0.074 1.00 15.31 A ATOM 831 HG11 ILE 50 -3.348 -7.071 0.459 1.00 34.52 A ATOM 832 HG12 ILE 50 -1.834 -6.254 0.828 1.00 24.44 A ATOM 833 CG2 ILE 50 -2.188 -3.955 -0.281 1.00 61.04 A ATOM 834 HG21 ILE 50 -1.201 -4.393 -0.311 1.00 71.14 A ATOM 835 HG22 ILE 50 -2.332 -3.335 -1.153 1.00 43.51 A ATOM 836 HG23 ILE 50 -2.288 -3.354 0.610 1.00 51.14 A ATOM 837 CD1 ILE 50 -1.935 -7.081 -1.110 1.00 63.34 A ATOM 838 HD11 ILE 50 -0.987 -7.502 -0.807 1.00 52.21 A ATOM 839 HD12 ILE 50 -2.577 -7.867 -1.478 1.00 52.21 A ATOM 840 HD13 ILE 50 -1.771 -6.355 -1.894 1.00 4.25 A ATOM 841 C ILE 50 -4.931 -3.360 0.405 1.00 74.13 A ATOM 842 O ILE 50 -4.609 -2.364 1.052 1.00 41.21 A ATOM 843 N TRP 51 -5.790 -3.319 -0.607 1.00 51.45 A ATOM 844 HN TRP 51 -6.007 -4.147 -1.085 1.00 14.20 A ATOM 845 CA TRP 51 -6.418 -2.070 -1.026 1.00 61.52 A ATOM 846 HA TRP 51 -5.638 -1.406 -1.367 1.00 4.00 A ATOM 847 CB TRP 51 -7.391 -2.327 -2.178 1.00 41.52 A ATOM 848 HB1 TRP 51 -8.138 -3.038 -1.857 1.00 60.00 A ATOM 849 HB2 TRP 51 -6.847 -2.735 -3.017 1.00 31.24 A ATOM 850 CG TRP 51 -8.098 -1.090 -2.644 1.00 74.11 A ATOM 851 CD1 TRP 51 -7.606 -0.131 -3.483 1.00 34.12 A ATOM 852 HD1 TRP 51 -6.620 -0.154 -3.920 1.00 40.20 A ATOM 853 CD2 TRP 51 -9.425 -0.679 -2.296 1.00 20.21 A ATOM 854 NE1 TRP 51 -8.547 0.851 -3.677 1.00 13.31 A ATOM 855 HE1 TRP 51 -8.432 1.646 -4.239 1.00 3.32 A ATOM 856 CE2 TRP 51 -9.672 0.538 -2.960 1.00 40.14 A ATOM 857 CE3 TRP 51 -10.429 -1.222 -1.489 1.00 42.23 A ATOM 858 HE3 TRP 51 -10.280 -2.153 -0.963 1.00 2.14 A ATOM 859 CZ2 TRP 51 -10.880 1.219 -2.840 1.00 52.45 A ATOM 860 HZ2 TRP 51 -11.064 2.152 -3.353 1.00 42.33 A ATOM 861 CZ3 TRP 51 -11.627 -0.544 -1.371 1.00 73.21 A ATOM 862 HZ3 TRP 51 -12.415 -0.948 -0.752 1.00 23.04 A ATOM 863 CH2 TRP 51 -11.845 0.665 -2.044 1.00 53.31 A ATOM 864 HH2 TRP 51 -12.796 1.160 -1.923 1.00 15.15 A ATOM 865 C TRP 51 -7.151 -1.413 0.138 1.00 43.52 A ATOM 866 O TRP 51 -6.834 -0.288 0.528 1.00 61.54 A ATOM 867 N PHE 52 -8.132 -2.119 0.689 1.00 25.44 A ATOM 868 HN PHE 52 -8.337 -3.010 0.334 1.00 11.23 A ATOM 869 CA PHE 52 -8.910 -1.603 1.809 1.00 1.21 A ATOM 870 HA PHE 52 -9.520 -0.792 1.442 1.00 62.04 A ATOM 871 CB PHE 52 -9.821 -2.696 2.372 1.00 5.12 A ATOM 872 HB1 PHE 52 -9.960 -2.528 3.429 1.00 34.34 A ATOM 873 HB2 PHE 52 -9.352 -3.657 2.223 1.00 60.00 A ATOM 874 CG PHE 52 -11.176 -2.739 1.726 1.00 2.21 A ATOM 875 CD1 PHE 52 -11.469 -3.691 0.763 1.00 11.13 A ATOM 876 HD1 PHE 52 -10.712 -4.408 0.478 1.00 5.45 A ATOM 877 CD2 PHE 52 -12.156 -1.826 2.081 1.00 33.44 A ATOM 878 HD2 PHE 52 -11.939 -1.079 2.831 1.00 60.35 A ATOM 879 CE1 PHE 52 -12.715 -3.733 0.167 1.00 35.31 A ATOM 880 HE1 PHE 52 -12.930 -4.480 -0.583 1.00 34.55 A ATOM 881 CE2 PHE 52 -13.404 -1.864 1.489 1.00 34.30 A ATOM 882 HE2 PHE 52 -14.160 -1.147 1.774 1.00 21.42 A ATOM 883 CZ PHE 52 -13.684 -2.818 0.530 1.00 61.12 A ATOM 884 HZ PHE 52 -14.658 -2.850 0.066 1.00 54.11 A ATOM 885 C PHE 52 -7.995 -1.071 2.908 1.00 22.34 A ATOM 886 O PHE 52 -8.339 -0.121 3.610 1.00 0.23 A ATOM 887 N GLN 53 -6.829 -1.693 3.051 1.00 4.31 A ATOM 888 HN GLN 53 -6.612 -2.444 2.461 1.00 1.21 A ATOM 889 CA GLN 53 -5.865 -1.283 4.065 1.00 25.25 A ATOM 890 HA GLN 53 -6.395 -1.166 4.998 1.00 22.13 A ATOM 891 CB GLN 53 -4.787 -2.355 4.237 1.00 30.34 A ATOM 892 HB1 GLN 53 -4.226 -2.435 3.318 1.00 24.12 A ATOM 893 HB2 GLN 53 -5.266 -3.301 4.440 1.00 33.34 A ATOM 894 CG GLN 53 -3.812 -2.063 5.367 1.00 52.54 A ATOM 895 HG1 GLN 53 -4.318 -1.474 6.118 1.00 50.24 A ATOM 896 HG2 GLN 53 -2.980 -1.500 4.970 1.00 51.10 A ATOM 897 CD GLN 53 -3.277 -3.323 6.017 1.00 10.11 A ATOM 898 OE1 GLN 53 -2.066 -3.501 6.149 1.00 2.23 A ATOM 899 NE2 GLN 53 -4.179 -4.206 6.428 1.00 73.43 A ATOM 900 HE21 GLN 53 -5.127 -3.998 6.288 1.00 33.12 A ATOM 901 HE22 GLN 53 -3.861 -5.030 6.851 1.00 73.12 A ATOM 902 C GLN 53 -5.219 0.049 3.697 1.00 32.40 A ATOM 903 O GLN 53 -5.021 0.911 4.552 1.00 61.31 A ATOM 904 N ASN 54 -4.893 0.209 2.419 1.00 53.05 A ATOM 905 HN ASN 54 -5.076 -0.515 1.784 1.00 54.23 A ATOM 906 CA ASN 54 -4.269 1.436 1.937 1.00 11.00 A ATOM 907 HA ASN 54 -3.402 1.630 2.551 1.00 71.54 A ATOM 908 CB ASN 54 -3.823 1.269 0.483 1.00 4.22 A ATOM 909 HB1 ASN 54 -3.712 2.244 0.032 1.00 34.22 A ATOM 910 HB2 ASN 54 -4.574 0.710 -0.056 1.00 3.12 A ATOM 911 CG ASN 54 -2.502 0.533 0.365 1.00 71.13 A ATOM 912 OD1 ASN 54 -1.696 0.527 1.295 1.00 11.52 A ATOM 913 ND2 ASN 54 -2.275 -0.093 -0.784 1.00 60.22 A ATOM 914 HD21 ASN 54 -2.962 -0.046 -1.481 1.00 53.24 A ATOM 915 HD22 ASN 54 -1.429 -0.578 -0.887 1.00 54.35 A ATOM 916 C ASN 54 -5.228 2.616 2.054 1.00 55.52 A ATOM 917 O ASN 54 -4.867 3.674 2.570 1.00 14.21 A ATOM 918 N ARG 55 -6.452 2.427 1.571 1.00 12.33 A ATOM 919 HN ARG 55 -6.680 1.562 1.172 1.00 54.05 A ATOM 920 CA ARG 55 -7.464 3.476 1.621 1.00 43.21 A ATOM 921 HA ARG 55 -7.150 4.271 0.961 1.00 2.44 A ATOM 922 CB ARG 55 -8.813 2.936 1.142 1.00 3.43 A ATOM 923 HB1 ARG 55 -9.525 3.748 1.123 1.00 63.53 A ATOM 924 HB2 ARG 55 -9.154 2.185 1.839 1.00 73.32 A ATOM 925 CG ARG 55 -8.762 2.313 -0.243 1.00 75.00 A ATOM 926 HG1 ARG 55 -9.763 2.034 -0.538 1.00 61.41 A ATOM 927 HG2 ARG 55 -8.136 1.434 -0.210 1.00 21.13 A ATOM 928 CD ARG 55 -8.196 3.281 -1.269 1.00 44.34 A ATOM 929 HD1 ARG 55 -8.146 2.783 -2.226 1.00 34.32 A ATOM 930 HD2 ARG 55 -7.201 3.569 -0.962 1.00 53.43 A ATOM 931 NE ARG 55 -9.017 4.482 -1.402 1.00 20.35 A ATOM 932 HE ARG 55 -9.819 4.547 -0.842 1.00 65.12 A ATOM 933 CZ ARG 55 -8.734 5.478 -2.233 1.00 3.21 A ATOM 934 NH1 ARG 55 -7.656 5.418 -3.002 1.00 64.13 A ATOM 935 HH11 ARG 55 -7.054 4.620 -2.957 1.00 54.34 A ATOM 936 HH12 ARG 55 -7.445 6.169 -3.628 1.00 52.14 A ATOM 937 NH2 ARG 55 -9.530 6.538 -2.296 1.00 70.33 A ATOM 938 HH21 ARG 55 -10.344 6.587 -1.718 1.00 62.50 A ATOM 939 HH22 ARG 55 -9.316 7.287 -2.922 1.00 40.01 A ATOM 940 C ARG 55 -7.599 4.034 3.035 1.00 55.04 A ATOM 941 O ARG 55 -7.506 5.243 3.247 1.00 3.02 A ATOM 942 N ARG 56 -7.821 3.145 3.997 1.00 34.02 A ATOM 943 HN ARG 56 -7.886 2.195 3.765 1.00 33.13 A ATOM 944 CA ARG 56 -7.972 3.549 5.390 1.00 20.50 A ATOM 945 HA ARG 56 -8.848 4.176 5.461 1.00 62.10 A ATOM 946 CB ARG 56 -8.166 2.320 6.281 1.00 54.21 A ATOM 947 HB1 ARG 56 -7.932 2.589 7.300 1.00 63.12 A ATOM 948 HB2 ARG 56 -7.489 1.544 5.957 1.00 71.33 A ATOM 949 CG ARG 56 -9.580 1.762 6.249 1.00 42.11 A ATOM 950 HG1 ARG 56 -9.833 1.508 5.231 1.00 72.24 A ATOM 951 HG2 ARG 56 -10.263 2.515 6.615 1.00 65.31 A ATOM 952 CD ARG 56 -9.708 0.520 7.116 1.00 21.51 A ATOM 953 HD1 ARG 56 -9.198 -0.298 6.628 1.00 51.40 A ATOM 954 HD2 ARG 56 -10.755 0.278 7.223 1.00 22.22 A ATOM 955 NE ARG 56 -9.129 0.716 8.442 1.00 21.35 A ATOM 956 HE ARG 56 -8.250 0.319 8.617 1.00 13.43 A ATOM 957 CZ ARG 56 -9.728 1.398 9.412 1.00 21.43 A ATOM 958 NH1 ARG 56 -10.917 1.945 9.205 1.00 15.21 A ATOM 959 HH11 ARG 56 -11.365 1.844 8.317 1.00 54.41 A ATOM 960 HH12 ARG 56 -11.367 2.457 9.937 1.00 10.25 A ATOM 961 NH2 ARG 56 -9.137 1.532 10.593 1.00 52.42 A ATOM 962 HH21 ARG 56 -8.241 1.121 10.753 1.00 65.31 A ATOM 963 HH22 ARG 56 -9.589 2.046 11.322 1.00 64.21 A ATOM 964 C ARG 56 -6.758 4.344 5.860 1.00 65.11 A ATOM 965 O ARG 56 -6.852 5.153 6.783 1.00 51.41 A ATOM 966 N TYR 57 -5.618 4.107 5.219 1.00 12.35 A ATOM 967 HN TYR 57 -5.606 3.451 4.492 1.00 24.32 A ATOM 968 CA TYR 57 -4.384 4.799 5.574 1.00 54.14 A ATOM 969 HA TYR 57 -4.387 4.956 6.642 1.00 31.13 A ATOM 970 CB TYR 57 -3.171 3.945 5.201 1.00 53.33 A ATOM 971 HB1 TYR 57 -3.175 3.773 4.134 1.00 31.24 A ATOM 972 HB2 TYR 57 -3.235 2.998 5.714 1.00 42.13 A ATOM 973 CG TYR 57 -1.849 4.581 5.564 1.00 45.41 A ATOM 974 CD1 TYR 57 -1.451 4.696 6.890 1.00 21.01 A ATOM 975 HD1 TYR 57 -2.103 4.323 7.667 1.00 24.20 A ATOM 976 CD2 TYR 57 -0.996 5.067 4.580 1.00 2.11 A ATOM 977 HD2 TYR 57 -1.289 4.985 3.544 1.00 74.15 A ATOM 978 CE1 TYR 57 -0.244 5.277 7.226 1.00 3.23 A ATOM 979 HE1 TYR 57 0.047 5.358 8.263 1.00 25.42 A ATOM 980 CE2 TYR 57 0.214 5.649 4.907 1.00 61.51 A ATOM 981 HE2 TYR 57 0.864 6.020 4.128 1.00 14.52 A ATOM 982 CZ TYR 57 0.585 5.752 6.231 1.00 24.33 A ATOM 983 OH TYR 57 1.789 6.330 6.562 1.00 64.00 A ATOM 984 HH TYR 57 1.966 6.189 7.495 1.00 1.42 A ATOM 985 C TYR 57 -4.300 6.154 4.877 1.00 33.11 A ATOM 986 O TYR 57 -3.643 7.075 5.362 1.00 43.14 A ATOM 987 N LYS 58 -4.972 6.268 3.736 1.00 31.05 A ATOM 988 HN LYS 58 -5.478 5.498 3.401 1.00 73.10 A ATOM 989 CA LYS 58 -4.977 7.509 2.972 1.00 50.43 A ATOM 990 HA LYS 58 -3.986 7.934 3.022 1.00 62.34 A ATOM 991 CB LYS 58 -5.326 7.230 1.508 1.00 32.52 A ATOM 992 HB1 LYS 58 -5.588 8.162 1.028 1.00 22.25 A ATOM 993 HB2 LYS 58 -6.178 6.566 1.474 1.00 2.13 A ATOM 994 CG LYS 58 -4.193 6.592 0.724 1.00 62.43 A ATOM 995 HG1 LYS 58 -4.261 5.517 0.819 1.00 13.12 A ATOM 996 HG2 LYS 58 -3.251 6.931 1.129 1.00 40.15 A ATOM 997 CD LYS 58 -4.257 6.961 -0.749 1.00 5.33 A ATOM 998 HD1 LYS 58 -4.627 7.972 -0.841 1.00 52.43 A ATOM 999 HD2 LYS 58 -4.928 6.283 -1.253 1.00 32.51 A ATOM 1000 CE LYS 58 -2.887 6.875 -1.405 1.00 31.51 A ATOM 1001 HE1 LYS 58 -3.020 6.746 -2.469 1.00 71.20 A ATOM 1002 HE2 LYS 58 -2.363 6.022 -1.002 1.00 62.53 A ATOM 1003 NZ LYS 58 -2.077 8.100 -1.162 1.00 51.33 A ATOM 1004 HZ1 LYS 58 -1.331 7.903 -0.465 1.00 12.03 A ATOM 1005 HZ2 LYS 58 -2.683 8.863 -0.798 1.00 72.22 A ATOM 1006 HZ3 LYS 58 -1.634 8.417 -2.048 1.00 2.11 A ATOM 1007 C LYS 58 -5.969 8.507 3.560 1.00 14.12 A ATOM 1008 O LYS 58 -5.854 9.714 3.346 1.00 41.33 A ATOM 1009 N THR 59 -6.945 7.996 4.305 1.00 23.31 A ATOM 1010 HN THR 59 -6.984 7.026 4.439 1.00 25.24 A ATOM 1011 CA THR 59 -7.957 8.842 4.925 1.00 62.41 A ATOM 1012 HA THR 59 -8.519 9.322 4.137 1.00 64.43 A ATOM 1013 CB THR 59 -8.934 8.013 5.780 1.00 12.52 A ATOM 1014 HB THR 59 -9.670 8.681 6.207 1.00 63.44 A ATOM 1015 OG1 THR 59 -8.226 7.361 6.840 1.00 61.43 A ATOM 1016 HG1 THR 59 -7.487 6.868 6.475 1.00 60.34 A ATOM 1017 CG2 THR 59 -9.653 6.977 4.930 1.00 40.02 A ATOM 1018 HG21 THR 59 -8.995 6.140 4.750 1.00 61.23 A ATOM 1019 HG22 THR 59 -9.939 7.420 3.987 1.00 5.14 A ATOM 1020 HG23 THR 59 -10.535 6.635 5.449 1.00 15.32 A ATOM 1021 C THR 59 -7.317 9.914 5.799 1.00 22.35 A ATOM 1022 O THR 59 -6.096 9.954 5.957 1.00 15.33 A ATOM 1023 N LYS 60 -8.148 10.781 6.367 1.00 1.13 A ATOM 1024 HN LYS 60 -9.111 10.697 6.204 1.00 51.34 A ATOM 1025 CA LYS 60 -7.664 11.854 7.229 1.00 70.45 A ATOM 1026 HA LYS 60 -6.908 12.400 6.685 1.00 24.45 A ATOM 1027 CB LYS 60 -8.808 12.806 7.583 1.00 11.13 A ATOM 1028 HB1 LYS 60 -8.529 13.374 8.460 1.00 73.45 A ATOM 1029 HB2 LYS 60 -9.689 12.223 7.808 1.00 52.30 A ATOM 1030 CG LYS 60 -9.153 13.783 6.473 1.00 43.15 A ATOM 1031 HG1 LYS 60 -10.082 14.279 6.717 1.00 64.21 A ATOM 1032 HG2 LYS 60 -9.267 13.237 5.548 1.00 44.43 A ATOM 1033 CD LYS 60 -8.066 14.831 6.294 1.00 34.53 A ATOM 1034 HD1 LYS 60 -8.032 15.128 5.256 1.00 73.03 A ATOM 1035 HD2 LYS 60 -7.116 14.404 6.579 1.00 33.34 A ATOM 1036 CE LYS 60 -8.330 16.059 7.152 1.00 32.40 A ATOM 1037 HE1 LYS 60 -9.398 16.190 7.250 1.00 3.31 A ATOM 1038 HE2 LYS 60 -7.905 16.921 6.663 1.00 42.31 A ATOM 1039 NZ LYS 60 -7.731 15.926 8.509 1.00 13.31 A ATOM 1040 HZ1 LYS 60 -8.438 15.556 9.176 1.00 22.54 A ATOM 1041 HZ2 LYS 60 -7.405 16.854 8.848 1.00 70.24 A ATOM 1042 HZ3 LYS 60 -6.921 15.275 8.481 1.00 74.24 A ATOM 1043 C LYS 60 -7.044 11.290 8.503 1.00 30.01 A ATOM 1044 O LYS 60 -6.144 11.894 9.086 1.00 4.12 A ATOM 1045 N ARG 61 -7.531 10.129 8.929 1.00 24.02 A ATOM 1046 HN ARG 61 -8.248 9.696 8.421 1.00 33.25 A ATOM 1047 CA ARG 61 -7.024 9.484 10.135 1.00 44.35 A ATOM 1048 HA ARG 61 -6.602 10.250 10.768 1.00 13.14 A ATOM 1049 CB ARG 61 -8.162 8.789 10.884 1.00 64.22 A ATOM 1050 HB1 ARG 61 -7.817 8.524 11.872 1.00 64.22 A ATOM 1051 HB2 ARG 61 -8.430 7.888 10.351 1.00 14.23 A ATOM 1052 CG ARG 61 -9.409 9.646 11.028 1.00 23.45 A ATOM 1053 HG1 ARG 61 -10.058 9.465 10.185 1.00 71.40 A ATOM 1054 HG2 ARG 61 -9.119 10.686 11.046 1.00 14.02 A ATOM 1055 CD ARG 61 -10.160 9.323 12.310 1.00 15.14 A ATOM 1056 HD1 ARG 61 -10.058 10.155 12.991 1.00 40.33 A ATOM 1057 HD2 ARG 61 -9.726 8.440 12.754 1.00 20.13 A ATOM 1058 NE ARG 61 -11.580 9.081 12.066 1.00 1.44 A ATOM 1059 HE ARG 61 -12.212 9.778 12.340 1.00 74.35 A ATOM 1060 CZ ARG 61 -12.050 7.977 11.498 1.00 33.54 A ATOM 1061 NH1 ARG 61 -11.218 7.017 11.118 1.00 32.23 A ATOM 1062 HH11 ARG 61 -10.234 7.124 11.260 1.00 54.11 A ATOM 1063 HH12 ARG 61 -11.575 6.185 10.692 1.00 51.20 A ATOM 1064 NH2 ARG 61 -13.356 7.830 11.310 1.00 25.11 A ATOM 1065 HH21 ARG 61 -13.986 8.551 11.596 1.00 42.24 A ATOM 1066 HH22 ARG 61 -13.708 6.998 10.883 1.00 54.35 A ATOM 1067 C ARG 61 -5.933 8.473 9.793 1.00 42.44 A ATOM 1068 O ARG 61 -6.055 7.713 8.832 1.00 22.22 A ATOM 1069 N LYS 62 -4.866 8.471 10.585 1.00 51.32 A ATOM 1070 HN LYS 62 -4.827 9.102 11.335 1.00 63.31 A ATOM 1071 CA LYS 62 -3.753 7.554 10.368 1.00 53.41 A ATOM 1072 HA LYS 62 -4.163 6.593 10.097 1.00 13.25 A ATOM 1073 CB LYS 62 -2.867 8.057 9.226 1.00 5.15 A ATOM 1074 HB1 LYS 62 -3.467 8.146 8.333 1.00 52.43 A ATOM 1075 HB2 LYS 62 -2.082 7.336 9.052 1.00 60.33 A ATOM 1076 CG LYS 62 -2.223 9.404 9.505 1.00 43.35 A ATOM 1077 HG1 LYS 62 -1.310 9.482 8.931 1.00 24.34 A ATOM 1078 HG2 LYS 62 -1.995 9.474 10.558 1.00 54.21 A ATOM 1079 CD LYS 62 -3.143 10.552 9.123 1.00 32.45 A ATOM 1080 HD1 LYS 62 -4.132 10.160 8.932 1.00 33.34 A ATOM 1081 HD2 LYS 62 -2.763 11.025 8.230 1.00 15.45 A ATOM 1082 CE LYS 62 -3.228 11.590 10.232 1.00 71.22 A ATOM 1083 HE1 LYS 62 -3.365 11.080 11.174 1.00 11.43 A ATOM 1084 HE2 LYS 62 -4.076 12.231 10.043 1.00 63.52 A ATOM 1085 NZ LYS 62 -1.997 12.424 10.306 1.00 63.10 A ATOM 1086 HZ1 LYS 62 -1.783 12.657 11.297 1.00 42.32 A ATOM 1087 HZ2 LYS 62 -2.131 13.308 9.775 1.00 34.21 A ATOM 1088 HZ3 LYS 62 -1.190 11.908 9.900 1.00 32.25 A ATOM 1089 C LYS 62 -2.924 7.396 11.638 1.00 22.41 A ATOM 1090 O LYS 62 -3.257 7.957 12.681 1.00 32.23 A ATOM 1091 N GLN 63 -1.842 6.629 11.541 1.00 13.12 A ATOM 1092 HN GLN 63 -1.630 6.209 10.682 1.00 5.04 A ATOM 1093 CA GLN 63 -0.965 6.398 12.683 1.00 15.10 A ATOM 1094 HA GLN 63 -1.473 6.753 13.567 1.00 5.23 A ATOM 1095 CB GLN 63 -0.680 4.903 12.840 1.00 55.40 A ATOM 1096 HB1 GLN 63 0.033 4.767 13.639 1.00 44.21 A ATOM 1097 HB2 GLN 63 -0.255 4.532 11.920 1.00 25.31 A ATOM 1098 CG GLN 63 -1.917 4.079 13.161 1.00 64.22 A ATOM 1099 HG1 GLN 63 -2.669 4.275 12.411 1.00 43.20 A ATOM 1100 HG2 GLN 63 -2.290 4.375 14.130 1.00 51.12 A ATOM 1101 CD GLN 63 -1.634 2.590 13.187 1.00 72.45 A ATOM 1102 OE1 GLN 63 -0.756 2.100 12.476 1.00 40.24 A ATOM 1103 NE2 GLN 63 -2.379 1.860 14.008 1.00 31.45 A ATOM 1104 HE21 GLN 63 -3.061 2.318 14.544 1.00 31.50 A ATOM 1105 HE22 GLN 63 -2.219 0.895 14.045 1.00 65.54 A ATOM 1106 C GLN 63 0.344 7.164 12.527 1.00 22.13 A ATOM 1107 O GLN 63 0.564 7.842 11.523 1.00 74.24 A ATOM 1108 N LEU 64 1.212 7.052 13.527 1.00 15.03 A ATOM 1109 HN LEU 64 0.981 6.498 14.301 1.00 33.23 A ATOM 1110 CA LEU 64 2.501 7.734 13.502 1.00 53.41 A ATOM 1111 HA LEU 64 2.317 8.784 13.325 1.00 74.42 A ATOM 1112 CB LEU 64 3.212 7.573 14.847 1.00 51.14 A ATOM 1113 HB1 LEU 64 3.774 6.650 14.814 1.00 53.41 A ATOM 1114 HB2 LEU 64 2.456 7.505 15.614 1.00 23.11 A ATOM 1115 CG LEU 64 4.174 8.696 15.236 1.00 65.43 A ATOM 1116 HG LEU 64 4.709 9.024 14.355 1.00 50.40 A ATOM 1117 CD1 LEU 64 3.409 9.887 15.791 1.00 21.40 A ATOM 1118 HD11 LEU 64 2.796 9.566 16.620 1.00 60.15 A ATOM 1119 HD12 LEU 64 2.780 10.303 15.018 1.00 64.33 A ATOM 1120 HD13 LEU 64 4.108 10.638 16.129 1.00 61.30 A ATOM 1121 CD2 LEU 64 5.195 8.196 16.248 1.00 50.10 A ATOM 1122 HD21 LEU 64 6.083 8.809 16.196 1.00 72.13 A ATOM 1123 HD22 LEU 64 5.452 7.171 16.024 1.00 31.30 A ATOM 1124 HD23 LEU 64 4.775 8.254 17.241 1.00 10.10 A ATOM 1125 C LEU 64 3.381 7.194 12.380 1.00 61.50 A ATOM 1126 O LEU 64 4.112 7.944 11.734 1.00 52.51 A ATOM 1127 N SER 65 3.305 5.886 12.153 1.00 54.14 A ATOM 1128 HN SER 65 2.703 5.340 12.702 1.00 43.24 A ATOM 1129 CA SER 65 4.096 5.244 11.109 1.00 13.15 A ATOM 1130 HA SER 65 3.980 4.176 11.216 1.00 72.23 A ATOM 1131 CB SER 65 3.593 5.664 9.727 1.00 10.50 A ATOM 1132 HB1 SER 65 3.869 6.693 9.544 1.00 21.12 A ATOM 1133 HB2 SER 65 2.518 5.569 9.693 1.00 24.02 A ATOM 1134 OG SER 65 4.156 4.853 8.711 1.00 32.41 A ATOM 1135 HG SER 65 4.963 5.259 8.387 1.00 61.30 A ATOM 1136 C SER 65 5.573 5.596 11.254 1.00 23.53 A ATOM 1137 O SER 65 6.213 6.041 10.302 1.00 61.44 A ATOM 1138 N SER 66 6.109 5.392 12.454 1.00 54.12 A ATOM 1139 HN SER 66 5.547 5.035 13.173 1.00 13.04 A ATOM 1140 CA SER 66 7.510 5.691 12.726 1.00 33.32 A ATOM 1141 HA SER 66 7.790 6.544 12.126 1.00 35.32 A ATOM 1142 CB SER 66 7.701 6.037 14.204 1.00 23.10 A ATOM 1143 HB1 SER 66 7.563 7.099 14.343 1.00 55.42 A ATOM 1144 HB2 SER 66 8.699 5.762 14.509 1.00 23.52 A ATOM 1145 OG SER 66 6.768 5.344 15.015 1.00 3.32 A ATOM 1146 HG SER 66 7.235 4.877 15.713 1.00 55.55 A ATOM 1147 C SER 66 8.400 4.510 12.349 1.00 11.51 A ATOM 1148 O SER 66 8.690 3.649 13.178 1.00 4.25 A ATOM 1149 N GLU 67 8.829 4.479 11.091 1.00 1.22 A ATOM 1150 HN GLU 67 8.563 5.195 10.477 1.00 22.01 A ATOM 1151 CA GLU 67 9.685 3.404 10.604 1.00 45.45 A ATOM 1152 HA GLU 67 9.831 2.704 11.412 1.00 62.13 A ATOM 1153 CB GLU 67 9.017 2.681 9.433 1.00 33.30 A ATOM 1154 HB1 GLU 67 9.762 2.096 8.914 1.00 21.04 A ATOM 1155 HB2 GLU 67 8.613 3.417 8.753 1.00 21.35 A ATOM 1156 CG GLU 67 7.891 1.752 9.855 1.00 31.51 A ATOM 1157 HG1 GLU 67 7.274 2.261 10.581 1.00 72.13 A ATOM 1158 HG2 GLU 67 8.320 0.869 10.306 1.00 75.25 A ATOM 1159 CD GLU 67 7.019 1.325 8.690 1.00 14.34 A ATOM 1160 OE1 GLU 67 5.846 0.968 8.928 1.00 14.21 A ATOM 1161 OE2 GLU 67 7.508 1.349 7.542 1.00 62.50 A ATOM 1162 C GLU 67 11.045 3.946 10.171 1.00 20.10 A ATOM 1163 O GLU 67 11.168 4.582 9.124 1.00 41.25 A ATOM 1164 N LEU 68 12.063 3.690 10.985 1.00 62.52 A ATOM 1165 HN LEU 68 11.904 3.178 11.805 1.00 75.13 A ATOM 1166 CA LEU 68 13.415 4.151 10.688 1.00 71.01 A ATOM 1167 HA LEU 68 13.355 5.192 10.408 1.00 44.13 A ATOM 1168 CB LEU 68 14.304 4.018 11.926 1.00 71.34 A ATOM 1169 HB1 LEU 68 15.324 4.203 11.620 1.00 0.35 A ATOM 1170 HB2 LEU 68 14.217 3.005 12.287 1.00 23.32 A ATOM 1171 CG LEU 68 13.983 4.959 13.087 1.00 35.32 A ATOM 1172 HG LEU 68 12.952 4.817 13.383 1.00 61.42 A ATOM 1173 CD1 LEU 68 14.862 4.644 14.288 1.00 52.44 A ATOM 1174 HD11 LEU 68 15.557 3.860 14.029 1.00 33.12 A ATOM 1175 HD12 LEU 68 14.243 4.321 15.112 1.00 65.12 A ATOM 1176 HD13 LEU 68 15.409 5.531 14.575 1.00 72.42 A ATOM 1177 CD2 LEU 68 14.156 6.409 12.662 1.00 11.50 A ATOM 1178 HD21 LEU 68 15.061 6.508 12.080 1.00 34.14 A ATOM 1179 HD22 LEU 68 14.222 7.036 13.540 1.00 43.24 A ATOM 1180 HD23 LEU 68 13.309 6.713 12.065 1.00 11.22 A ATOM 1181 C LEU 68 14.017 3.364 9.528 1.00 33.43 A ATOM 1182 O LEU 68 14.248 2.160 9.636 1.00 50.14 A ATOM 1183 N GLY 69 14.270 4.053 8.420 1.00 62.22 A ATOM 1184 HN GLY 69 14.065 5.011 8.392 1.00 60.15 A ATOM 1185 CA GLY 69 14.845 3.402 7.257 1.00 50.21 A ATOM 1186 HA1 GLY 69 14.272 3.679 6.384 1.00 31.10 A ATOM 1187 HA2 GLY 69 14.785 2.332 7.390 1.00 0.41 A ATOM 1188 C GLY 69 16.293 3.789 7.033 1.00 25.21 A ATOM 1189 O GLY 69 17.071 3.774 7.986 1.00 43.11 A ATOM 1190 X ANI 900 28.995 21.331 -22.926 1.00 0.00 ATOM 1191 Y ANI 900 27.801 21.743 -23.563 1.00 0.00 ATOM 1192 Z ANI 900 27.990 21.995 -22.184 1.00 0.00 ATOM 1193 OO ANI 900 28.019 21.181 -22.765 1.00 0.00 ATOM 1194 X ANI 901 48.209 41.490 -53.428 1.00 0.00 ATOM 1195 Y ANI 901 47.577 40.731 -52.416 1.00 0.00 ATOM 1196 Z ANI 901 47.133 40.632 -53.755 1.00 0.00 ATOM 1197 OO ANI 901 47.267 41.383 -53.108 1.00 0.00 ATOM 1198 OH2 TIP3 1 -20.087 -13.263 -16.621 0.00 0.00 WAT1 ATOM 1199 H1 TIP3 1 -21.029 -13.205 -16.460 0.00 0.00 WAT1 ATOM 1200 H2 TIP3 1 -19.811 -12.357 -16.758 0.00 0.00 WAT1 ATOM 1201 OH2 TIP3 2 -18.990 -15.015 -13.010 0.00 0.00 WAT1 ATOM 1202 H1 TIP3 2 -18.850 -15.606 -13.749 0.00 0.00 WAT1 ATOM 1203 H2 TIP3 2 -18.822 -14.142 -13.366 0.00 0.00 WAT1 ATOM 1204 OH2 TIP3 3 -17.148 -18.675 -14.944 0.00 0.00 WAT1 ATOM 1205 H1 TIP3 3 -17.800 -17.980 -14.855 0.00 0.00 WAT1 ATOM 1206 H2 TIP3 3 -16.683 -18.465 -15.754 0.00 0.00 WAT1 ATOM 1207 OH2 TIP3 4 -21.214 -19.669 -13.218 0.00 0.00 WAT1 ATOM 1208 H1 TIP3 4 -21.134 -18.906 -12.646 0.00 0.00 WAT1 ATOM 1209 H2 TIP3 4 -21.815 -19.390 -13.909 0.00 0.00 WAT1 ATOM 1210 OH2 TIP3 5 -22.790 -12.941 -16.036 0.00 0.00 WAT1 ATOM 1211 H1 TIP3 5 -23.031 -12.279 -15.388 0.00 0.00 WAT1 ATOM 1212 H2 TIP3 5 -22.988 -13.775 -15.611 0.00 0.00 WAT1 ATOM 1213 OH2 TIP3 6 -25.456 -12.760 -12.557 0.00 0.00 WAT1 ATOM 1214 H1 TIP3 6 -25.369 -11.934 -12.082 0.00 0.00 WAT1 ATOM 1215 H2 TIP3 6 -26.320 -13.090 -12.308 0.00 0.00 WAT1 ATOM 1216 OH2 TIP3 7 -19.283 -20.841 -10.953 0.00 0.00 WAT1 ATOM 1217 H1 TIP3 7 -19.690 -20.360 -11.673 0.00 0.00 WAT1 ATOM 1218 H2 TIP3 7 -19.242 -21.746 -11.260 0.00 0.00 WAT1 ATOM 1219 OH2 TIP3 8 -24.789 -20.209 -10.648 0.00 0.00 WAT1 ATOM 1220 H1 TIP3 8 -25.352 -20.913 -10.328 0.00 0.00 WAT1 ATOM 1221 H2 TIP3 8 -23.963 -20.329 -10.181 0.00 0.00 WAT1 ATOM 1222 OH2 TIP3 9 -19.205 -16.851 -15.095 0.00 0.00 WAT1 ATOM 1223 H1 TIP3 9 -18.563 -16.394 -15.638 0.00 0.00 WAT1 ATOM 1224 H2 TIP3 9 -20.035 -16.738 -15.557 0.00 0.00 WAT1 ATOM 1225 OH2 TIP3 10 -24.835 -15.800 -12.644 0.00 0.00 WAT1 ATOM 1226 H1 TIP3 10 -25.181 -16.181 -11.838 0.00 0.00 WAT1 ATOM 1227 H2 TIP3 10 -25.035 -14.866 -12.573 0.00 0.00 WAT1 ATOM 1228 OH2 TIP3 11 -22.585 -13.338 -12.694 0.00 0.00 WAT1 ATOM 1229 H1 TIP3 11 -23.486 -13.155 -12.962 0.00 0.00 WAT1 ATOM 1230 H2 TIP3 11 -22.551 -13.079 -11.773 0.00 0.00 WAT1 ATOM 1231 OH2 TIP3 12 -19.440 -10.454 -16.679 0.00 0.00 WAT1 ATOM 1232 H1 TIP3 12 -19.596 -9.776 -17.336 0.00 0.00 WAT1 ATOM 1233 H2 TIP3 12 -18.508 -10.382 -16.476 0.00 0.00 WAT1 ATOM 1234 OH2 TIP3 13 -21.429 -16.087 -12.681 0.00 0.00 WAT1 ATOM 1235 H1 TIP3 13 -20.684 -15.499 -12.801 0.00 0.00 WAT1 ATOM 1236 H2 TIP3 13 -22.186 -15.505 -12.618 0.00 0.00 WAT1 ATOM 1237 OH2 TIP3 14 -24.020 -17.293 -9.425 0.00 0.00 WAT1 ATOM 1238 H1 TIP3 14 -23.067 -17.209 -9.453 0.00 0.00 WAT1 ATOM 1239 H2 TIP3 14 -24.180 -18.004 -8.806 0.00 0.00 WAT1 ATOM 1240 OH2 TIP3 15 -22.290 -20.785 -8.860 0.00 0.00 WAT1 ATOM 1241 H1 TIP3 15 -22.098 -21.716 -8.971 0.00 0.00 WAT1 ATOM 1242 H2 TIP3 15 -21.433 -20.360 -8.870 0.00 0.00 WAT1 ATOM 1243 OH2 TIP3 16 -16.724 -9.804 -16.450 0.00 0.00 WAT1 ATOM 1244 H1 TIP3 16 -16.746 -9.619 -15.511 0.00 0.00 WAT1 ATOM 1245 H2 TIP3 16 -16.034 -9.235 -16.791 0.00 0.00 WAT1 ATOM 1246 OH2 TIP3 17 -17.256 -15.352 -16.604 0.00 0.00 WAT1 ATOM 1247 H1 TIP3 17 -16.422 -15.730 -16.885 0.00 0.00 WAT1 ATOM 1248 H2 TIP3 17 -17.144 -14.409 -16.723 0.00 0.00 WAT1 ATOM 1249 OH2 TIP3 18 -18.769 -12.474 -14.297 0.00 0.00 WAT1 ATOM 1250 H1 TIP3 18 -19.417 -12.149 -13.672 0.00 0.00 WAT1 ATOM 1251 H2 TIP3 18 -19.287 -12.914 -14.972 0.00 0.00 WAT1 ATOM 1252 OH2 TIP3 19 -16.875 -19.743 -10.666 0.00 0.00 WAT1 ATOM 1253 H1 TIP3 19 -17.738 -20.122 -10.831 0.00 0.00 WAT1 ATOM 1254 H2 TIP3 19 -16.271 -20.482 -10.740 0.00 0.00 WAT1 ATOM 1255 OH2 TIP3 20 -18.877 -20.715 -14.315 0.00 0.00 WAT1 ATOM 1256 H1 TIP3 20 -19.720 -20.447 -13.949 0.00 0.00 WAT1 ATOM 1257 H2 TIP3 20 -18.434 -19.893 -14.526 0.00 0.00 WAT1 ATOM 1258 OH2 TIP3 21 -25.336 -10.411 -11.117 0.00 0.00 WAT1 ATOM 1259 H1 TIP3 21 -25.151 -10.745 -10.239 0.00 0.00 WAT1 ATOM 1260 H2 TIP3 21 -24.489 -10.102 -11.439 0.00 0.00 WAT1 ATOM 1261 OH2 TIP3 22 -22.991 -9.126 -11.873 0.00 0.00 WAT1 ATOM 1262 H1 TIP3 22 -22.314 -9.758 -12.113 0.00 0.00 WAT1 ATOM 1263 H2 TIP3 22 -22.669 -8.724 -11.065 0.00 0.00 WAT1 ATOM 1264 OH2 TIP3 23 -22.740 -10.188 -14.878 0.00 0.00 WAT1 ATOM 1265 H1 TIP3 23 -23.644 -10.023 -15.144 0.00 0.00 WAT1 ATOM 1266 H2 TIP3 23 -22.311 -9.335 -14.944 0.00 0.00 WAT1 ATOM 1267 OH2 TIP3 24 -20.135 -8.618 -14.583 0.00 0.00 WAT1 ATOM 1268 H1 TIP3 24 -20.317 -7.702 -14.794 0.00 0.00 WAT1 ATOM 1269 H2 TIP3 24 -19.959 -9.028 -15.430 0.00 0.00 WAT1 ATOM 1270 OH2 TIP3 25 -23.238 -17.297 -1.834 0.00 0.00 WAT1 ATOM 1271 H1 TIP3 25 -23.149 -16.353 -1.966 0.00 0.00 WAT1 ATOM 1272 H2 TIP3 25 -23.877 -17.572 -2.492 0.00 0.00 WAT1 ATOM 1273 OH2 TIP3 26 -24.305 -18.042 1.585 0.00 0.00 WAT1 ATOM 1274 H1 TIP3 26 -24.343 -18.688 2.290 0.00 0.00 WAT1 ATOM 1275 H2 TIP3 26 -24.628 -18.508 0.814 0.00 0.00 WAT1 ATOM 1276 OH2 TIP3 27 -25.916 -15.609 1.991 0.00 0.00 WAT1 ATOM 1277 H1 TIP3 27 -25.612 -16.295 1.397 0.00 0.00 WAT1 ATOM 1278 H2 TIP3 27 -25.194 -15.491 2.609 0.00 0.00 WAT1 ATOM 1279 OH2 TIP3 28 -22.775 -21.215 2.319 0.00 0.00 WAT1 ATOM 1280 H1 TIP3 28 -22.632 -22.162 2.339 0.00 0.00 WAT1 ATOM 1281 H2 TIP3 28 -22.881 -21.008 1.390 0.00 0.00 WAT1 ATOM 1282 OH2 TIP3 29 -16.861 -22.530 5.088 0.00 0.00 WAT1 ATOM 1283 H1 TIP3 29 -17.550 -21.872 4.993 0.00 0.00 WAT1 ATOM 1284 H2 TIP3 29 -16.846 -22.727 6.025 0.00 0.00 WAT1 ATOM 1285 OH2 TIP3 30 -23.441 -14.696 -2.791 0.00 0.00 WAT1 ATOM 1286 H1 TIP3 30 -23.737 -15.018 -3.642 0.00 0.00 WAT1 ATOM 1287 H2 TIP3 30 -23.765 -13.796 -2.749 0.00 0.00 WAT1 ATOM 1288 OH2 TIP3 31 -24.517 -18.053 -4.382 0.00 0.00 WAT1 ATOM 1289 H1 TIP3 31 -25.229 -17.518 -4.733 0.00 0.00 WAT1 ATOM 1290 H2 TIP3 31 -23.826 -17.997 -5.042 0.00 0.00 WAT1 ATOM 1291 OH2 TIP3 32 -24.463 -19.595 -7.343 0.00 0.00 WAT1 ATOM 1292 H1 TIP3 32 -23.762 -19.573 -6.692 0.00 0.00 WAT1 ATOM 1293 H2 TIP3 32 -24.161 -20.223 -7.999 0.00 0.00 WAT1 ATOM 1294 OH2 TIP3 33 -17.148 -18.675 3.912 0.00 0.00 WAT1 ATOM 1295 H1 TIP3 33 -17.800 -17.980 4.001 0.00 0.00 WAT1 ATOM 1296 H2 TIP3 33 -16.683 -18.465 3.102 0.00 0.00 WAT1 ATOM 1297 OH2 TIP3 34 -21.111 -17.843 -3.430 0.00 0.00 WAT1 ATOM 1298 H1 TIP3 34 -21.843 -17.615 -2.857 0.00 0.00 WAT1 ATOM 1299 H2 TIP3 34 -20.664 -18.557 -2.975 0.00 0.00 WAT1 ATOM 1300 OH2 TIP3 35 -21.214 -19.669 5.638 0.00 0.00 WAT1 ATOM 1301 H1 TIP3 35 -21.134 -18.906 6.210 0.00 0.00 WAT1 ATOM 1302 H2 TIP3 35 -21.815 -19.390 4.947 0.00 0.00 WAT1 ATOM 1303 OH2 TIP3 36 -28.099 -13.785 1.134 0.00 0.00 WAT1 ATOM 1304 H1 TIP3 36 -28.194 -14.363 0.377 0.00 0.00 WAT1 ATOM 1305 H2 TIP3 36 -27.370 -14.156 1.630 0.00 0.00 WAT1 ATOM 1306 OH2 TIP3 37 -22.240 -18.681 -5.745 0.00 0.00 WAT1 ATOM 1307 H1 TIP3 37 -21.661 -18.531 -4.998 0.00 0.00 WAT1 ATOM 1308 H2 TIP3 37 -21.826 -18.210 -6.468 0.00 0.00 WAT1 ATOM 1309 OH2 TIP3 38 -24.514 -11.944 -2.310 0.00 0.00 WAT1 ATOM 1310 H1 TIP3 38 -24.040 -11.649 -1.532 0.00 0.00 WAT1 ATOM 1311 H2 TIP3 38 -25.077 -11.206 -2.543 0.00 0.00 WAT1 ATOM 1312 OH2 TIP3 39 -25.456 -12.760 6.299 0.00 0.00 WAT1 ATOM 1313 H1 TIP3 39 -25.369 -11.934 6.774 0.00 0.00 WAT1 ATOM 1314 H2 TIP3 39 -26.320 -13.090 6.548 0.00 0.00 WAT1 ATOM 1315 OH2 TIP3 40 -25.042 -8.988 -3.895 0.00 0.00 WAT1 ATOM 1316 H1 TIP3 40 -25.117 -9.109 -4.841 0.00 0.00 WAT1 ATOM 1317 H2 TIP3 40 -25.009 -8.038 -3.776 0.00 0.00 WAT1 ATOM 1318 OH2 TIP3 41 -19.283 -20.841 7.903 0.00 0.00 WAT1 ATOM 1319 H1 TIP3 41 -19.690 -20.360 7.183 0.00 0.00 WAT1 ATOM 1320 H2 TIP3 41 -19.242 -21.746 7.596 0.00 0.00 WAT1 ATOM 1321 OH2 TIP3 42 -22.887 -20.938 -0.466 0.00 0.00 WAT1 ATOM 1322 H1 TIP3 42 -23.082 -20.333 -1.181 0.00 0.00 WAT1 ATOM 1323 H2 TIP3 42 -22.705 -21.772 -0.901 0.00 0.00 WAT1 ATOM 1324 OH2 TIP3 43 -23.623 -19.300 4.205 0.00 0.00 WAT1 ATOM 1325 H1 TIP3 43 -23.299 -19.931 3.562 0.00 0.00 WAT1 ATOM 1326 H2 TIP3 43 -24.063 -19.835 4.866 0.00 0.00 WAT1 ATOM 1327 OH2 TIP3 44 -26.355 -15.984 -5.025 0.00 0.00 WAT1 ATOM 1328 H1 TIP3 44 -27.099 -16.491 -5.348 0.00 0.00 WAT1 ATOM 1329 H2 TIP3 44 -26.489 -15.935 -4.079 0.00 0.00 WAT1 ATOM 1330 OH2 TIP3 45 -24.835 -15.800 6.212 0.00 0.00 WAT1 ATOM 1331 H1 TIP3 45 -25.181 -16.181 7.018 0.00 0.00 WAT1 ATOM 1332 H2 TIP3 45 -25.035 -14.866 6.283 0.00 0.00 WAT1 ATOM 1333 OH2 TIP3 46 -21.739 -21.303 -5.165 0.00 0.00 WAT1 ATOM 1334 H1 TIP3 46 -20.847 -21.440 -4.846 0.00 0.00 WAT1 ATOM 1335 H2 TIP3 46 -21.682 -20.512 -5.702 0.00 0.00 WAT1 ATOM 1336 OH2 TIP3 47 -24.229 -14.525 -6.000 0.00 0.00 WAT1 ATOM 1337 H1 TIP3 47 -24.524 -13.699 -5.618 0.00 0.00 WAT1 ATOM 1338 H2 TIP3 47 -24.932 -15.145 -5.804 0.00 0.00 WAT1 ATOM 1339 OH2 TIP3 48 -22.585 -13.338 6.162 0.00 0.00 WAT1 ATOM 1340 H1 TIP3 48 -23.486 -13.155 5.894 0.00 0.00 WAT1 ATOM 1341 H2 TIP3 48 -22.551 -13.079 7.083 0.00 0.00 WAT1 ATOM 1342 OH2 TIP3 49 -16.854 -21.093 -5.471 0.00 0.00 WAT1 ATOM 1343 H1 TIP3 49 -17.408 -21.489 -6.143 0.00 0.00 WAT1 ATOM 1344 H2 TIP3 49 -16.753 -20.183 -5.748 0.00 0.00 WAT1 ATOM 1345 OH2 TIP3 50 -28.855 -13.171 -1.851 0.00 0.00 WAT1 ATOM 1346 H1 TIP3 50 -28.328 -12.398 -2.052 0.00 0.00 WAT1 ATOM 1347 H2 TIP3 50 -29.735 -12.946 -2.153 0.00 0.00 WAT1 ATOM 1348 OH2 TIP3 51 -26.913 -11.359 4.040 0.00 0.00 WAT1 ATOM 1349 H1 TIP3 51 -26.550 -10.504 3.807 0.00 0.00 WAT1 ATOM 1350 H2 TIP3 51 -26.381 -11.651 4.781 0.00 0.00 WAT1 ATOM 1351 OH2 TIP3 52 -28.744 -10.486 -2.730 0.00 0.00 WAT1 ATOM 1352 H1 TIP3 52 -29.694 -10.381 -2.678 0.00 0.00 WAT1 ATOM 1353 H2 TIP3 52 -28.393 -9.666 -2.385 0.00 0.00 WAT1 ATOM 1354 OH2 TIP3 53 -23.369 -15.260 3.741 0.00 0.00 WAT1 ATOM 1355 H1 TIP3 53 -23.795 -15.487 4.567 0.00 0.00 WAT1 ATOM 1356 H2 TIP3 53 -22.788 -15.998 3.558 0.00 0.00 WAT1 ATOM 1357 OH2 TIP3 54 -27.075 -13.219 -8.738 0.00 0.00 WAT1 ATOM 1358 H1 TIP3 54 -26.836 -13.967 -9.286 0.00 0.00 WAT1 ATOM 1359 H2 TIP3 54 -27.344 -13.607 -7.906 0.00 0.00 WAT1 ATOM 1360 OH2 TIP3 55 -28.138 -13.649 -6.282 0.00 0.00 WAT1 ATOM 1361 H1 TIP3 55 -27.991 -14.169 -5.492 0.00 0.00 WAT1 ATOM 1362 H2 TIP3 55 -28.141 -12.742 -5.976 0.00 0.00 WAT1 ATOM 1363 OH2 TIP3 56 -25.400 -11.951 -5.533 0.00 0.00 WAT1 ATOM 1364 H1 TIP3 56 -26.217 -11.454 -5.480 0.00 0.00 WAT1 ATOM 1365 H2 TIP3 56 -24.871 -11.476 -6.173 0.00 0.00 WAT1 ATOM 1366 OH2 TIP3 57 -28.062 -10.908 -5.551 0.00 0.00 WAT1 ATOM 1367 H1 TIP3 57 -27.901 -10.108 -6.052 0.00 0.00 WAT1 ATOM 1368 H2 TIP3 57 -28.259 -10.601 -4.666 0.00 0.00 WAT1 ATOM 1369 OH2 TIP3 58 -20.527 -19.710 0.555 0.00 0.00 WAT1 ATOM 1370 H1 TIP3 58 -21.324 -20.125 0.226 0.00 0.00 WAT1 ATOM 1371 H2 TIP3 58 -20.082 -20.401 1.046 0.00 0.00 WAT1 ATOM 1372 OH2 TIP3 59 -25.037 -11.356 -8.600 0.00 0.00 WAT1 ATOM 1373 H1 TIP3 59 -25.681 -11.987 -8.278 0.00 0.00 WAT1 ATOM 1374 H2 TIP3 59 -24.275 -11.887 -8.832 0.00 0.00 WAT1 ATOM 1375 OH2 TIP3 60 -22.552 -12.484 8.754 0.00 0.00 WAT1 ATOM 1376 H1 TIP3 60 -22.903 -13.340 8.997 0.00 0.00 WAT1 ATOM 1377 H2 TIP3 60 -21.826 -12.341 9.361 0.00 0.00 WAT1 ATOM 1378 OH2 TIP3 61 -24.126 -14.582 -8.773 0.00 0.00 WAT1 ATOM 1379 H1 TIP3 61 -24.394 -14.402 -7.872 0.00 0.00 WAT1 ATOM 1380 H2 TIP3 61 -24.332 -15.508 -8.904 0.00 0.00 WAT1 ATOM 1381 OH2 TIP3 62 -21.429 -16.087 6.175 0.00 0.00 WAT1 ATOM 1382 H1 TIP3 62 -20.684 -15.499 6.055 0.00 0.00 WAT1 ATOM 1383 H2 TIP3 62 -22.186 -15.505 6.238 0.00 0.00 WAT1 ATOM 1384 OH2 TIP3 63 -20.974 -17.996 8.074 0.00 0.00 WAT1 ATOM 1385 H1 TIP3 63 -21.255 -17.287 7.496 0.00 0.00 WAT1 ATOM 1386 H2 TIP3 63 -20.031 -18.069 7.923 0.00 0.00 WAT1 ATOM 1387 OH2 TIP3 64 -27.360 -8.723 -6.939 0.00 0.00 WAT1 ATOM 1388 H1 TIP3 64 -26.427 -8.565 -6.795 0.00 0.00 WAT1 ATOM 1389 H2 TIP3 64 -27.624 -8.048 -7.564 0.00 0.00 WAT1 ATOM 1390 OH2 TIP3 65 -18.710 -14.447 9.966 0.00 0.00 WAT1 ATOM 1391 H1 TIP3 65 -19.576 -14.552 10.360 0.00 0.00 WAT1 ATOM 1392 H2 TIP3 65 -18.334 -13.688 10.413 0.00 0.00 WAT1 ATOM 1393 OH2 TIP3 66 -17.015 -18.137 -2.696 0.00 0.00 WAT1 ATOM 1394 H1 TIP3 66 -17.741 -18.616 -2.298 0.00 0.00 WAT1 ATOM 1395 H2 TIP3 66 -16.434 -17.931 -1.964 0.00 0.00 WAT1 ATOM 1396 OH2 TIP3 67 -18.398 -20.996 -7.754 0.00 0.00 WAT1 ATOM 1397 H1 TIP3 67 -18.301 -20.329 -8.434 0.00 0.00 WAT1 ATOM 1398 H2 TIP3 67 -18.538 -21.812 -8.236 0.00 0.00 WAT1 ATOM 1399 OH2 TIP3 68 -19.228 -19.616 -2.133 0.00 0.00 WAT1 ATOM 1400 H1 TIP3 68 -19.378 -20.561 -2.153 0.00 0.00 WAT1 ATOM 1401 H2 TIP3 68 -19.582 -19.335 -1.289 0.00 0.00 WAT1 ATOM 1402 OH2 TIP3 69 -18.372 -17.646 7.506 0.00 0.00 WAT1 ATOM 1403 H1 TIP3 69 -17.789 -18.380 7.697 0.00 0.00 WAT1 ATOM 1404 H2 TIP3 69 -17.808 -16.874 7.552 0.00 0.00 WAT1 ATOM 1405 OH2 TIP3 70 -16.875 -19.743 8.190 0.00 0.00 WAT1 ATOM 1406 H1 TIP3 70 -17.738 -20.122 8.025 0.00 0.00 WAT1 ATOM 1407 H2 TIP3 70 -16.271 -20.482 8.116 0.00 0.00 WAT1 ATOM 1408 OH2 TIP3 71 -19.150 -23.588 -8.637 0.00 0.00 WAT1 ATOM 1409 H1 TIP3 71 -18.540 -23.960 -8.000 0.00 0.00 WAT1 ATOM 1410 H2 TIP3 71 -19.987 -24.010 -8.441 0.00 0.00 WAT1 ATOM 1411 OH2 TIP3 72 -19.518 -22.033 -3.671 0.00 0.00 WAT1 ATOM 1412 H1 TIP3 72 -19.238 -22.940 -3.546 0.00 0.00 WAT1 ATOM 1413 H2 TIP3 72 -18.759 -21.599 -4.060 0.00 0.00 WAT1 ATOM 1414 OH2 TIP3 73 -18.906 -21.452 1.765 0.00 0.00 WAT1 ATOM 1415 H1 TIP3 73 -17.973 -21.240 1.731 0.00 0.00 WAT1 ATOM 1416 H2 TIP3 73 -19.141 -21.350 2.688 0.00 0.00 WAT1 ATOM 1417 OH2 TIP3 74 -18.877 -20.715 4.541 0.00 0.00 WAT1 ATOM 1418 H1 TIP3 74 -19.720 -20.447 4.907 0.00 0.00 WAT1 ATOM 1419 H2 TIP3 74 -18.434 -19.893 4.330 0.00 0.00 WAT1 ATOM 1420 OH2 TIP3 75 -25.336 -10.411 7.739 0.00 0.00 WAT1 ATOM 1421 H1 TIP3 75 -25.151 -10.745 8.617 0.00 0.00 WAT1 ATOM 1422 H2 TIP3 75 -24.489 -10.102 7.417 0.00 0.00 WAT1 ATOM 1423 OH2 TIP3 76 -22.991 -9.126 6.983 0.00 0.00 WAT1 ATOM 1424 H1 TIP3 76 -22.314 -9.758 6.743 0.00 0.00 WAT1 ATOM 1425 H2 TIP3 76 -22.669 -8.724 7.791 0.00 0.00 WAT1 ATOM 1426 OH2 TIP3 77 -25.067 -9.066 3.033 0.00 0.00 WAT1 ATOM 1427 H1 TIP3 77 -25.524 -8.537 2.379 0.00 0.00 WAT1 ATOM 1428 H2 TIP3 77 -24.904 -8.463 3.758 0.00 0.00 WAT1 ATOM 1429 OH2 TIP3 78 -28.152 -10.751 1.241 0.00 0.00 WAT1 ATOM 1430 H1 TIP3 78 -27.939 -11.639 0.954 0.00 0.00 WAT1 ATOM 1431 H2 TIP3 78 -28.087 -10.785 2.196 0.00 0.00 WAT1 ATOM 1432 OH2 TIP3 79 -17.352 -12.565 11.301 0.00 0.00 WAT1 ATOM 1433 H1 TIP3 79 -17.279 -11.626 11.471 0.00 0.00 WAT1 ATOM 1434 H2 TIP3 79 -16.447 -12.870 11.244 0.00 0.00 WAT1 ATOM 1435 OH2 TIP3 80 -21.940 -9.834 11.964 0.00 0.00 WAT1 ATOM 1436 H1 TIP3 80 -21.565 -10.578 11.493 0.00 0.00 WAT1 ATOM 1437 H2 TIP3 80 -21.936 -10.104 12.882 0.00 0.00 WAT1 ATOM 1438 OH2 TIP3 81 -16.662 -9.851 11.872 0.00 0.00 WAT1 ATOM 1439 H1 TIP3 81 -15.919 -9.265 11.732 0.00 0.00 WAT1 ATOM 1440 H2 TIP3 81 -17.357 -9.283 12.205 0.00 0.00 WAT1 ATOM 1441 OH2 TIP3 82 -25.037 -11.356 10.256 0.00 0.00 WAT1 ATOM 1442 H1 TIP3 82 -25.681 -11.987 10.578 0.00 0.00 WAT1 ATOM 1443 H2 TIP3 82 -24.275 -11.887 10.024 0.00 0.00 WAT1 ATOM 1444 OH2 TIP3 83 -20.433 -11.539 10.490 0.00 0.00 WAT1 ATOM 1445 H1 TIP3 83 -20.150 -12.333 10.943 0.00 0.00 WAT1 ATOM 1446 H2 TIP3 83 -19.693 -11.306 9.929 0.00 0.00 WAT1 ATOM 1447 OH2 TIP3 84 -17.868 -17.059 10.361 0.00 0.00 WAT1 ATOM 1448 H1 TIP3 84 -18.141 -17.484 9.548 0.00 0.00 WAT1 ATOM 1449 H2 TIP3 84 -17.828 -16.128 10.144 0.00 0.00 WAT1 ATOM 1450 OH2 TIP3 85 -17.253 -5.152 -16.004 0.00 0.00 WAT1 ATOM 1451 H1 TIP3 85 -17.204 -4.542 -15.268 0.00 0.00 WAT1 ATOM 1452 H2 TIP3 85 -16.827 -4.691 -16.727 0.00 0.00 WAT1 ATOM 1453 OH2 TIP3 86 -22.775 -2.359 -16.537 0.00 0.00 WAT1 ATOM 1454 H1 TIP3 86 -22.632 -3.306 -16.517 0.00 0.00 WAT1 ATOM 1455 H2 TIP3 86 -22.881 -2.152 -17.466 0.00 0.00 WAT1 ATOM 1456 OH2 TIP3 87 -20.087 5.593 -16.621 0.00 0.00 WAT1 ATOM 1457 H1 TIP3 87 -21.029 5.651 -16.460 0.00 0.00 WAT1 ATOM 1458 H2 TIP3 87 -19.811 6.499 -16.758 0.00 0.00 WAT1 ATOM 1459 OH2 TIP3 88 -19.787 -6.121 -15.204 0.00 0.00 WAT1 ATOM 1460 H1 TIP3 88 -20.523 -5.510 -15.242 0.00 0.00 WAT1 ATOM 1461 H2 TIP3 88 -19.103 -5.706 -15.730 0.00 0.00 WAT1 ATOM 1462 OH2 TIP3 89 -18.990 3.841 -13.010 0.00 0.00 WAT1 ATOM 1463 H1 TIP3 89 -18.850 3.250 -13.749 0.00 0.00 WAT1 ATOM 1464 H2 TIP3 89 -18.822 4.714 -13.366 0.00 0.00 WAT1 ATOM 1465 OH2 TIP3 90 -28.219 4.811 -12.053 0.00 0.00 WAT1 ATOM 1466 H1 TIP3 90 -28.531 5.593 -11.597 0.00 0.00 WAT1 ATOM 1467 H2 TIP3 90 -28.869 4.658 -12.739 0.00 0.00 WAT1 ATOM 1468 OH2 TIP3 91 -25.456 6.096 -12.557 0.00 0.00 WAT1 ATOM 1469 H1 TIP3 91 -25.369 6.922 -12.082 0.00 0.00 WAT1 ATOM 1470 H2 TIP3 91 -26.320 5.766 -12.308 0.00 0.00 WAT1 ATOM 1471 OH2 TIP3 92 -21.526 -3.653 -12.732 0.00 0.00 WAT1 ATOM 1472 H1 TIP3 92 -22.040 -3.779 -11.935 0.00 0.00 WAT1 ATOM 1473 H2 TIP3 92 -21.681 -2.741 -12.977 0.00 0.00 WAT1 ATOM 1474 OH2 TIP3 93 -24.789 -1.353 -10.648 0.00 0.00 WAT1 ATOM 1475 H1 TIP3 93 -25.352 -2.057 -10.328 0.00 0.00 WAT1 ATOM 1476 H2 TIP3 93 -23.963 -1.473 -10.181 0.00 0.00 WAT1 ATOM 1477 OH2 TIP3 94 -23.623 -0.444 -14.651 0.00 0.00 WAT1 ATOM 1478 H1 TIP3 94 -23.299 -1.075 -15.294 0.00 0.00 WAT1 ATOM 1479 H2 TIP3 94 -24.063 -0.979 -13.990 0.00 0.00 WAT1 ATOM 1480 OH2 TIP3 95 -22.440 -5.282 -16.603 0.00 0.00 WAT1 ATOM 1481 H1 TIP3 95 -23.117 -5.151 -15.939 0.00 0.00 WAT1 ATOM 1482 H2 TIP3 95 -22.926 -5.437 -17.413 0.00 0.00 WAT1 ATOM 1483 OH2 TIP3 96 -19.153 10.390 -10.326 0.00 0.00 WAT1 ATOM 1484 H1 TIP3 96 -18.953 10.814 -11.161 0.00 0.00 WAT1 ATOM 1485 H2 TIP3 96 -18.497 10.733 -9.719 0.00 0.00 WAT1 ATOM 1486 OH2 TIP3 97 -19.205 2.005 -15.095 0.00 0.00 WAT1 ATOM 1487 H1 TIP3 97 -18.563 2.462 -15.638 0.00 0.00 WAT1 ATOM 1488 H2 TIP3 97 -20.035 2.118 -15.557 0.00 0.00 WAT1 ATOM 1489 OH2 TIP3 98 -24.835 3.056 -12.644 0.00 0.00 WAT1 ATOM 1490 H1 TIP3 98 -25.181 2.675 -11.838 0.00 0.00 WAT1 ATOM 1491 H2 TIP3 98 -25.035 3.990 -12.573 0.00 0.00 WAT1 ATOM 1492 OH2 TIP3 99 -27.205 0.145 -10.584 0.00 0.00 WAT1 ATOM 1493 H1 TIP3 99 -27.501 -0.021 -11.479 0.00 0.00 WAT1 ATOM 1494 H2 TIP3 99 -26.274 -0.075 -10.594 0.00 0.00 WAT1 ATOM 1495 OH2 TIP3 100 -22.585 5.518 -12.694 0.00 0.00 WAT1 ATOM 1496 H1 TIP3 100 -23.486 5.701 -12.962 0.00 0.00 WAT1 ATOM 1497 H2 TIP3 100 -22.551 5.777 -11.773 0.00 0.00 WAT1 ATOM 1498 OH2 TIP3 101 -21.398 1.357 -16.840 0.00 0.00 WAT1 ATOM 1499 H1 TIP3 101 -22.326 1.125 -16.867 0.00 0.00 WAT1 ATOM 1500 H2 TIP3 101 -20.947 0.580 -17.170 0.00 0.00 WAT1 ATOM 1501 OH2 TIP3 102 -23.369 3.596 -15.115 0.00 0.00 WAT1 ATOM 1502 H1 TIP3 102 -23.795 3.369 -14.289 0.00 0.00 WAT1 ATOM 1503 H2 TIP3 102 -22.788 2.858 -15.298 0.00 0.00 WAT1 ATOM 1504 OH2 TIP3 103 -20.710 8.148 -12.646 0.00 0.00 WAT1 ATOM 1505 H1 TIP3 103 -21.312 7.593 -13.141 0.00 0.00 WAT1 ATOM 1506 H2 TIP3 103 -20.429 8.815 -13.272 0.00 0.00 WAT1 ATOM 1507 OH2 TIP3 104 -23.853 -4.878 -14.349 0.00 0.00 WAT1 ATOM 1508 H1 TIP3 104 -23.155 -4.804 -13.699 0.00 0.00 WAT1 ATOM 1509 H2 TIP3 104 -24.234 -5.742 -14.194 0.00 0.00 WAT1 ATOM 1510 OH2 TIP3 105 -25.333 -2.512 -13.232 0.00 0.00 WAT1 ATOM 1511 H1 TIP3 105 -25.214 -1.938 -12.475 0.00 0.00 WAT1 ATOM 1512 H2 TIP3 105 -24.678 -3.200 -13.117 0.00 0.00 WAT1 ATOM 1513 OH2 TIP3 106 -20.527 -0.854 -18.301 0.00 0.00 WAT1 ATOM 1514 H1 TIP3 106 -21.324 -1.269 -18.630 0.00 0.00 WAT1 ATOM 1515 H2 TIP3 106 -20.082 -1.545 -17.810 0.00 0.00 WAT1 ATOM 1516 OH2 TIP3 107 -27.164 2.853 -10.064 0.00 0.00 WAT1 ATOM 1517 H1 TIP3 107 -27.492 3.124 -10.922 0.00 0.00 WAT1 ATOM 1518 H2 TIP3 107 -27.012 1.912 -10.152 0.00 0.00 WAT1 ATOM 1519 OH2 TIP3 108 -21.429 2.769 -12.681 0.00 0.00 WAT1 ATOM 1520 H1 TIP3 108 -20.684 3.357 -12.801 0.00 0.00 WAT1 ATOM 1521 H2 TIP3 108 -22.186 3.351 -12.618 0.00 0.00 WAT1 ATOM 1522 OH2 TIP3 109 -26.706 0.256 -13.888 0.00 0.00 WAT1 ATOM 1523 H1 TIP3 109 -25.955 0.100 -14.461 0.00 0.00 WAT1 ATOM 1524 H2 TIP3 109 -27.045 1.108 -14.164 0.00 0.00 WAT1 ATOM 1525 OH2 TIP3 110 -26.218 -3.405 -10.133 0.00 0.00 WAT1 ATOM 1526 H1 TIP3 110 -26.454 -3.625 -9.231 0.00 0.00 WAT1 ATOM 1527 H2 TIP3 110 -27.001 -3.612 -10.642 0.00 0.00 WAT1 ATOM 1528 OH2 TIP3 111 -23.502 -4.278 -11.057 0.00 0.00 WAT1 ATOM 1529 H1 TIP3 111 -24.450 -4.246 -10.925 0.00 0.00 WAT1 ATOM 1530 H2 TIP3 111 -23.190 -4.903 -10.403 0.00 0.00 WAT1 ATOM 1531 OH2 TIP3 112 -21.868 -5.644 -9.052 0.00 0.00 WAT1 ATOM 1532 H1 TIP3 112 -21.965 -6.596 -9.058 0.00 0.00 WAT1 ATOM 1533 H2 TIP3 112 -22.190 -5.375 -8.191 0.00 0.00 WAT1 ATOM 1534 OH2 TIP3 113 -27.260 -8.433 -11.025 0.00 0.00 WAT1 ATOM 1535 H1 TIP3 113 -26.548 -9.073 -11.039 0.00 0.00 WAT1 ATOM 1536 H2 TIP3 113 -27.361 -8.166 -11.939 0.00 0.00 WAT1 ATOM 1537 OH2 TIP3 114 -26.907 -6.750 -8.971 0.00 0.00 WAT1 ATOM 1538 H1 TIP3 114 -27.038 -7.226 -9.792 0.00 0.00 WAT1 ATOM 1539 H2 TIP3 114 -27.506 -6.006 -9.027 0.00 0.00 WAT1 ATOM 1540 OH2 TIP3 115 -16.724 9.052 -16.450 0.00 0.00 WAT1 ATOM 1541 H1 TIP3 115 -16.746 9.237 -15.511 0.00 0.00 WAT1 ATOM 1542 H2 TIP3 115 -16.034 9.621 -16.791 0.00 0.00 WAT1 ATOM 1543 OH2 TIP3 116 -17.161 8.619 -13.528 0.00 0.00 WAT1 ATOM 1544 H1 TIP3 116 -17.648 7.884 -13.899 0.00 0.00 WAT1 ATOM 1545 H2 TIP3 116 -16.612 8.226 -12.850 0.00 0.00 WAT1 ATOM 1546 OH2 TIP3 117 -17.015 0.719 -21.552 0.00 0.00 WAT1 ATOM 1547 H1 TIP3 117 -17.741 0.240 -21.154 0.00 0.00 WAT1 ATOM 1548 H2 TIP3 117 -16.434 0.925 -20.820 0.00 0.00 WAT1 ATOM 1549 OH2 TIP3 118 -17.256 3.504 -16.604 0.00 0.00 WAT1 ATOM 1550 H1 TIP3 118 -16.422 3.126 -16.885 0.00 0.00 WAT1 ATOM 1551 H2 TIP3 118 -17.144 4.447 -16.723 0.00 0.00 WAT1 ATOM 1552 OH2 TIP3 119 -18.769 6.382 -14.297 0.00 0.00 WAT1 ATOM 1553 H1 TIP3 119 -19.417 6.707 -13.672 0.00 0.00 WAT1 ATOM 1554 H2 TIP3 119 -19.287 5.942 -14.972 0.00 0.00 WAT1 ATOM 1555 OH2 TIP3 120 -18.906 -2.596 -17.091 0.00 0.00 WAT1 ATOM 1556 H1 TIP3 120 -17.973 -2.384 -17.125 0.00 0.00 WAT1 ATOM 1557 H2 TIP3 120 -19.141 -2.494 -16.168 0.00 0.00 WAT1 ATOM 1558 OH2 TIP3 121 -25.336 8.445 -11.117 0.00 0.00 WAT1 ATOM 1559 H1 TIP3 121 -25.151 8.111 -10.239 0.00 0.00 WAT1 ATOM 1560 H2 TIP3 121 -24.489 8.754 -11.439 0.00 0.00 WAT1 ATOM 1561 OH2 TIP3 122 -22.991 9.730 -11.873 0.00 0.00 WAT1 ATOM 1562 H1 TIP3 122 -22.314 9.098 -12.113 0.00 0.00 WAT1 ATOM 1563 H2 TIP3 122 -22.669 10.132 -11.065 0.00 0.00 WAT1 ATOM 1564 OH2 TIP3 123 -19.501 -8.124 -18.358 0.00 0.00 WAT1 ATOM 1565 H1 TIP3 123 -18.897 -7.576 -18.859 0.00 0.00 WAT1 ATOM 1566 H2 TIP3 123 -20.370 -7.804 -18.598 0.00 0.00 WAT1 ATOM 1567 OH2 TIP3 124 -17.774 -6.985 -20.024 0.00 0.00 WAT1 ATOM 1568 H1 TIP3 124 -17.162 -7.499 -20.551 0.00 0.00 WAT1 ATOM 1569 H2 TIP3 124 -17.391 -6.107 -20.001 0.00 0.00 WAT1 ATOM 1570 OH2 TIP3 125 -18.788 7.673 -10.720 0.00 0.00 WAT1 ATOM 1571 H1 TIP3 125 -19.570 7.487 -11.240 0.00 0.00 WAT1 ATOM 1572 H2 TIP3 125 -18.860 8.602 -10.503 0.00 0.00 WAT1 ATOM 1573 OH2 TIP3 126 -23.488 8.858 0.099 0.00 0.00 WAT1 ATOM 1574 H1 TIP3 126 -22.868 8.181 -0.174 0.00 0.00 WAT1 ATOM 1575 H2 TIP3 126 -23.696 8.640 1.007 0.00 0.00 WAT1 ATOM 1576 OH2 TIP3 127 -29.620 -4.258 -0.409 0.00 0.00 WAT1 ATOM 1577 H1 TIP3 127 -29.577 -3.398 -0.827 0.00 0.00 WAT1 ATOM 1578 H2 TIP3 127 -30.078 -4.810 -1.042 0.00 0.00 WAT1 ATOM 1579 OH2 TIP3 128 -27.844 -0.311 -0.431 0.00 0.00 WAT1 ATOM 1580 H1 TIP3 128 -27.228 -0.837 0.078 0.00 0.00 WAT1 ATOM 1581 H2 TIP3 128 -28.430 -0.951 -0.835 0.00 0.00 WAT1 ATOM 1582 OH2 TIP3 129 -28.241 2.336 3.953 0.00 0.00 WAT1 ATOM 1583 H1 TIP3 129 -28.981 2.934 4.056 0.00 0.00 WAT1 ATOM 1584 H2 TIP3 129 -27.527 2.890 3.637 0.00 0.00 WAT1 ATOM 1585 OH2 TIP3 130 -26.784 -8.034 1.118 0.00 0.00 WAT1 ATOM 1586 H1 TIP3 130 -26.901 -8.983 1.064 0.00 0.00 WAT1 ATOM 1587 H2 TIP3 130 -27.639 -7.702 1.391 0.00 0.00 WAT1 ATOM 1588 OH2 TIP3 131 -29.466 1.643 -1.547 0.00 0.00 WAT1 ATOM 1589 H1 TIP3 131 -29.796 1.273 -2.366 0.00 0.00 WAT1 ATOM 1590 H2 TIP3 131 -28.878 0.973 -1.201 0.00 0.00 WAT1 ATOM 1591 OH2 TIP3 132 -28.099 5.071 1.134 0.00 0.00 WAT1 ATOM 1592 H1 TIP3 132 -28.194 4.493 0.377 0.00 0.00 WAT1 ATOM 1593 H2 TIP3 132 -27.370 4.700 1.630 0.00 0.00 WAT1 ATOM 1594 OH2 TIP3 133 -29.099 0.412 2.086 0.00 0.00 WAT1 ATOM 1595 H1 TIP3 133 -28.534 0.533 1.323 0.00 0.00 WAT1 ATOM 1596 H2 TIP3 133 -28.780 1.049 2.725 0.00 0.00 WAT1 ATOM 1597 OH2 TIP3 134 -24.514 6.912 -2.310 0.00 0.00 WAT1 ATOM 1598 H1 TIP3 134 -24.040 7.207 -1.532 0.00 0.00 WAT1 ATOM 1599 H2 TIP3 134 -25.077 7.650 -2.543 0.00 0.00 WAT1 ATOM 1600 OH2 TIP3 135 -30.476 0.713 -3.958 0.00 0.00 WAT1 ATOM 1601 H1 TIP3 135 -30.768 1.481 -4.449 0.00 0.00 WAT1 ATOM 1602 H2 TIP3 135 -31.150 0.053 -4.121 0.00 0.00 WAT1 ATOM 1603 OH2 TIP3 136 -17.352 6.291 -7.555 0.00 0.00 WAT1 ATOM 1604 H1 TIP3 136 -17.279 7.230 -7.385 0.00 0.00 WAT1 ATOM 1605 H2 TIP3 136 -16.447 5.986 -7.612 0.00 0.00 WAT1 ATOM 1606 OH2 TIP3 137 -25.456 6.096 6.299 0.00 0.00 WAT1 ATOM 1607 H1 TIP3 137 -25.369 6.922 6.774 0.00 0.00 WAT1 ATOM 1608 H2 TIP3 137 -26.320 5.766 6.548 0.00 0.00 WAT1 ATOM 1609 OH2 TIP3 138 -25.042 9.868 -3.895 0.00 0.00 WAT1 ATOM 1610 H1 TIP3 138 -25.117 9.747 -4.841 0.00 0.00 WAT1 ATOM 1611 H2 TIP3 138 -25.009 10.818 -3.776 0.00 0.00 WAT1 ATOM 1612 OH2 TIP3 139 -21.940 9.022 -6.892 0.00 0.00 WAT1 ATOM 1613 H1 TIP3 139 -21.565 8.278 -7.363 0.00 0.00 WAT1 ATOM 1614 H2 TIP3 139 -21.936 8.752 -5.974 0.00 0.00 WAT1 ATOM 1615 OH2 TIP3 140 -22.271 8.948 -4.143 0.00 0.00 WAT1 ATOM 1616 H1 TIP3 140 -23.206 9.048 -3.964 0.00 0.00 WAT1 ATOM 1617 H2 TIP3 140 -21.991 8.239 -3.565 0.00 0.00 WAT1 ATOM 1618 OH2 TIP3 141 -24.852 -7.409 5.270 0.00 0.00 WAT1 ATOM 1619 H1 TIP3 141 -24.432 -7.824 6.023 0.00 0.00 WAT1 ATOM 1620 H2 TIP3 141 -25.785 -7.587 5.387 0.00 0.00 WAT1 ATOM 1621 OH2 TIP3 142 -25.190 -4.916 -7.445 0.00 0.00 WAT1 ATOM 1622 H1 TIP3 142 -25.444 -4.897 -6.522 0.00 0.00 WAT1 ATOM 1623 H2 TIP3 142 -25.447 -5.788 -7.746 0.00 0.00 WAT1 ATOM 1624 OH2 TIP3 143 -29.424 -2.165 2.991 0.00 0.00 WAT1 ATOM 1625 H1 TIP3 143 -30.066 -2.206 3.700 0.00 0.00 WAT1 ATOM 1626 H2 TIP3 143 -29.387 -1.239 2.753 0.00 0.00 WAT1 ATOM 1627 OH2 TIP3 144 -29.427 -1.944 -2.097 0.00 0.00 WAT1 ATOM 1628 H1 TIP3 144 -30.320 -2.285 -2.156 0.00 0.00 WAT1 ATOM 1629 H2 TIP3 144 -28.976 -2.321 -2.853 0.00 0.00 WAT1 ATOM 1630 OH2 TIP3 145 -24.789 -1.353 8.208 0.00 0.00 WAT1 ATOM 1631 H1 TIP3 145 -25.352 -2.057 8.528 0.00 0.00 WAT1 ATOM 1632 H2 TIP3 145 -23.963 -1.473 8.675 0.00 0.00 WAT1 ATOM 1633 OH2 TIP3 146 -26.845 -4.517 -1.011 0.00 0.00 WAT1 ATOM 1634 H1 TIP3 146 -27.756 -4.460 -0.722 0.00 0.00 WAT1 ATOM 1635 H2 TIP3 146 -26.340 -4.577 -0.200 0.00 0.00 WAT1 ATOM 1636 OH2 TIP3 147 -28.364 -2.888 -4.528 0.00 0.00 WAT1 ATOM 1637 H1 TIP3 147 -27.432 -2.759 -4.350 0.00 0.00 WAT1 ATOM 1638 H2 TIP3 147 -28.579 -2.218 -5.177 0.00 0.00 WAT1 ATOM 1639 OH2 TIP3 148 -29.690 -1.693 -6.961 0.00 0.00 WAT1 ATOM 1640 H1 TIP3 148 -30.232 -2.073 -7.652 0.00 0.00 WAT1 ATOM 1641 H2 TIP3 148 -28.856 -1.499 -7.390 0.00 0.00 WAT1 ATOM 1642 OH2 TIP3 149 -19.153 10.390 8.530 0.00 0.00 WAT1 ATOM 1643 H1 TIP3 149 -18.953 10.814 7.695 0.00 0.00 WAT1 ATOM 1644 H2 TIP3 149 -18.497 10.733 9.137 0.00 0.00 WAT1 ATOM 1645 OH2 TIP3 150 -26.899 -3.341 3.290 0.00 0.00 WAT1 ATOM 1646 H1 TIP3 150 -27.734 -2.887 3.400 0.00 0.00 WAT1 ATOM 1647 H2 TIP3 150 -26.375 -3.065 4.042 0.00 0.00 WAT1 ATOM 1648 OH2 TIP3 151 -22.457 -4.314 -6.826 0.00 0.00 WAT1 ATOM 1649 H1 TIP3 151 -23.395 -4.202 -6.977 0.00 0.00 WAT1 ATOM 1650 H2 TIP3 151 -22.160 -3.457 -6.520 0.00 0.00 WAT1 ATOM 1651 OH2 TIP3 152 -24.835 3.056 6.212 0.00 0.00 WAT1 ATOM 1652 H1 TIP3 152 -25.181 2.675 7.018 0.00 0.00 WAT1 ATOM 1653 H2 TIP3 152 -25.035 3.990 6.283 0.00 0.00 WAT1 ATOM 1654 OH2 TIP3 153 -21.739 -2.447 -5.165 0.00 0.00 WAT1 ATOM 1655 H1 TIP3 153 -20.847 -2.584 -4.846 0.00 0.00 WAT1 ATOM 1656 H2 TIP3 153 -21.682 -1.656 -5.702 0.00 0.00 WAT1 ATOM 1657 OH2 TIP3 154 -31.230 2.167 0.744 0.00 0.00 WAT1 ATOM 1658 H1 TIP3 154 -30.485 2.165 0.143 0.00 0.00 WAT1 ATOM 1659 H2 TIP3 154 -31.152 1.343 1.226 0.00 0.00 WAT1 ATOM 1660 OH2 TIP3 155 -27.205 0.145 8.272 0.00 0.00 WAT1 ATOM 1661 H1 TIP3 155 -27.501 -0.021 7.377 0.00 0.00 WAT1 ATOM 1662 H2 TIP3 155 -26.274 -0.075 8.262 0.00 0.00 WAT1 ATOM 1663 OH2 TIP3 156 -22.585 5.518 6.162 0.00 0.00 WAT1 ATOM 1664 H1 TIP3 156 -23.486 5.701 5.894 0.00 0.00 WAT1 ATOM 1665 H2 TIP3 156 -22.551 5.777 7.083 0.00 0.00 WAT1 ATOM 1666 OH2 TIP3 157 -18.558 6.549 -5.006 0.00 0.00 WAT1 ATOM 1667 H1 TIP3 157 -18.931 5.723 -4.696 0.00 0.00 WAT1 ATOM 1668 H2 TIP3 157 -18.281 6.366 -5.903 0.00 0.00 WAT1 ATOM 1669 OH2 TIP3 158 -28.855 5.685 -1.851 0.00 0.00 WAT1 ATOM 1670 H1 TIP3 158 -28.328 6.458 -2.052 0.00 0.00 WAT1 ATOM 1671 H2 TIP3 158 -29.735 5.910 -2.153 0.00 0.00 WAT1 ATOM 1672 OH2 TIP3 159 -27.428 3.348 -2.275 0.00 0.00 WAT1 ATOM 1673 H1 TIP3 159 -27.669 4.273 -2.233 0.00 0.00 WAT1 ATOM 1674 H2 TIP3 159 -28.168 2.889 -1.879 0.00 0.00 WAT1 ATOM 1675 OH2 TIP3 160 -20.710 8.148 6.210 0.00 0.00 WAT1 ATOM 1676 H1 TIP3 160 -21.312 7.593 5.715 0.00 0.00 WAT1 ATOM 1677 H2 TIP3 160 -20.429 8.815 5.584 0.00 0.00 WAT1 ATOM 1678 OH2 TIP3 161 -16.662 9.005 -6.984 0.00 0.00 WAT1 ATOM 1679 H1 TIP3 161 -15.919 9.591 -7.124 0.00 0.00 WAT1 ATOM 1680 H2 TIP3 161 -17.357 9.573 -6.651 0.00 0.00 WAT1 ATOM 1681 OH2 TIP3 162 -27.075 5.637 -8.738 0.00 0.00 WAT1 ATOM 1682 H1 TIP3 162 -26.836 4.889 -9.286 0.00 0.00 WAT1 ATOM 1683 H2 TIP3 162 -27.344 5.249 -7.906 0.00 0.00 WAT1 ATOM 1684 OH2 TIP3 163 -28.138 5.207 -6.282 0.00 0.00 WAT1 ATOM 1685 H1 TIP3 163 -27.991 4.687 -5.492 0.00 0.00 WAT1 ATOM 1686 H2 TIP3 163 -28.141 6.114 -5.976 0.00 0.00 WAT1 ATOM 1687 OH2 TIP3 164 -23.853 -4.878 4.507 0.00 0.00 WAT1 ATOM 1688 H1 TIP3 164 -23.155 -4.804 5.157 0.00 0.00 WAT1 ATOM 1689 H2 TIP3 164 -24.234 -5.742 4.662 0.00 0.00 WAT1 ATOM 1690 OH2 TIP3 165 -25.400 6.905 -5.533 0.00 0.00 WAT1 ATOM 1691 H1 TIP3 165 -26.217 7.402 -5.480 0.00 0.00 WAT1 ATOM 1692 H2 TIP3 165 -24.871 7.380 -6.173 0.00 0.00 WAT1 ATOM 1693 OH2 TIP3 166 -25.869 -3.498 -3.561 0.00 0.00 WAT1 ATOM 1694 H1 TIP3 166 -25.057 -2.994 -3.515 0.00 0.00 WAT1 ATOM 1695 H2 TIP3 166 -26.114 -3.643 -2.647 0.00 0.00 WAT1 ATOM 1696 OH2 TIP3 167 -25.333 -2.512 5.624 0.00 0.00 WAT1 ATOM 1697 H1 TIP3 167 -25.214 -1.938 6.381 0.00 0.00 WAT1 ATOM 1698 H2 TIP3 167 -24.678 -3.200 5.739 0.00 0.00 WAT1 ATOM 1699 OH2 TIP3 168 -24.985 -6.417 -2.623 0.00 0.00 WAT1 ATOM 1700 H1 TIP3 168 -25.332 -5.799 -1.978 0.00 0.00 WAT1 ATOM 1701 H2 TIP3 168 -24.327 -5.916 -3.104 0.00 0.00 WAT1 ATOM 1702 OH2 TIP3 169 -28.062 7.948 -5.551 0.00 0.00 WAT1 ATOM 1703 H1 TIP3 169 -27.901 8.748 -6.052 0.00 0.00 WAT1 ATOM 1704 H2 TIP3 169 -28.259 8.255 -4.666 0.00 0.00 WAT1 ATOM 1705 OH2 TIP3 170 -25.037 7.500 -8.600 0.00 0.00 WAT1 ATOM 1706 H1 TIP3 170 -25.681 6.869 -8.278 0.00 0.00 WAT1 ATOM 1707 H2 TIP3 170 -24.275 6.969 -8.832 0.00 0.00 WAT1 ATOM 1708 OH2 TIP3 171 -22.552 6.372 8.754 0.00 0.00 WAT1 ATOM 1709 H1 TIP3 171 -22.903 5.516 8.997 0.00 0.00 WAT1 ATOM 1710 H2 TIP3 171 -21.826 6.515 9.361 0.00 0.00 WAT1 ATOM 1711 OH2 TIP3 172 -20.433 7.317 -8.366 0.00 0.00 WAT1 ATOM 1712 H1 TIP3 172 -20.150 6.523 -7.913 0.00 0.00 WAT1 ATOM 1713 H2 TIP3 172 -19.693 7.550 -8.927 0.00 0.00 WAT1 ATOM 1714 OH2 TIP3 173 -29.478 3.227 -8.509 0.00 0.00 WAT1 ATOM 1715 H1 TIP3 173 -29.414 2.433 -7.978 0.00 0.00 WAT1 ATOM 1716 H2 TIP3 173 -28.825 3.108 -9.198 0.00 0.00 WAT1 ATOM 1717 OH2 TIP3 174 -27.164 2.853 8.792 0.00 0.00 WAT1 ATOM 1718 H1 TIP3 174 -27.492 3.124 7.934 0.00 0.00 WAT1 ATOM 1719 H2 TIP3 174 -27.012 1.912 8.704 0.00 0.00 WAT1 ATOM 1720 OH2 TIP3 175 -28.329 1.199 -6.203 0.00 0.00 WAT1 ATOM 1721 H1 TIP3 175 -28.788 0.715 -5.517 0.00 0.00 WAT1 ATOM 1722 H2 TIP3 175 -28.074 0.531 -6.839 0.00 0.00 WAT1 ATOM 1723 OH2 TIP3 176 -27.258 -0.558 -7.940 0.00 0.00 WAT1 ATOM 1724 H1 TIP3 176 -27.438 -0.712 -8.868 0.00 0.00 WAT1 ATOM 1725 H2 TIP3 176 -26.307 -0.450 -7.896 0.00 0.00 WAT1 ATOM 1726 OH2 TIP3 177 -24.020 1.563 9.431 0.00 0.00 WAT1 ATOM 1727 H1 TIP3 177 -23.067 1.647 9.403 0.00 0.00 WAT1 ATOM 1728 H2 TIP3 177 -24.180 0.852 10.050 0.00 0.00 WAT1 ATOM 1729 OH2 TIP3 178 -26.706 0.256 4.968 0.00 0.00 WAT1 ATOM 1730 H1 TIP3 178 -25.955 0.100 4.395 0.00 0.00 WAT1 ATOM 1731 H2 TIP3 178 -27.045 1.108 4.692 0.00 0.00 WAT1 ATOM 1732 OH2 TIP3 179 -22.290 -1.929 9.996 0.00 0.00 WAT1 ATOM 1733 H1 TIP3 179 -22.098 -2.860 9.885 0.00 0.00 WAT1 ATOM 1734 H2 TIP3 179 -21.433 -1.504 9.986 0.00 0.00 WAT1 ATOM 1735 OH2 TIP3 180 -27.482 -7.727 5.160 0.00 0.00 WAT1 ATOM 1736 H1 TIP3 180 -27.580 -6.780 5.054 0.00 0.00 WAT1 ATOM 1737 H2 TIP3 180 -28.225 -8.099 4.684 0.00 0.00 WAT1 ATOM 1738 OH2 TIP3 181 -26.218 -3.405 8.723 0.00 0.00 WAT1 ATOM 1739 H1 TIP3 181 -26.454 -3.625 9.625 0.00 0.00 WAT1 ATOM 1740 H2 TIP3 181 -27.001 -3.612 8.214 0.00 0.00 WAT1 ATOM 1741 OH2 TIP3 182 -23.502 -4.278 7.799 0.00 0.00 WAT1 ATOM 1742 H1 TIP3 182 -24.450 -4.246 7.931 0.00 0.00 WAT1 ATOM 1743 H2 TIP3 182 -23.190 -4.903 8.453 0.00 0.00 WAT1 ATOM 1744 OH2 TIP3 183 -21.868 -5.644 9.804 0.00 0.00 WAT1 ATOM 1745 H1 TIP3 183 -21.965 -6.596 9.798 0.00 0.00 WAT1 ATOM 1746 H2 TIP3 183 -22.190 -5.375 10.665 0.00 0.00 WAT1 ATOM 1747 OH2 TIP3 184 -16.724 9.052 2.406 0.00 0.00 WAT1 ATOM 1748 H1 TIP3 184 -16.746 9.237 3.345 0.00 0.00 WAT1 ATOM 1749 H2 TIP3 184 -16.034 9.621 2.065 0.00 0.00 WAT1 ATOM 1750 OH2 TIP3 185 -17.161 8.619 5.328 0.00 0.00 WAT1 ATOM 1751 H1 TIP3 185 -17.648 7.884 4.957 0.00 0.00 WAT1 ATOM 1752 H2 TIP3 185 -16.612 8.226 6.006 0.00 0.00 WAT1 ATOM 1753 OH2 TIP3 186 -18.710 4.409 9.966 0.00 0.00 WAT1 ATOM 1754 H1 TIP3 186 -19.576 4.304 10.360 0.00 0.00 WAT1 ATOM 1755 H2 TIP3 186 -18.334 5.168 10.413 0.00 0.00 WAT1 ATOM 1756 OH2 TIP3 187 -16.594 -7.879 9.895 0.00 0.00 WAT1 ATOM 1757 H1 TIP3 187 -16.244 -8.533 9.289 0.00 0.00 WAT1 ATOM 1758 H2 TIP3 187 -16.447 -7.042 9.455 0.00 0.00 WAT1 ATOM 1759 OH2 TIP3 188 -25.067 9.790 3.033 0.00 0.00 WAT1 ATOM 1760 H1 TIP3 188 -25.524 10.319 2.379 0.00 0.00 WAT1 ATOM 1761 H2 TIP3 188 -24.904 10.393 3.758 0.00 0.00 WAT1 ATOM 1762 OH2 TIP3 189 -22.740 8.668 3.978 0.00 0.00 WAT1 ATOM 1763 H1 TIP3 189 -23.644 8.833 3.712 0.00 0.00 WAT1 ATOM 1764 H2 TIP3 189 -22.311 9.521 3.912 0.00 0.00 WAT1 ATOM 1765 OH2 TIP3 190 -20.135 10.238 4.273 0.00 0.00 WAT1 ATOM 1766 H1 TIP3 190 -20.317 11.154 4.062 0.00 0.00 WAT1 ATOM 1767 H2 TIP3 190 -19.959 9.828 3.426 0.00 0.00 WAT1 ATOM 1768 OH2 TIP3 191 -24.643 -6.231 0.386 0.00 0.00 WAT1 ATOM 1769 H1 TIP3 191 -25.318 -6.860 0.641 0.00 0.00 WAT1 ATOM 1770 H2 TIP3 191 -24.079 -6.715 -0.217 0.00 0.00 WAT1 ATOM 1771 OH2 TIP3 192 -27.737 -7.670 -1.979 0.00 0.00 WAT1 ATOM 1772 H1 TIP3 192 -26.863 -7.282 -2.009 0.00 0.00 WAT1 ATOM 1773 H2 TIP3 192 -27.873 -7.885 -1.056 0.00 0.00 WAT1 ATOM 1774 OH2 TIP3 193 -26.593 -5.590 -5.089 0.00 0.00 WAT1 ATOM 1775 H1 TIP3 193 -26.415 -6.236 -4.406 0.00 0.00 WAT1 ATOM 1776 H2 TIP3 193 -26.647 -4.756 -4.622 0.00 0.00 WAT1 ATOM 1777 OH2 TIP3 194 -24.715 9.359 -6.694 0.00 0.00 WAT1 ATOM 1778 H1 TIP3 194 -23.849 9.725 -6.872 0.00 0.00 WAT1 ATOM 1779 H2 TIP3 194 -24.962 8.919 -7.507 0.00 0.00 WAT1 ATOM 1780 OH2 TIP3 195 -18.006 8.922 -4.014 0.00 0.00 WAT1 ATOM 1781 H1 TIP3 195 -18.200 8.174 -4.579 0.00 0.00 WAT1 ATOM 1782 H2 TIP3 195 -18.045 9.680 -4.598 0.00 0.00 WAT1 ATOM 1783 OH2 TIP3 196 -21.964 -8.400 9.443 0.00 0.00 WAT1 ATOM 1784 H1 TIP3 196 -21.888 -8.826 10.297 0.00 0.00 WAT1 ATOM 1785 H2 TIP3 196 -21.071 -8.386 9.101 0.00 0.00 WAT1 ATOM 1786 OH2 TIP3 197 -18.788 7.673 8.136 0.00 0.00 WAT1 ATOM 1787 H1 TIP3 197 -19.570 7.487 7.616 0.00 0.00 WAT1 ATOM 1788 H2 TIP3 197 -18.860 8.602 8.353 0.00 0.00 WAT1 ATOM 1789 OH2 TIP3 198 -18.542 -8.075 12.924 0.00 0.00 WAT1 ATOM 1790 H1 TIP3 198 -19.441 -7.936 13.219 0.00 0.00 WAT1 ATOM 1791 H2 TIP3 198 -18.290 -7.244 12.522 0.00 0.00 WAT1 ATOM 1792 OH2 TIP3 199 -17.352 6.291 11.301 0.00 0.00 WAT1 ATOM 1793 H1 TIP3 199 -17.279 7.230 11.471 0.00 0.00 WAT1 ATOM 1794 H2 TIP3 199 -16.447 5.986 11.244 0.00 0.00 WAT1 ATOM 1795 OH2 TIP3 200 -20.763 1.208 10.741 0.00 0.00 WAT1 ATOM 1796 H1 TIP3 200 -20.721 0.985 9.811 0.00 0.00 WAT1 ATOM 1797 H2 TIP3 200 -19.914 1.606 10.931 0.00 0.00 WAT1 ATOM 1798 OH2 TIP3 201 -22.457 -4.314 12.030 0.00 0.00 WAT1 ATOM 1799 H1 TIP3 201 -23.395 -4.202 11.879 0.00 0.00 WAT1 ATOM 1800 H2 TIP3 201 -22.160 -3.457 12.336 0.00 0.00 WAT1 ATOM 1801 OH2 TIP3 202 -16.854 -2.237 13.385 0.00 0.00 WAT1 ATOM 1802 H1 TIP3 202 -17.408 -2.633 12.713 0.00 0.00 WAT1 ATOM 1803 H2 TIP3 202 -16.753 -1.327 13.108 0.00 0.00 WAT1 ATOM 1804 OH2 TIP3 203 -18.558 6.549 13.850 0.00 0.00 WAT1 ATOM 1805 H1 TIP3 203 -18.931 5.723 14.160 0.00 0.00 WAT1 ATOM 1806 H2 TIP3 203 -18.281 6.366 12.953 0.00 0.00 WAT1 ATOM 1807 OH2 TIP3 204 -21.166 4.525 11.671 0.00 0.00 WAT1 ATOM 1808 H1 TIP3 204 -20.813 4.145 12.475 0.00 0.00 WAT1 ATOM 1809 H2 TIP3 204 -22.115 4.432 11.757 0.00 0.00 WAT1 ATOM 1810 OH2 TIP3 205 -20.433 7.317 10.490 0.00 0.00 WAT1 ATOM 1811 H1 TIP3 205 -20.150 6.523 10.943 0.00 0.00 WAT1 ATOM 1812 H2 TIP3 205 -19.693 7.550 9.929 0.00 0.00 WAT1 ATOM 1813 OH2 TIP3 206 -24.126 4.274 10.083 0.00 0.00 WAT1 ATOM 1814 H1 TIP3 206 -24.394 4.454 10.984 0.00 0.00 WAT1 ATOM 1815 H2 TIP3 206 -24.332 3.348 9.952 0.00 0.00 WAT1 ATOM 1816 OH2 TIP3 207 -17.868 1.797 10.361 0.00 0.00 WAT1 ATOM 1817 H1 TIP3 207 -18.141 1.372 9.548 0.00 0.00 WAT1 ATOM 1818 H2 TIP3 207 -17.828 2.728 10.144 0.00 0.00 WAT1 ATOM 1819 OH2 TIP3 208 -17.409 2.666 14.336 0.00 0.00 WAT1 ATOM 1820 H1 TIP3 208 -16.559 3.087 14.464 0.00 0.00 WAT1 ATOM 1821 H2 TIP3 208 -17.404 1.926 14.944 0.00 0.00 WAT1 ATOM 1822 OH2 TIP3 209 -16.747 0.620 12.551 0.00 0.00 WAT1 ATOM 1823 H1 TIP3 209 -17.268 0.977 11.832 0.00 0.00 WAT1 ATOM 1824 H2 TIP3 209 -16.780 1.295 13.229 0.00 0.00 WAT1 ATOM 1825 OH2 TIP3 210 -18.398 -2.140 11.102 0.00 0.00 WAT1 ATOM 1826 H1 TIP3 210 -18.301 -1.473 10.422 0.00 0.00 WAT1 ATOM 1827 H2 TIP3 210 -18.538 -2.956 10.620 0.00 0.00 WAT1 ATOM 1828 OH2 TIP3 211 -19.150 -4.732 10.219 0.00 0.00 WAT1 ATOM 1829 H1 TIP3 211 -18.540 -5.104 10.856 0.00 0.00 WAT1 ATOM 1830 H2 TIP3 211 -19.987 -5.154 10.415 0.00 0.00 WAT1 ATOM 1831 OH2 TIP3 212 -17.038 -5.847 11.762 0.00 0.00 WAT1 ATOM 1832 H1 TIP3 212 -16.625 -6.568 11.286 0.00 0.00 WAT1 ATOM 1833 H2 TIP3 212 -16.356 -5.177 11.820 0.00 0.00 WAT1 ATOM 1834 OH2 TIP3 213 -18.006 8.922 14.842 0.00 0.00 WAT1 ATOM 1835 H1 TIP3 213 -18.200 8.174 14.277 0.00 0.00 WAT1 ATOM 1836 H2 TIP3 213 -18.045 9.680 14.258 0.00 0.00 WAT1 ATOM 1837 OH2 TIP3 214 -16.594 10.977 -8.961 0.00 0.00 WAT1 ATOM 1838 H1 TIP3 214 -16.244 10.323 -9.567 0.00 0.00 WAT1 ATOM 1839 H2 TIP3 214 -16.447 11.814 -9.401 0.00 0.00 WAT1 ATOM 1840 OH2 TIP3 215 -18.073 11.176 -12.793 0.00 0.00 WAT1 ATOM 1841 H1 TIP3 215 -18.886 11.501 -13.181 0.00 0.00 WAT1 ATOM 1842 H2 TIP3 215 -17.840 10.416 -13.326 0.00 0.00 WAT1 ATOM 1843 OH2 TIP3 216 -21.964 10.456 -9.413 0.00 0.00 WAT1 ATOM 1844 H1 TIP3 216 -21.888 10.030 -8.559 0.00 0.00 WAT1 ATOM 1845 H2 TIP3 216 -21.071 10.470 -9.755 0.00 0.00 WAT1 ATOM 1846 OH2 TIP3 217 -16.861 15.182 5.088 0.00 0.00 WAT1 ATOM 1847 H1 TIP3 217 -17.550 15.840 4.993 0.00 0.00 WAT1 ATOM 1848 H2 TIP3 217 -16.846 14.985 6.025 0.00 0.00 WAT1 ATOM 1849 OH2 TIP3 218 -18.542 10.781 -5.932 0.00 0.00 WAT1 ATOM 1850 H1 TIP3 218 -19.441 10.920 -5.637 0.00 0.00 WAT1 ATOM 1851 H2 TIP3 218 -18.290 11.612 -6.334 0.00 0.00 WAT1 ATOM 1852 OH2 TIP3 219 -16.594 10.977 9.895 0.00 0.00 WAT1 ATOM 1853 H1 TIP3 219 -16.244 10.323 9.289 0.00 0.00 WAT1 ATOM 1854 H2 TIP3 219 -16.447 11.814 9.455 0.00 0.00 WAT1 ATOM 1855 OH2 TIP3 220 -17.074 13.086 8.244 0.00 0.00 WAT1 ATOM 1856 H1 TIP3 220 -17.991 13.357 8.208 0.00 0.00 WAT1 ATOM 1857 H2 TIP3 220 -16.951 12.551 7.460 0.00 0.00 WAT1 ATOM 1858 OH2 TIP3 221 -18.073 11.176 6.063 0.00 0.00 WAT1 ATOM 1859 H1 TIP3 221 -18.886 11.501 5.675 0.00 0.00 WAT1 ATOM 1860 H2 TIP3 221 -17.840 10.416 5.530 0.00 0.00 WAT1 ATOM 1861 OH2 TIP3 222 -19.501 10.732 0.498 0.00 0.00 WAT1 ATOM 1862 H1 TIP3 222 -18.897 11.280 -0.003 0.00 0.00 WAT1 ATOM 1863 H2 TIP3 222 -20.370 11.052 0.258 0.00 0.00 WAT1 ATOM 1864 OH2 TIP3 223 -17.774 11.871 -1.168 0.00 0.00 WAT1 ATOM 1865 H1 TIP3 223 -17.162 11.357 -1.695 0.00 0.00 WAT1 ATOM 1866 H2 TIP3 223 -17.391 12.749 -1.145 0.00 0.00 WAT1 ATOM 1867 OH2 TIP3 224 -22.180 11.216 -0.330 0.00 0.00 WAT1 ATOM 1868 H1 TIP3 224 -22.104 11.311 -1.279 0.00 0.00 WAT1 ATOM 1869 H2 TIP3 224 -22.456 10.308 -0.201 0.00 0.00 WAT1 ATOM 1870 OH2 TIP3 225 -20.827 11.242 -4.637 0.00 0.00 WAT1 ATOM 1871 H1 TIP3 225 -21.530 11.856 -4.847 0.00 0.00 WAT1 ATOM 1872 H2 TIP3 225 -21.272 10.404 -4.506 0.00 0.00 WAT1 ATOM 1873 OH2 TIP3 226 -18.542 10.781 12.924 0.00 0.00 WAT1 ATOM 1874 H1 TIP3 226 -19.441 10.920 13.219 0.00 0.00 WAT1 ATOM 1875 H2 TIP3 226 -18.290 11.612 12.522 0.00 0.00 WAT1 ATOM 1876 OH2 TIP3 227 -17.038 13.009 11.762 0.00 0.00 WAT1 ATOM 1877 H1 TIP3 227 -16.625 12.288 11.286 0.00 0.00 WAT1 ATOM 1878 H2 TIP3 227 -16.356 13.679 11.820 0.00 0.00 WAT1 ATOM 1879 OH2 TIP3 228 -12.157 -13.977 -17.143 0.00 0.00 WAT1 ATOM 1880 H1 TIP3 228 -12.527 -14.779 -17.512 0.00 0.00 WAT1 ATOM 1881 H2 TIP3 228 -11.216 -14.146 -17.096 0.00 0.00 WAT1 ATOM 1882 OH2 TIP3 229 -4.632 -9.998 -18.757 0.00 0.00 WAT1 ATOM 1883 H1 TIP3 229 -4.012 -10.675 -19.030 0.00 0.00 WAT1 ATOM 1884 H2 TIP3 229 -4.840 -10.216 -17.849 0.00 0.00 WAT1 ATOM 1885 OH2 TIP3 230 -7.060 -15.609 -16.865 0.00 0.00 WAT1 ATOM 1886 H1 TIP3 230 -6.756 -16.295 -17.459 0.00 0.00 WAT1 ATOM 1887 H2 TIP3 230 -6.338 -15.491 -16.247 0.00 0.00 WAT1 ATOM 1888 OH2 TIP3 231 -9.385 -16.520 -14.903 0.00 0.00 WAT1 ATOM 1889 H1 TIP3 231 -10.125 -15.922 -14.800 0.00 0.00 WAT1 ATOM 1890 H2 TIP3 231 -8.671 -15.966 -15.219 0.00 0.00 WAT1 ATOM 1891 OH2 TIP3 232 -10.977 -14.556 -14.116 0.00 0.00 WAT1 ATOM 1892 H1 TIP3 232 -10.983 -13.677 -14.494 0.00 0.00 WAT1 ATOM 1893 H2 TIP3 232 -11.831 -14.639 -13.691 0.00 0.00 WAT1 ATOM 1894 OH2 TIP3 233 -9.243 -13.785 -17.722 0.00 0.00 WAT1 ATOM 1895 H1 TIP3 233 -9.338 -14.363 -18.479 0.00 0.00 WAT1 ATOM 1896 H2 TIP3 233 -8.514 -14.156 -17.226 0.00 0.00 WAT1 ATOM 1897 OH2 TIP3 234 -3.934 -12.941 -16.036 0.00 0.00 WAT1 ATOM 1898 H1 TIP3 234 -4.175 -12.279 -15.388 0.00 0.00 WAT1 ATOM 1899 H2 TIP3 234 -4.132 -13.775 -15.611 0.00 0.00 WAT1 ATOM 1900 OH2 TIP3 235 -12.443 -17.847 -12.824 0.00 0.00 WAT1 ATOM 1901 H1 TIP3 235 -12.373 -17.196 -12.126 0.00 0.00 WAT1 ATOM 1902 H2 TIP3 235 -13.334 -17.744 -13.159 0.00 0.00 WAT1 ATOM 1903 OH2 TIP3 236 -15.527 -15.780 -13.999 0.00 0.00 WAT1 ATOM 1904 H1 TIP3 236 -16.028 -15.808 -14.814 0.00 0.00 WAT1 ATOM 1905 H2 TIP3 236 -15.521 -16.686 -13.689 0.00 0.00 WAT1 ATOM 1906 OH2 TIP3 237 -15.776 -13.000 -17.115 0.00 0.00 WAT1 ATOM 1907 H1 TIP3 237 -14.830 -13.144 -17.134 0.00 0.00 WAT1 ATOM 1908 H2 TIP3 237 -15.889 -12.216 -16.578 0.00 0.00 WAT1 ATOM 1909 OH2 TIP3 238 2.421 -12.334 -11.433 0.00 0.00 WAT1 ATOM 1910 H1 TIP3 238 2.372 -13.289 -11.470 0.00 0.00 WAT1 ATOM 1911 H2 TIP3 238 1.595 -12.066 -11.031 0.00 0.00 WAT1 ATOM 1912 OH2 TIP3 239 -12.532 -10.199 -20.970 0.00 0.00 WAT1 ATOM 1913 H1 TIP3 239 -12.380 -10.547 -20.091 0.00 0.00 WAT1 ATOM 1914 H2 TIP3 239 -13.383 -10.555 -21.225 0.00 0.00 WAT1 ATOM 1915 OH2 TIP3 240 -5.979 -15.800 -12.644 0.00 0.00 WAT1 ATOM 1916 H1 TIP3 240 -6.325 -16.181 -11.838 0.00 0.00 WAT1 ATOM 1917 H2 TIP3 240 -6.179 -14.866 -12.573 0.00 0.00 WAT1 ATOM 1918 OH2 TIP3 241 -12.374 -16.689 -18.112 0.00 0.00 WAT1 ATOM 1919 H1 TIP3 241 -11.629 -16.691 -18.713 0.00 0.00 WAT1 ATOM 1920 H2 TIP3 241 -12.296 -17.513 -17.630 0.00 0.00 WAT1 ATOM 1921 OH2 TIP3 242 -15.366 -18.228 -12.797 0.00 0.00 WAT1 ATOM 1922 H1 TIP3 242 -15.143 -18.646 -11.965 0.00 0.00 WAT1 ATOM 1923 H2 TIP3 242 -15.968 -18.841 -13.219 0.00 0.00 WAT1 ATOM 1924 OH2 TIP3 243 -8.349 -18.711 -10.584 0.00 0.00 WAT1 ATOM 1925 H1 TIP3 243 -8.645 -18.877 -11.479 0.00 0.00 WAT1 ATOM 1926 H2 TIP3 243 -7.418 -18.931 -10.594 0.00 0.00 WAT1 ATOM 1927 OH2 TIP3 244 -3.729 -13.338 -12.694 0.00 0.00 WAT1 ATOM 1928 H1 TIP3 244 -4.630 -13.155 -12.962 0.00 0.00 WAT1 ATOM 1929 H2 TIP3 244 -3.695 -13.079 -11.773 0.00 0.00 WAT1 ATOM 1930 OH2 TIP3 245 -9.999 -13.171 -20.707 0.00 0.00 WAT1 ATOM 1931 H1 TIP3 245 -9.472 -12.398 -20.908 0.00 0.00 WAT1 ATOM 1932 H2 TIP3 245 -10.879 -12.946 -21.009 0.00 0.00 WAT1 ATOM 1933 OH2 TIP3 246 -9.888 -10.486 -21.586 0.00 0.00 WAT1 ATOM 1934 H1 TIP3 246 -10.838 -10.381 -21.534 0.00 0.00 WAT1 ATOM 1935 H2 TIP3 246 -9.537 -9.666 -21.241 0.00 0.00 WAT1 ATOM 1936 OH2 TIP3 247 -4.513 -15.260 -15.115 0.00 0.00 WAT1 ATOM 1937 H1 TIP3 247 -4.939 -15.487 -14.289 0.00 0.00 WAT1 ATOM 1938 H2 TIP3 247 -3.932 -15.998 -15.298 0.00 0.00 WAT1 ATOM 1939 OH2 TIP3 248 -1.854 -10.708 -12.646 0.00 0.00 WAT1 ATOM 1940 H1 TIP3 248 -2.456 -11.263 -13.141 0.00 0.00 WAT1 ATOM 1941 H2 TIP3 248 -1.573 -10.041 -13.272 0.00 0.00 WAT1 ATOM 1942 OH2 TIP3 249 -0.584 -10.454 -16.679 0.00 0.00 WAT1 ATOM 1943 H1 TIP3 249 -0.740 -9.776 -17.336 0.00 0.00 WAT1 ATOM 1944 H2 TIP3 249 0.348 -10.382 -16.476 0.00 0.00 WAT1 ATOM 1945 OH2 TIP3 250 -14.159 -12.396 -21.781 0.00 0.00 WAT1 ATOM 1946 H1 TIP3 250 -14.991 -11.923 -21.754 0.00 0.00 WAT1 ATOM 1947 H2 TIP3 250 -13.613 -11.886 -22.380 0.00 0.00 WAT1 ATOM 1948 OH2 TIP3 251 -8.308 -16.003 -10.064 0.00 0.00 WAT1 ATOM 1949 H1 TIP3 251 -8.636 -15.732 -10.922 0.00 0.00 WAT1 ATOM 1950 H2 TIP3 251 -8.156 -16.944 -10.152 0.00 0.00 WAT1 ATOM 1951 OH2 TIP3 252 -2.573 -16.087 -12.681 0.00 0.00 WAT1 ATOM 1952 H1 TIP3 252 -1.828 -15.499 -12.801 0.00 0.00 WAT1 ATOM 1953 H2 TIP3 252 -3.330 -15.505 -12.618 0.00 0.00 WAT1 ATOM 1954 OH2 TIP3 253 -14.131 -18.773 -10.077 0.00 0.00 WAT1 ATOM 1955 H1 TIP3 253 -13.723 -19.630 -10.198 0.00 0.00 WAT1 ATOM 1956 H2 TIP3 253 -14.391 -18.758 -9.156 0.00 0.00 WAT1 ATOM 1957 OH2 TIP3 254 -5.164 -17.293 -9.425 0.00 0.00 WAT1 ATOM 1958 H1 TIP3 254 -4.211 -17.209 -9.453 0.00 0.00 WAT1 ATOM 1959 H2 TIP3 254 -5.324 -18.004 -8.806 0.00 0.00 WAT1 ATOM 1960 OH2 TIP3 255 -2.118 -17.996 -10.782 0.00 0.00 WAT1 ATOM 1961 H1 TIP3 255 -2.399 -17.287 -11.360 0.00 0.00 WAT1 ATOM 1962 H2 TIP3 255 -1.175 -18.069 -10.933 0.00 0.00 WAT1 ATOM 1963 OH2 TIP3 256 -16.287 -8.694 -21.235 0.00 0.00 WAT1 ATOM 1964 H1 TIP3 256 -16.934 -9.156 -21.768 0.00 0.00 WAT1 ATOM 1965 H2 TIP3 256 -15.932 -9.366 -20.652 0.00 0.00 WAT1 ATOM 1966 OH2 TIP3 257 -15.417 -10.613 -19.430 0.00 0.00 WAT1 ATOM 1967 H1 TIP3 257 -15.751 -11.494 -19.258 0.00 0.00 WAT1 ATOM 1968 H2 TIP3 257 -15.195 -10.268 -18.566 0.00 0.00 WAT1 ATOM 1969 OH2 TIP3 258 2.132 -9.804 -16.450 0.00 0.00 WAT1 ATOM 1970 H1 TIP3 258 2.110 -9.619 -15.511 0.00 0.00 WAT1 ATOM 1971 H2 TIP3 258 2.822 -9.235 -16.791 0.00 0.00 WAT1 ATOM 1972 OH2 TIP3 259 1.695 -10.237 -13.528 0.00 0.00 WAT1 ATOM 1973 H1 TIP3 259 1.208 -10.972 -13.899 0.00 0.00 WAT1 ATOM 1974 H2 TIP3 259 2.244 -10.630 -12.850 0.00 0.00 WAT1 ATOM 1975 OH2 TIP3 260 0.146 -14.447 -8.890 0.00 0.00 WAT1 ATOM 1976 H1 TIP3 260 -0.720 -14.552 -8.496 0.00 0.00 WAT1 ATOM 1977 H2 TIP3 260 0.522 -13.688 -8.443 0.00 0.00 WAT1 ATOM 1978 OH2 TIP3 261 0.087 -12.474 -14.297 0.00 0.00 WAT1 ATOM 1979 H1 TIP3 261 -0.561 -12.149 -13.672 0.00 0.00 WAT1 ATOM 1980 H2 TIP3 261 -0.431 -12.914 -14.972 0.00 0.00 WAT1 ATOM 1981 OH2 TIP3 262 -15.739 -22.267 -10.838 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 262 -14.820 -22.389 -10.602 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 262 -16.189 -23.017 -10.449 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 263 -4.135 -9.126 -11.873 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 263 -3.458 -9.758 -12.113 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 263 -3.813 -8.724 -11.065 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 264 -6.211 -9.066 -15.823 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 264 -6.668 -8.537 -16.477 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 264 -6.048 -8.463 -15.098 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 265 -3.884 -10.188 -14.878 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 265 -4.788 -10.023 -15.144 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 265 -3.455 -9.335 -14.944 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 266 -1.279 -8.618 -14.583 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 266 -1.461 -7.702 -14.794 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 266 -1.103 -9.028 -15.430 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 267 0.068 -11.183 -10.720 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 267 -0.714 -11.369 -11.240 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 267 -0.004 -10.254 -10.503 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 268 -4.382 -17.297 -1.834 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 268 -4.293 -16.353 -1.966 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 268 -5.021 -17.572 -2.492 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 269 -5.449 -18.042 1.585 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 269 -5.487 -18.688 2.290 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 269 -5.772 -18.508 0.814 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 270 -13.081 -18.427 3.178 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 270 -13.039 -19.053 3.902 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 270 -12.378 -17.804 3.360 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 271 -15.547 -20.317 -2.894 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 271 -15.995 -19.471 -2.912 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 271 -16.108 -20.897 -3.409 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 272 -10.764 -23.114 -0.409 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 272 -10.721 -22.254 -0.827 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 272 -11.222 -23.666 -1.042 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 273 -14.144 -20.717 0.353 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 273 -13.490 -21.267 0.785 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 273 -14.120 -20.991 -0.563 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 274 -9.385 -16.520 3.953 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 274 -10.125 -15.922 4.056 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 274 -8.671 -15.966 3.637 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 275 -12.360 -22.304 1.618 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 275 -11.747 -21.671 1.991 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 275 -11.848 -22.776 0.961 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 276 -0.134 -15.015 5.846 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 276 0.006 -15.606 5.107 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 276 0.034 -14.142 5.490 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 277 -5.661 -18.053 -4.382 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 277 -6.373 -17.518 -4.733 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 277 -4.970 -17.997 -5.042 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 278 -5.607 -19.595 -7.343 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 278 -4.906 -19.573 -6.692 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 278 -5.305 -20.223 -7.999 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 279 -2.255 -17.843 -3.430 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 279 -2.987 -17.615 -2.857 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 279 -1.808 -18.557 -2.975 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 280 -3.384 -18.681 -5.745 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 280 -2.805 -18.531 -4.998 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 280 -2.970 -18.210 -6.468 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 281 -12.443 -17.847 6.032 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 281 -12.373 -17.196 6.730 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 281 -13.334 -17.744 5.697 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 282 1.504 -12.565 -7.555 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 282 1.577 -11.626 -7.385 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 282 2.409 -12.870 -7.612 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 283 2.421 -12.334 7.423 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 283 2.372 -13.289 7.386 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 283 1.595 -12.066 7.825 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 284 -6.600 -12.760 6.299 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 284 -6.513 -11.934 6.774 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 284 -7.464 -13.090 6.548 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 285 -1.907 -17.648 -8.115 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 285 -1.865 -17.871 -9.045 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 285 -1.058 -17.250 -7.925 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 286 -10.568 -21.021 2.991 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 286 -11.210 -21.062 3.700 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 286 -10.531 -20.095 2.753 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 287 -10.571 -20.800 -2.097 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 287 -11.464 -21.141 -2.156 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 287 -10.120 -21.177 -2.853 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 288 -5.035 -20.384 -3.280 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 288 -5.444 -19.569 -3.572 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 288 -4.315 -20.524 -3.895 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 289 -4.031 -20.938 -0.466 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 289 -4.226 -20.333 -1.181 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 289 -3.849 -21.772 -0.901 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 290 -12.818 -20.701 4.858 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 290 -12.856 -20.301 5.726 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 290 -13.309 -21.518 4.948 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 291 -14.935 -22.839 -5.868 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 291 -14.461 -22.248 -6.453 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 291 -15.653 -22.308 -5.521 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 292 -4.767 -19.300 4.205 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 292 -4.443 -19.931 3.562 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 292 -5.207 -19.835 4.866 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 293 -7.989 -23.373 -1.011 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 293 -8.900 -23.316 -0.722 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 293 -7.484 -23.433 -0.200 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 294 -13.161 -21.744 -2.184 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 294 -14.050 -21.644 -2.524 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 294 -12.865 -22.586 -2.530 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 295 -9.508 -21.744 -4.528 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 295 -8.576 -21.615 -4.350 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 295 -9.723 -21.074 -5.177 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 296 -10.834 -20.549 -6.961 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 296 -11.376 -20.929 -7.652 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 296 -10.000 -20.355 -7.390 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 297 -0.297 -8.466 8.530 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 297 -0.097 -8.042 7.695 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 297 0.359 -8.123 9.137 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 298 -12.699 -15.992 8.138 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 298 -11.966 -15.738 8.699 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 298 -13.479 -15.788 8.653 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 299 -6.669 -20.585 0.876 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 299 -6.105 -21.132 0.329 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 299 -6.817 -21.107 1.665 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 300 -8.043 -22.197 3.290 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 300 -8.878 -21.743 3.400 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 300 -7.519 -21.921 4.042 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 301 -7.499 -15.984 -5.025 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 301 -8.243 -16.491 -5.348 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 301 -7.633 -15.935 -4.079 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 302 -0.349 -16.851 3.761 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 302 0.293 -16.394 3.218 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 302 -1.179 -16.738 3.299 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 303 -5.979 -15.800 6.212 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 303 -6.325 -16.181 7.018 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 303 -6.179 -14.866 6.283 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 304 -3.729 -13.338 6.162 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 304 -4.630 -13.155 5.894 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 304 -3.695 -13.079 7.083 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 305 0.298 -12.307 -5.006 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 305 -0.075 -13.133 -4.696 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 305 0.575 -12.490 -5.903 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 306 -2.542 -17.499 2.016 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 306 -3.470 -17.731 1.989 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 306 -2.091 -18.276 1.686 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 307 -14.244 -18.309 -7.264 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 307 -13.628 -17.682 -6.885 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 307 -15.106 -17.993 -6.993 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 308 -4.513 -15.260 3.741 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 308 -4.939 -15.487 4.567 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 308 -3.932 -15.998 3.558 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 309 2.194 -9.851 -6.984 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 309 2.937 -9.265 -7.124 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 309 1.499 -9.283 -6.651 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 310 -1.444 -15.658 -4.959 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 310 -1.721 -16.386 -4.403 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 310 -0.517 -15.539 -4.753 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 311 -12.829 -16.396 -5.772 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 311 -13.515 -16.044 -5.205 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 311 -12.306 -15.633 -6.018 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 312 -7.013 -22.354 -3.561 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 312 -6.201 -21.850 -3.515 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 312 -7.258 -22.499 -2.647 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 313 -1.671 -19.710 0.555 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 313 -2.468 -20.125 0.226 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 313 -1.226 -20.401 1.046 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 314 -13.897 -21.118 -7.759 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 314 -13.942 -20.179 -7.580 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 314 -14.785 -21.354 -8.029 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 315 -10.273 -10.864 10.025 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 315 -9.505 -11.323 10.366 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 315 -10.294 -11.090 9.095 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 316 -3.696 -12.484 8.754 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 316 -4.047 -13.340 8.997 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 316 -2.970 -12.341 9.361 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 317 -14.963 -15.973 9.359 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 317 -14.819 -16.875 9.073 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 317 -15.736 -15.687 8.871 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 318 -10.622 -15.629 -8.509 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 318 -10.558 -16.423 -7.978 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 318 -9.969 -15.748 -9.198 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 319 -8.308 -16.003 8.792 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 319 -8.636 -15.732 7.934 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 319 -8.156 -16.944 8.704 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 320 -2.573 -16.087 6.175 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 320 -1.828 -15.499 6.055 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 320 -3.330 -15.505 6.238 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 321 -14.131 -18.773 8.779 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 321 -13.723 -19.630 8.658 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 321 -14.391 -18.758 9.700 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 322 -9.473 -17.657 -6.203 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 322 -9.932 -18.141 -5.517 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 322 -9.218 -18.325 -6.839 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 323 -10.184 -19.764 6.153 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 323 -10.802 -19.089 6.434 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 323 -9.840 -19.443 5.320 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 324 -8.402 -19.414 -7.940 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 324 -8.582 -19.568 -8.868 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 324 -7.451 -19.306 -7.896 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 325 0.988 -17.059 -8.495 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 325 0.715 -17.484 -9.308 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 325 1.028 -16.128 -8.712 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 326 -7.850 -18.600 4.968 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 326 -7.099 -18.756 4.395 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 326 -8.189 -17.748 4.692 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 327 2.132 -9.804 2.406 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 327 2.110 -9.619 3.345 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 327 2.822 -9.235 2.065 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 328 1.695 -10.237 5.328 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 328 1.208 -10.972 4.957 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 328 2.244 -10.630 6.006 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 329 0.146 -14.447 9.966 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 329 -0.720 -14.552 10.360 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 329 0.522 -13.688 10.413 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 330 1.447 -16.190 -4.520 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 330 2.297 -15.769 -4.392 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 330 1.452 -16.930 -3.912 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 331 1.600 -15.352 2.252 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 331 2.434 -15.730 1.971 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 331 1.712 -14.409 2.133 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 332 0.087 -12.474 4.559 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 332 -0.561 -12.149 5.184 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 332 -0.431 -12.914 3.884 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 333 -0.372 -19.616 -2.133 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 333 -0.522 -20.561 -2.153 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 333 -0.726 -19.335 -1.289 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 334 -16.214 -20.956 1.978 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 334 -15.722 -21.177 1.188 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 334 -15.852 -20.115 2.259 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 335 -13.745 -12.785 8.521 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 335 -14.566 -12.610 8.061 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 335 -13.997 -12.858 9.442 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 336 0.068 -11.183 8.136 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 336 -0.714 -11.369 7.616 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 336 -0.004 -10.254 8.353 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 337 -3.084 -9.834 11.964 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 337 -2.709 -10.578 11.493 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 337 -3.080 -10.104 12.882 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 338 -14.244 -18.309 11.592 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 338 -13.628 -17.682 11.971 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 338 -15.106 -17.993 11.863 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 339 -8.219 -13.219 10.118 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 339 -7.980 -13.967 9.570 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 339 -8.488 -13.607 10.950 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 340 -9.206 -10.908 13.305 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 340 -9.045 -10.108 12.804 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 340 -9.403 -10.601 14.190 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 341 -12.213 -13.782 11.981 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 341 -11.621 -13.083 12.257 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 341 -11.754 -14.215 11.262 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 342 -6.181 -11.356 10.256 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 342 -6.825 -11.987 10.578 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 342 -5.419 -11.887 10.024 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 343 -1.577 -11.539 10.490 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 343 -1.294 -12.333 10.943 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 343 -0.837 -11.306 9.929 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 344 -10.622 -15.629 10.347 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 344 -10.558 -16.423 10.878 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 344 -9.969 -15.748 9.658 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 345 -5.270 -14.582 10.083 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 345 -5.538 -14.402 10.984 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 345 -5.476 -15.508 9.952 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 346 -8.504 -8.723 11.917 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 346 -7.571 -8.565 12.061 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 346 -8.768 -8.048 11.292 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 347 -14.936 -14.087 11.400 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 347 -14.022 -14.008 11.673 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 347 -14.929 -14.774 10.733 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 348 -14.723 -10.707 13.765 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 348 -15.408 -10.745 13.097 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 348 -14.720 -9.794 14.053 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 349 -5.859 -9.497 12.162 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 349 -4.993 -9.131 11.984 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 349 -6.106 -9.937 11.349 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 350 -12.905 -9.787 10.790 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 350 -13.173 -9.500 11.663 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 350 -12.134 -10.333 10.942 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 351 -4.382 1.559 -20.690 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 351 -4.293 2.503 -20.822 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 351 -5.021 1.284 -21.348 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 352 -1.743 3.753 -18.969 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 352 -2.184 3.033 -18.519 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 352 -1.756 4.474 -18.339 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 353 -15.547 -1.461 -21.750 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 353 -15.995 -0.615 -21.768 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 353 -16.108 -2.041 -22.265 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 354 -14.837 0.701 -19.624 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 354 -14.623 -0.069 -19.097 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 354 -14.099 0.790 -20.227 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 355 -4.632 8.858 -18.757 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 355 -4.012 8.181 -19.030 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 355 -4.840 8.640 -17.849 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 356 1.603 -5.152 -16.004 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 356 1.652 -4.542 -15.268 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 356 2.029 -4.691 -16.727 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 357 -10.764 -4.258 -19.265 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 357 -10.721 -3.398 -19.683 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 357 -11.222 -4.810 -19.898 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 358 -3.042 -4.127 -20.864 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 358 -2.396 -4.456 -20.239 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 358 -2.532 -3.609 -21.487 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 359 -14.144 -1.861 -18.503 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 359 -13.490 -2.411 -18.071 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 359 -14.120 -2.135 -19.419 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 360 -8.988 -0.311 -19.287 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 360 -8.372 -0.837 -18.778 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 360 -9.574 -0.951 -19.691 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 361 1.995 -3.674 -13.768 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 361 1.306 -3.016 -13.863 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 361 2.010 -3.871 -12.831 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 362 -1.278 -4.836 -18.883 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 362 -1.493 -5.602 -18.351 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 362 -0.622 -4.364 -18.370 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 363 -12.360 -3.448 -17.238 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 363 -11.747 -2.815 -16.865 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 363 -11.848 -3.920 -17.895 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 364 -1.231 5.593 -16.621 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 364 -2.173 5.651 -16.460 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 364 -0.955 6.499 -16.758 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 365 -0.931 -6.121 -15.204 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 365 -1.667 -5.510 -15.242 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 365 -0.247 -5.706 -15.730 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 366 -7.928 -8.034 -17.738 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 366 -8.045 -8.983 -17.792 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 366 -8.783 -7.702 -17.465 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 367 -0.134 3.841 -13.010 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 367 0.006 3.250 -13.749 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 367 0.034 4.714 -13.366 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 368 1.708 0.181 -14.944 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 368 1.056 0.876 -14.855 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 368 2.173 0.391 -15.754 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 369 -10.610 1.643 -20.403 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 369 -10.940 1.273 -21.222 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 369 -10.022 0.973 -20.057 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 370 -3.934 5.915 -16.036 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 370 -4.175 6.577 -15.388 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 370 -4.132 5.081 -15.611 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 371 -5.658 6.912 -21.166 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 371 -5.184 7.207 -20.388 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 371 -6.221 7.650 -21.399 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 372 -11.620 0.713 -22.814 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 372 -11.912 1.481 -23.305 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 372 -12.294 0.053 -22.977 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 373 -15.776 5.856 -17.115 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 373 -14.830 5.712 -17.134 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 373 -15.889 6.640 -16.578 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 374 2.421 6.522 -11.433 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 374 2.372 5.567 -11.470 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 374 1.595 6.790 -11.031 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 375 -5.996 -7.409 -13.586 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 375 -5.576 -7.824 -12.833 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 375 -6.929 -7.587 -13.469 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 376 -10.571 -1.944 -20.953 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 376 -11.464 -2.285 -21.012 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 376 -10.120 -2.321 -21.709 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 377 -5.035 -1.528 -22.136 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 377 -5.444 -0.713 -22.428 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 377 -4.315 -1.668 -22.751 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 378 -4.031 -2.082 -19.322 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 378 -4.226 -1.477 -20.037 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 378 -3.849 -2.916 -19.757 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 379 -16.210 -4.729 -20.148 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 379 -15.579 -4.758 -19.428 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 379 -15.760 -5.154 -20.878 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 380 -7.989 -4.517 -19.867 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 380 -8.900 -4.460 -19.578 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 380 -7.484 -4.577 -19.056 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 381 -13.161 -2.888 -21.040 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 381 -14.050 -2.788 -21.380 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 381 -12.865 -3.730 -21.386 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 382 -3.584 -5.282 -16.603 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 382 -4.261 -5.151 -15.939 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 382 -4.070 -5.437 -17.413 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 383 -11.667 -5.593 -21.562 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 383 -11.984 -6.495 -21.597 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 383 -10.886 -5.591 -22.114 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 384 -0.349 2.005 -15.095 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 384 0.293 2.462 -15.638 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 384 -1.179 2.118 -15.557 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 385 -3.729 5.518 -12.694 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 385 -4.630 5.701 -12.962 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 385 -3.695 5.777 -11.773 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 386 1.966 3.563 -11.490 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 386 1.114 3.801 -11.857 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 386 2.556 3.546 -12.243 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 387 -2.542 1.357 -16.840 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 387 -3.470 1.125 -16.867 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 387 -2.091 0.580 -17.170 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 388 -9.999 5.685 -20.707 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 388 -9.472 6.458 -20.908 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 388 -10.879 5.910 -21.009 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 389 -8.572 3.348 -21.131 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 389 -8.813 4.273 -21.089 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 389 -9.312 2.889 -20.735 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 390 -1.854 8.148 -12.646 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 390 -2.456 7.593 -13.141 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 390 -1.573 8.815 -13.272 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 391 -7.013 -3.498 -22.417 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 391 -6.201 -2.994 -22.371 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 391 -7.258 -3.643 -21.503 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 392 -1.671 -0.854 -18.301 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 392 -2.468 -1.269 -18.630 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 392 -1.226 -1.545 -17.810 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 393 -14.159 6.460 -21.781 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 393 -14.991 6.933 -21.754 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 393 -13.613 6.970 -22.380 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 394 -14.870 9.073 -10.451 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 394 -14.330 8.856 -9.692 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 394 -15.351 8.267 -10.641 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 395 -10.273 7.992 -8.831 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 395 -9.505 7.533 -8.490 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 395 -10.294 7.766 -9.761 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 396 -3.696 6.372 -10.102 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 396 -4.047 5.516 -9.859 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 396 -2.970 6.515 -9.495 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 397 1.600 3.504 -16.604 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 397 2.434 3.126 -16.885 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 397 1.712 4.447 -16.723 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 398 0.087 6.382 -14.297 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 398 -0.561 6.707 -13.672 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 398 -0.431 5.942 -14.972 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 399 -0.050 -2.596 -17.091 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 399 0.883 -2.384 -17.125 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 399 -0.285 -2.494 -16.168 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 400 -16.214 -2.100 -16.878 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 400 -15.722 -2.321 -17.668 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 400 -15.852 -1.259 -16.597 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 401 -15.901 -5.842 -22.823 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 401 -16.826 -5.633 -22.953 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 401 -15.447 -5.358 -23.513 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 402 -4.135 9.730 -11.873 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 402 -3.458 9.098 -12.113 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 402 -3.813 10.132 -11.065 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 403 -13.389 10.302 -14.029 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 403 -14.109 10.742 -14.480 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 403 -13.755 10.051 -13.180 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 404 -6.211 9.790 -15.823 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 404 -6.668 10.319 -16.477 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 404 -6.048 10.393 -15.098 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 405 -3.884 8.668 -14.878 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 405 -4.788 8.833 -15.144 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 405 -3.455 9.521 -14.944 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 406 -1.279 10.238 -14.583 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 406 -1.461 11.154 -14.794 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 406 -1.103 9.828 -15.430 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 407 -13.974 8.925 -17.118 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 407 -13.993 8.500 -16.261 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 407 -13.169 8.607 -17.527 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 408 -11.833 7.635 -18.463 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 408 -12.052 6.719 -18.294 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 408 -11.009 7.775 -17.997 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 409 -9.296 8.105 -17.615 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 409 -9.083 7.217 -17.902 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 409 -9.231 8.071 -16.660 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 410 -5.787 -6.231 -18.470 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 410 -6.462 -6.860 -18.215 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 410 -5.223 -6.715 -19.073 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 411 -13.461 -7.597 -20.648 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 411 -14.238 -7.831 -21.156 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 411 -12.930 -8.394 -20.640 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 412 -8.881 -7.670 -20.835 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 412 -8.007 -7.282 -20.865 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 412 -9.017 -7.885 -19.912 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 413 -3.324 -7.640 -19.186 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 413 -3.248 -7.545 -20.135 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 413 -3.600 -8.548 -19.057 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 414 0.068 7.673 -10.720 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 414 -0.714 7.487 -11.240 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 414 -0.004 8.602 -10.503 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 415 1.603 -5.152 2.852 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 415 1.652 -4.542 3.588 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 415 2.029 -4.691 2.129 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 416 1.995 -3.674 5.088 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 416 1.306 -3.016 4.993 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 416 2.010 -3.871 6.025 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 417 1.708 0.181 3.912 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 417 1.056 0.876 4.001 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 417 2.173 0.391 3.102 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 418 1.504 6.291 -7.555 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 418 1.577 7.230 -7.385 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 418 2.409 5.986 -7.612 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 419 -6.186 9.868 -3.895 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 419 -6.261 9.747 -4.841 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 419 -6.153 10.818 -3.776 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 420 -3.084 9.022 -6.892 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 420 -2.709 8.278 -7.363 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 420 -3.080 8.752 -5.974 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 421 0.298 6.549 -5.006 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 421 -0.075 5.723 -4.696 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 421 0.575 6.366 -5.903 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 422 -2.310 4.525 -7.185 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 422 -1.957 4.145 -6.381 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 422 -3.259 4.432 -7.099 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 423 2.194 9.005 -6.984 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 423 2.937 9.591 -7.124 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 423 1.499 9.573 -6.651 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 424 -1.444 3.198 -4.959 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 424 -1.721 2.470 -4.403 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 424 -0.517 3.317 -4.753 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 425 -6.181 7.500 -8.600 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 425 -6.825 6.869 -8.278 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 425 -5.419 6.969 -8.832 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 426 -1.577 7.317 -8.366 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 426 -1.294 6.523 -7.913 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 426 -0.837 7.550 -8.927 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 427 -5.164 1.563 9.431 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 427 -4.211 1.647 9.403 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 427 -5.324 0.852 10.050 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 428 -3.434 -1.929 9.996 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 428 -3.242 -2.860 9.885 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 428 -2.577 -1.504 9.986 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 429 -2.118 0.860 8.074 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 429 -2.399 1.569 7.496 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 429 -1.175 0.787 7.923 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 430 -8.404 -8.433 7.831 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 430 -7.692 -9.073 7.817 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 430 -8.505 -8.166 6.917 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 431 -8.504 10.133 -6.939 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 431 -7.571 10.291 -6.795 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 431 -8.768 10.808 -7.564 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 432 -16.287 10.162 -2.379 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 432 -16.934 9.700 -2.912 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 432 -15.932 9.490 -1.796 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 433 -15.417 8.243 -0.574 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 433 -15.751 7.362 -0.402 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 433 -15.195 8.588 0.290 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 434 2.132 9.052 2.406 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 434 2.110 9.237 3.345 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 434 2.822 9.621 2.065 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 435 1.841 0.719 -2.696 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 435 1.115 0.240 -2.298 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 435 2.422 0.925 -1.964 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 436 0.484 1.210 7.506 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 436 1.067 0.476 7.697 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 436 1.048 1.982 7.552 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 437 1.981 -0.887 8.190 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 437 1.118 -1.266 8.025 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 437 2.585 -1.626 8.116 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 438 2.262 -7.879 9.895 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 438 2.612 -8.533 9.289 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 438 2.409 -7.042 9.455 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 439 1.782 -5.770 8.244 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 439 0.865 -5.499 8.208 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 439 1.905 -6.305 7.460 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 440 0.783 -7.680 6.063 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 440 -0.030 -7.355 5.675 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 440 1.016 -8.440 5.530 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 441 -13.389 10.302 4.827 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 441 -14.109 10.742 4.376 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 441 -13.755 10.051 5.676 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 442 -1.279 10.238 4.273 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 442 -1.461 11.154 4.062 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 442 -1.103 9.828 3.426 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 443 -13.974 8.925 1.738 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 443 -13.993 8.500 2.595 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 443 -13.169 8.607 1.329 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 444 -5.859 9.359 -6.694 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 444 -4.993 9.725 -6.872 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 444 -6.106 8.919 -7.507 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 445 0.850 8.922 -4.014 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 445 0.656 8.174 -4.579 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 445 0.811 9.680 -4.598 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 446 -3.108 -8.400 9.443 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 446 -3.032 -8.826 10.297 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 446 -2.215 -8.386 9.101 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 447 -5.449 0.814 20.441 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 447 -5.487 0.168 21.146 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 447 -5.772 0.348 19.670 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 448 -1.743 3.753 18.743 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 448 -2.184 3.033 19.193 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 448 -1.756 4.474 19.373 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 449 -15.547 -1.461 15.962 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 449 -15.995 -0.615 15.944 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 449 -16.108 -2.041 15.447 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 450 -4.632 8.858 18.955 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 450 -4.012 8.181 18.682 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 450 -4.840 8.640 19.863 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 451 -3.042 -4.127 16.848 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 451 -2.396 -4.456 17.473 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 451 -2.532 -3.609 16.225 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 452 -14.856 3.971 14.378 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 452 -15.128 4.200 13.489 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 452 -14.811 4.809 14.838 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 453 -1.231 5.593 21.091 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 453 -2.173 5.651 21.252 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 453 -0.955 6.499 20.954 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 454 -2.979 7.374 17.716 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 454 -2.554 6.667 17.231 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 454 -2.662 8.175 17.299 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 455 -5.607 -0.739 11.513 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 455 -4.906 -0.717 12.164 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 455 -5.305 -1.367 10.857 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 456 -10.610 1.643 17.309 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 456 -10.940 1.273 16.490 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 456 -10.022 0.973 17.655 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 457 -5.658 6.912 16.546 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 457 -5.184 7.207 17.324 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 457 -6.221 7.650 16.313 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 458 -11.620 0.713 14.898 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 458 -11.912 1.481 14.407 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 458 -12.294 0.053 14.735 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 459 -6.186 9.868 14.961 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 459 -6.261 9.747 14.015 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 459 -6.153 10.818 15.080 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 460 -12.532 8.657 16.742 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 460 -12.380 8.309 17.621 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 460 -13.383 8.301 16.487 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 461 -6.334 -4.916 11.411 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 461 -6.588 -4.897 12.334 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 461 -6.591 -5.788 11.110 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 462 -10.571 -1.944 16.759 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 462 -11.464 -2.285 16.700 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 462 -10.120 -2.321 16.003 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 463 -5.035 -1.528 15.576 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 463 -5.444 -0.713 15.284 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 463 -4.315 -1.668 14.961 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 464 -4.031 -2.082 18.390 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 464 -4.226 -1.477 17.675 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 464 -3.849 -2.916 17.955 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 465 -14.935 -3.983 12.988 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 465 -14.461 -3.392 12.403 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 465 -15.653 -3.452 13.335 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 466 -7.989 -4.517 17.845 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 466 -8.900 -4.460 18.134 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 466 -7.484 -4.577 18.656 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 467 -13.161 -2.888 16.672 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 467 -14.050 -2.788 16.332 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 467 -12.865 -3.730 16.326 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 468 -11.667 -5.593 16.150 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 468 -11.984 -6.495 16.115 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 468 -10.886 -5.591 15.598 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 469 -3.601 -4.314 12.030 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 469 -4.539 -4.202 11.879 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 469 -3.304 -3.457 12.336 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 470 -2.883 -2.447 13.691 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 470 -1.991 -2.584 14.010 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 470 -2.826 -1.656 13.154 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 471 2.002 -2.237 13.385 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 471 1.448 -2.633 12.713 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 471 2.103 -1.327 13.108 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 472 -2.542 1.357 20.872 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 472 -3.470 1.125 20.845 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 472 -2.091 0.580 20.542 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 473 -9.999 5.685 17.005 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 473 -9.472 6.458 16.804 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 473 -10.879 5.910 16.703 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 474 -14.244 0.547 11.592 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 474 -13.628 1.174 11.971 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 474 -15.106 0.863 11.863 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 475 -8.572 3.348 16.581 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 475 -8.813 4.273 16.623 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 475 -9.312 2.889 16.977 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 476 -12.829 2.460 13.084 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 476 -13.515 2.812 13.651 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 476 -12.306 3.223 12.838 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 477 -4.213 -5.226 14.460 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 477 -3.993 -4.754 13.657 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 477 -3.655 -4.831 15.131 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 478 -7.013 -3.498 15.295 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 478 -6.201 -2.994 15.341 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 478 -7.258 -3.643 16.209 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 479 -6.129 -6.417 16.233 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 479 -6.476 -5.799 16.878 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 479 -5.471 -5.916 15.752 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 480 -1.671 -0.854 19.411 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 480 -2.468 -1.269 19.082 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 480 -1.226 -1.545 19.902 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 481 -0.584 8.402 21.033 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 481 -0.740 9.080 20.376 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 481 0.348 8.474 21.236 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 482 -14.159 6.460 15.931 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 482 -14.991 6.933 15.958 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 482 -13.613 6.970 15.332 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 483 -16.287 10.162 16.477 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 483 -16.934 9.700 15.944 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 483 -15.932 9.490 17.060 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 484 -15.417 8.243 18.282 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 484 -15.751 7.362 18.454 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 484 -15.195 8.588 19.146 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 485 2.132 9.052 21.262 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 485 2.110 9.237 22.201 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 485 2.822 9.621 20.921 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 486 1.841 0.719 16.160 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 486 1.115 0.240 16.558 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 486 2.422 0.925 16.892 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 487 1.600 3.504 21.108 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 487 2.434 3.126 20.827 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 487 1.712 4.447 20.989 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 488 0.458 -2.140 11.102 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 488 0.555 -1.473 10.422 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 488 0.318 -2.956 10.620 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 489 -0.372 -0.760 16.723 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 489 -0.522 -1.705 16.703 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 489 -0.726 -0.479 17.567 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 490 -0.294 -4.732 10.219 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 490 0.316 -5.104 10.856 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 490 -1.131 -5.154 10.415 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 491 -0.662 -3.177 15.185 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 491 -0.382 -4.084 15.310 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 491 0.097 -2.743 14.796 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 492 1.818 -5.847 11.762 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 492 2.231 -6.568 11.286 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 492 2.500 -5.177 11.820 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 493 -15.901 -5.842 14.889 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 493 -16.826 -5.633 14.759 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 493 -15.447 -5.358 14.199 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 494 -1.130 9.142 16.834 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 494 -0.477 8.795 16.226 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 494 -0.619 9.631 17.480 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 495 -11.833 7.635 19.249 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 495 -12.052 6.719 19.418 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 495 -11.009 7.775 19.715 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 496 -9.296 8.105 20.097 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 496 -9.083 7.217 19.810 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 496 -9.231 8.071 21.052 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 497 -14.624 -7.799 12.867 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 497 -14.185 -7.188 12.276 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 497 -15.258 -7.261 13.341 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 498 -7.737 -5.590 13.767 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 498 -7.559 -6.236 14.450 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 498 -7.791 -4.756 14.234 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 499 -11.954 13.516 -15.191 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 499 -12.173 14.046 -15.957 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 499 -12.622 13.743 -14.543 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 500 -7.928 10.822 -17.738 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 500 -8.045 9.873 -17.792 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 500 -8.783 11.154 -17.465 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 501 -10.659 11.725 -16.960 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 501 -11.520 11.638 -17.368 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 501 -10.681 12.581 -16.533 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 502 -5.996 11.447 -13.586 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 502 -5.576 11.032 -12.833 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 502 -6.929 11.269 -13.469 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 503 -13.732 14.237 -13.239 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 503 -14.625 14.576 -13.306 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 503 -13.831 13.382 -12.821 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 504 -4.997 13.978 -14.349 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 504 -4.299 14.052 -13.699 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 504 -5.378 13.114 -14.194 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 505 -13.089 11.376 -17.942 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 505 -13.318 11.435 -18.869 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 505 -13.532 10.584 -17.635 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 506 -9.844 15.303 -11.620 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 506 -9.694 14.574 -12.223 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 506 -9.842 16.080 -12.179 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 507 -9.432 13.673 -14.128 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 507 -8.896 14.124 -14.780 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 507 -10.284 13.565 -14.550 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 508 -8.051 12.106 -8.971 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 508 -8.182 11.630 -9.792 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 508 -8.650 12.850 -9.027 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 509 -15.937 11.752 -14.479 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 509 -16.602 11.506 -13.836 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 509 -16.380 12.374 -15.056 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 510 -5.787 12.625 -18.470 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 510 -6.462 11.996 -18.215 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 510 -5.223 12.141 -19.073 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 511 -13.503 11.773 -11.131 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 511 -13.869 11.008 -10.688 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 511 -12.590 11.802 -10.844 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 512 -11.530 11.124 -9.595 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 512 -10.631 10.850 -9.780 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 512 -11.916 10.381 -9.131 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 513 -3.108 10.456 -9.413 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 513 -3.032 10.030 -8.559 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 513 -2.215 10.470 -9.755 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 514 -5.449 19.670 1.585 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 514 -5.487 19.024 2.290 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 514 -5.772 19.204 0.814 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 515 -13.081 19.285 3.178 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 515 -13.039 18.659 3.902 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 515 -12.378 19.908 3.360 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 516 1.603 13.704 2.852 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 516 1.652 14.314 3.588 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 516 2.029 14.165 2.129 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 517 -3.919 16.497 2.319 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 517 -3.776 15.550 2.339 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 517 -4.025 16.704 1.390 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 518 -10.764 14.598 -0.409 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 518 -10.721 15.458 -0.827 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 518 -11.222 14.046 -1.042 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 519 -3.042 14.729 -2.008 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 519 -2.396 14.400 -1.383 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 519 -2.532 15.247 -2.631 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 520 -8.988 18.545 -0.431 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 520 -8.372 18.019 0.078 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 520 -9.574 17.905 -0.835 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 521 1.995 15.182 5.088 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 521 1.306 15.840 4.993 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 521 2.010 14.985 6.025 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 522 -9.385 21.192 3.953 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 522 -10.125 21.790 4.056 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 522 -8.671 21.746 3.637 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 523 -1.278 14.020 -0.027 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 523 -1.493 13.254 0.505 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 523 -0.622 14.492 0.486 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 524 -12.360 15.408 1.618 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 524 -11.747 16.041 1.991 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 524 -11.848 14.936 0.961 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 525 -10.977 23.156 4.740 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 525 -10.983 24.035 4.362 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 525 -11.831 23.073 5.165 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 526 -0.931 12.735 3.652 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 526 -1.667 13.346 3.614 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 526 -0.247 13.150 3.126 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 527 -2.358 18.043 5.638 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 527 -2.278 18.806 6.210 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 527 -2.959 18.322 4.947 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 528 -10.243 19.268 2.086 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 528 -9.678 19.389 1.323 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 528 -9.924 19.905 2.725 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 529 -9.363 23.667 6.803 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 529 -9.675 24.449 7.259 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 529 -10.013 23.514 6.117 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 530 -12.443 19.865 6.032 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 530 -12.373 20.516 6.730 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 530 -13.334 19.968 5.697 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 531 0.314 10.781 -5.932 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 531 -0.585 10.920 -5.637 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 531 0.566 11.612 -6.334 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 532 -0.427 16.871 7.903 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 532 -0.834 17.352 7.183 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 532 -0.386 15.966 7.596 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 533 -10.659 11.725 1.896 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 533 -11.520 11.638 1.488 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 533 -10.681 12.581 2.323 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 534 -2.670 15.203 6.124 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 534 -3.184 15.077 6.921 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 534 -2.825 16.115 5.879 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 535 -10.568 16.691 2.991 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 535 -11.210 16.650 3.700 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 535 -10.531 17.617 2.753 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 536 -12.818 17.011 4.858 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 536 -12.856 17.411 5.726 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 536 -13.309 16.194 4.948 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 537 -4.767 18.412 4.205 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 537 -4.443 17.781 3.562 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 537 -5.207 17.877 4.866 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 538 -7.989 14.339 -1.011 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 538 -8.900 14.396 -0.722 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 538 -7.484 14.279 -0.200 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 539 -3.584 13.574 2.253 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 539 -4.261 13.705 2.917 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 539 -4.070 13.419 1.443 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 540 -12.699 21.720 8.138 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 540 -11.966 21.974 8.699 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 540 -13.479 21.924 8.653 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 541 -6.669 17.127 0.876 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 541 -6.105 16.580 0.329 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 541 -6.817 16.605 1.665 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 542 -11.667 13.263 -2.706 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 542 -11.984 12.361 -2.741 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 542 -10.886 13.265 -3.258 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 543 -5.979 21.912 6.212 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 543 -6.325 21.531 7.018 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 543 -6.179 22.846 6.283 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 544 -15.366 19.484 6.059 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 544 -15.143 19.066 6.891 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 544 -15.968 18.871 5.637 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 545 -13.732 14.237 5.617 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 545 -14.625 14.576 5.550 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 545 -13.831 13.382 6.035 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 546 -4.213 13.630 -4.396 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 546 -3.993 14.102 -5.199 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 546 -3.655 14.025 -3.725 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 547 -6.129 12.439 -2.623 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 547 -6.476 13.057 -1.978 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 547 -5.471 12.940 -3.104 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 548 -10.472 13.502 -5.935 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 548 -10.555 14.391 -5.589 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 548 -9.582 13.237 -5.704 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 549 -0.273 14.251 6.459 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 549 -1.189 14.514 6.371 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 549 0.063 14.248 5.562 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 550 -13.089 11.376 0.914 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 550 -13.318 11.435 -0.013 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 550 -13.532 10.584 1.221 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 551 -8.308 21.709 8.792 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 551 -8.636 21.980 7.934 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 551 -8.156 20.768 8.704 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 552 -14.131 18.939 8.779 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 552 -13.723 18.082 8.658 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 552 -14.391 18.954 9.700 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 553 -5.164 20.419 9.431 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 553 -4.211 20.503 9.403 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 553 -5.324 19.708 10.050 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 554 -3.434 16.927 9.996 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 554 -3.242 15.996 9.885 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 554 -2.577 17.352 9.986 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 555 -2.118 19.716 8.074 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 555 -2.399 20.425 7.496 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 555 -1.175 19.643 7.923 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 556 -13.185 14.422 8.852 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 556 -12.974 13.715 8.241 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 556 -13.297 13.984 9.696 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 557 1.981 17.969 8.190 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 557 1.118 17.590 8.025 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 557 2.585 17.230 8.116 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 558 -0.021 16.997 4.541 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 558 -0.864 17.265 4.907 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 558 0.422 17.819 4.330 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 559 -15.739 15.445 8.018 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 559 -14.820 15.323 8.254 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 559 -16.189 14.695 8.407 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 560 -0.048 12.942 -3.622 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 560 0.134 12.493 -2.797 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 560 -0.648 12.357 -4.086 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 561 -14.518 13.757 0.909 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 561 -14.073 12.965 1.211 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 561 -14.052 14.473 1.340 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 562 1.782 13.086 8.244 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 562 0.865 13.357 8.208 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 562 1.905 12.551 7.460 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 563 -15.901 13.014 -3.967 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 563 -16.826 13.223 -4.097 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 563 -15.447 13.498 -4.657 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 564 -15.937 11.752 4.377 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 564 -16.602 11.506 5.020 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 564 -16.380 12.374 3.800 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 565 0.783 11.176 6.063 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 565 -0.030 11.501 5.675 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 565 1.016 10.416 5.530 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 566 -5.787 12.625 0.386 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 566 -6.462 11.996 0.641 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 566 -5.223 12.141 -0.217 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 567 1.082 11.871 -1.168 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 567 1.694 11.357 -1.695 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 567 1.465 12.749 -1.145 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 568 -13.461 11.259 -1.792 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 568 -14.238 11.025 -2.300 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 568 -12.930 10.462 -1.784 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 569 -14.624 11.057 -5.989 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 569 -14.185 11.668 -6.580 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 569 -15.258 11.595 -5.515 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 570 -8.881 11.186 -1.979 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 570 -8.007 11.574 -2.009 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 570 -9.017 10.971 -1.056 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 571 -1.971 11.242 -4.637 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 571 -2.674 11.856 -4.847 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 571 -2.416 10.404 -4.506 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 572 -12.763 12.973 -7.546 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 572 -12.272 12.343 -8.074 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 572 -12.140 13.269 -6.883 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 573 -7.737 13.266 -5.089 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 573 -7.559 12.620 -4.406 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 573 -7.791 14.100 -4.622 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 574 -13.503 11.773 7.725 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 574 -13.869 11.008 8.168 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 574 -12.590 11.802 8.012 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 575 1.603 13.704 21.708 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 575 1.652 14.314 22.444 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 575 2.029 14.165 20.985 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 576 -3.042 14.729 16.848 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 576 -2.396 14.400 17.473 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 576 -2.532 15.247 16.225 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 577 -1.278 14.020 18.829 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 577 -1.493 13.254 19.361 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 577 -0.622 14.492 19.342 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 578 -5.661 19.659 14.474 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 578 -6.373 20.194 14.123 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 578 -4.970 19.715 13.814 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 579 -5.607 18.117 11.513 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 579 -4.906 18.139 12.164 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 579 -5.305 17.489 10.857 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 580 -3.384 19.031 13.111 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 580 -2.805 19.181 13.858 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 580 -2.970 19.502 12.388 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 581 -1.907 20.064 10.741 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 581 -1.865 19.841 9.811 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 581 -1.058 20.462 10.931 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 582 -5.035 17.328 15.576 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 582 -5.444 18.143 15.284 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 582 -4.315 17.188 14.961 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 583 -14.935 14.873 12.988 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 583 -14.461 15.464 12.403 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 583 -15.653 15.404 13.335 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 584 -7.989 14.339 17.845 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 584 -8.900 14.396 18.134 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 584 -7.484 14.279 18.656 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 585 -9.508 15.968 14.328 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 585 -8.576 16.097 14.506 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 585 -9.723 16.638 13.679 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 586 -10.834 17.163 11.895 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 586 -11.376 16.783 11.204 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 586 -10.000 17.357 11.466 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 587 -11.667 13.263 16.150 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 587 -11.984 12.361 16.115 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 587 -10.886 13.265 15.598 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 588 -7.499 21.728 13.831 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 588 -8.243 21.221 13.508 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 588 -7.633 21.777 14.777 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 589 -2.883 16.409 13.691 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 589 -1.991 16.272 14.010 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 589 -2.826 17.200 13.154 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 590 2.002 16.619 13.385 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 590 1.448 16.223 12.713 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 590 2.103 17.529 13.108 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 591 -4.213 13.630 14.460 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 591 -3.993 14.102 13.657 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 591 -3.655 14.025 15.131 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 592 -7.013 15.358 15.295 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 592 -6.201 15.862 15.341 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 592 -7.258 15.213 16.209 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 593 -6.129 12.439 16.233 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 593 -6.476 13.057 16.878 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 593 -5.471 12.940 15.752 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 594 -10.472 13.502 12.921 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 594 -10.555 14.391 13.267 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 594 -9.582 13.237 13.152 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 595 -13.897 16.594 11.097 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 595 -13.942 17.533 11.276 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 595 -14.785 16.358 10.827 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 596 -10.622 22.083 10.347 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 596 -10.558 21.289 10.878 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 596 -9.969 21.964 9.658 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 597 -5.270 23.130 10.083 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 597 -5.538 23.310 10.984 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 597 -5.476 22.204 9.952 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 598 -9.473 20.055 12.653 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 598 -9.932 19.571 13.339 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 598 -9.218 19.387 12.017 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 599 0.458 16.716 11.102 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 599 0.555 17.383 10.422 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 599 0.318 15.900 10.620 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 600 -0.662 15.679 15.185 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 600 -0.382 14.772 15.310 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 600 0.097 16.113 14.796 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 601 -0.048 12.942 15.234 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 601 0.134 12.493 16.059 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 601 -0.648 12.357 14.770 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 602 1.818 13.009 11.762 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 602 2.231 12.288 11.286 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 602 2.500 13.679 11.820 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 603 -15.901 13.014 14.889 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 603 -16.826 13.223 14.759 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 603 -15.447 13.498 14.199 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 604 -0.645 10.732 19.354 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 604 -0.041 11.280 18.853 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 604 -1.514 11.052 19.114 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 605 -13.461 11.259 17.064 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 605 -14.238 11.025 16.556 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 605 -12.930 10.462 17.072 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 606 -8.881 11.186 16.877 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 606 -8.007 11.574 16.847 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 606 -9.017 10.971 17.800 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 607 -3.324 11.216 18.526 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 607 -3.248 11.311 17.577 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 607 -3.600 10.308 18.655 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 608 -12.763 12.973 11.310 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 608 -12.272 12.343 10.782 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 608 -12.140 13.269 11.973 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 609 -7.737 13.266 13.767 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 609 -7.559 12.620 14.450 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 609 -7.791 14.100 14.234 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 610 9.493 -14.045 -12.053 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 610 9.181 -13.263 -11.597 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 610 8.843 -14.198 -12.739 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 611 7.732 -11.973 -11.289 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 611 7.740 -12.109 -12.237 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 611 6.816 -12.091 -11.037 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 612 12.256 -12.760 -12.557 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 612 12.343 -11.934 -12.082 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 612 11.392 -13.090 -12.308 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 613 3.986 -9.783 -10.451 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 613 4.526 -10.000 -9.692 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 613 3.505 -10.589 -10.641 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 614 15.160 -12.484 -10.102 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 614 14.809 -13.340 -9.859 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 614 15.886 -12.341 -9.495 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 615 5.111 -12.785 -10.335 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 615 4.290 -12.610 -10.795 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 615 4.859 -12.858 -9.414 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 616 8.065 -11.810 -14.076 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 616 7.640 -11.001 -14.359 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 616 8.970 -11.725 -14.378 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 617 12.376 -10.411 -11.117 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 617 12.561 -10.745 -10.239 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 617 13.223 -10.102 -11.439 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 618 14.721 -9.126 -11.873 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 618 15.398 -9.758 -12.113 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 618 15.043 -8.724 -11.065 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 619 5.467 -8.554 -14.029 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 619 4.747 -8.114 -14.480 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 619 5.101 -8.805 -13.180 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 620 17.113 -15.103 -0.113 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 620 16.672 -15.823 0.337 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 620 17.100 -14.382 0.517 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 621 6.699 -13.977 1.713 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 621 6.329 -14.779 1.344 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 621 7.640 -14.146 1.760 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 622 14.224 -9.998 0.099 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 622 14.844 -10.675 -0.174 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 622 14.016 -10.216 1.007 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 623 11.796 -15.609 1.991 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 623 12.100 -16.295 1.397 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 623 12.518 -15.491 2.609 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 624 7.879 -14.556 4.740 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 624 7.873 -13.677 4.362 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 624 7.025 -14.639 5.165 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 625 17.625 -13.263 2.235 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 625 16.683 -13.205 2.396 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 625 17.901 -12.357 2.098 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 626 15.877 -11.482 -1.140 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 626 16.302 -12.189 -1.625 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 626 16.194 -10.681 -1.557 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 627 17.036 -13.581 -2.631 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 627 16.779 -14.271 -3.243 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 627 17.107 -14.024 -1.786 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 628 18.722 -15.015 5.846 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 628 18.862 -15.606 5.107 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 628 18.890 -14.142 5.490 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 629 9.613 -13.785 1.134 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 629 9.518 -14.363 0.377 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 629 10.342 -14.156 1.630 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 630 14.922 -12.941 2.820 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 630 14.681 -12.279 3.468 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 630 14.724 -13.775 3.245 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 631 13.198 -11.944 -2.310 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 631 13.672 -11.649 -1.532 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 631 12.635 -11.206 -2.543 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 632 7.732 -11.973 7.567 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 632 7.740 -12.109 6.619 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 632 6.816 -12.091 7.819 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 633 3.080 -13.000 1.741 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 633 4.026 -13.144 1.722 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 633 2.967 -12.216 2.278 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 634 21.277 -12.334 7.423 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 634 21.228 -13.289 7.386 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 634 20.451 -12.066 7.825 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 635 12.256 -12.760 6.299 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 635 12.343 -11.934 6.774 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 635 11.392 -13.090 6.548 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 636 12.670 -8.988 -3.895 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 636 12.595 -9.109 -4.841 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 636 12.703 -8.038 -3.776 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 637 15.772 -9.834 -6.892 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 637 16.147 -10.578 -7.363 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 637 15.776 -10.104 -5.974 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 638 15.441 -9.908 -4.143 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 638 14.506 -9.808 -3.964 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 638 15.721 -10.617 -3.565 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 639 18.559 -8.466 8.530 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 639 18.759 -8.042 7.695 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 639 19.215 -8.123 9.137 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 640 13.483 -14.525 -6.000 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 640 13.188 -13.699 -5.618 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 640 12.780 -15.145 -5.804 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 641 15.127 -13.338 6.162 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 641 14.226 -13.155 5.894 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 641 15.161 -13.079 7.083 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 642 19.154 -12.307 -5.006 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 642 18.781 -13.133 -4.696 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 642 19.431 -12.490 -5.903 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 643 8.857 -13.171 -1.851 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 643 9.384 -12.398 -2.052 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 643 7.977 -12.946 -2.153 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 644 10.284 -15.508 -2.275 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 644 10.043 -14.583 -2.233 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 644 9.544 -15.967 -1.879 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 645 10.799 -11.359 4.040 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 645 11.162 -10.504 3.807 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 645 11.331 -11.651 4.781 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 646 17.002 -10.708 6.210 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 646 16.400 -11.263 5.715 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 646 17.283 -10.041 5.584 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 647 4.775 -11.670 4.052 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 647 4.992 -12.602 4.021 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 647 5.022 -11.396 4.936 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 648 10.637 -13.219 -8.738 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 648 10.876 -13.967 -9.286 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 648 10.368 -13.607 -7.906 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 649 9.574 -13.649 -6.282 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 649 9.721 -14.169 -5.492 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 649 9.571 -12.742 -5.976 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 650 12.312 -11.951 -5.533 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 650 11.495 -11.454 -5.480 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 650 12.841 -11.476 -6.173 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 651 6.643 -13.782 -6.875 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 651 7.235 -13.083 -6.599 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 651 7.102 -14.215 -7.594 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 652 4.697 -12.396 -2.925 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 652 3.865 -11.923 -2.898 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 652 5.243 -11.886 -3.524 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 653 12.675 -11.356 -8.600 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 653 12.031 -11.987 -8.278 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 653 13.437 -11.887 -8.832 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 654 15.160 -12.484 8.754 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 654 14.809 -13.340 8.997 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 654 15.886 -12.341 9.361 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 655 8.234 -15.629 -8.509 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 655 8.298 -16.423 -7.978 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 655 8.887 -15.748 -9.198 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 656 13.586 -14.582 -8.773 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 656 13.318 -14.402 -7.872 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 656 13.380 -15.508 -8.904 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 657 3.920 -14.087 -7.456 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 657 4.834 -14.008 -7.183 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 657 3.927 -14.774 -8.123 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 658 3.439 -10.613 -0.574 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 658 3.105 -11.494 -0.402 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 658 3.661 -10.268 0.290 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 659 20.551 -10.237 5.328 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 659 20.064 -10.972 4.957 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 659 21.100 -10.630 6.006 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 660 20.456 -15.352 2.252 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 660 21.290 -15.730 1.971 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 660 20.568 -14.409 2.133 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 661 18.943 -12.474 4.559 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 661 18.295 -12.149 5.184 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 661 18.425 -12.914 3.884 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 662 8.065 -11.810 4.780 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 662 7.640 -11.001 4.497 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 662 8.970 -11.725 4.478 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 663 12.376 -10.411 7.739 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 663 12.561 -10.745 8.617 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 663 13.223 -10.102 7.417 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 664 14.721 -9.126 6.983 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 664 15.398 -9.758 6.743 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 664 15.043 -8.724 7.791 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 665 5.467 -8.554 4.827 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 665 4.747 -8.114 4.376 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 665 5.101 -8.805 5.676 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 666 4.882 -9.931 1.738 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 666 4.863 -10.356 2.595 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 666 5.687 -10.249 1.329 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 667 4.133 -10.707 -5.091 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 667 3.448 -10.745 -5.759 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 667 4.136 -9.794 -4.803 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 668 19.706 -9.934 -4.014 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 668 19.512 -10.682 -4.579 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 668 19.667 -9.176 -4.598 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 669 18.924 -11.183 8.136 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 669 18.142 -11.369 7.616 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 669 18.852 -10.254 8.353 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 670 20.360 -12.565 11.301 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 670 20.433 -11.626 11.471 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 670 21.265 -12.870 11.244 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 671 15.772 -9.834 11.964 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 671 16.147 -10.578 11.493 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 671 15.776 -10.104 12.882 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 672 21.050 -9.851 11.872 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 672 21.793 -9.265 11.732 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 672 20.355 -9.283 12.205 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 673 19.706 -9.934 14.842 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 673 19.512 -10.682 14.277 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 673 19.667 -9.176 14.258 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 674 5.775 0.429 -15.678 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 674 5.817 -0.197 -14.954 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 674 6.478 1.052 -15.496 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 675 6.413 1.009 -12.824 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 675 6.483 1.660 -12.126 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 675 5.522 1.112 -13.159 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 676 3.329 3.076 -13.999 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 676 2.828 3.048 -14.814 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 676 3.335 2.170 -13.689 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 677 18.429 -1.985 -10.953 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 677 18.022 -1.504 -11.673 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 677 18.470 -2.890 -11.260 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 678 5.578 4.399 -12.956 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 678 5.795 4.038 -12.096 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 678 4.723 4.025 -13.166 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 679 12.860 -7.409 -13.586 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 679 13.280 -7.824 -12.833 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 679 11.927 -7.587 -13.469 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 680 12.923 -1.353 -10.648 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 680 12.360 -2.057 -10.328 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 680 13.749 -1.473 -10.181 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 681 6.038 -1.845 -13.998 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 681 6.000 -1.445 -13.130 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 681 5.547 -2.662 -13.908 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 682 6.157 2.864 -10.718 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 682 6.890 3.118 -10.157 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 682 5.377 3.068 -10.203 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 683 3.490 0.628 -12.797 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 683 3.713 0.210 -11.965 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 683 2.888 0.015 -13.219 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 684 10.507 0.145 -10.584 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 684 10.211 -0.021 -11.479 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 684 11.438 -0.075 -10.594 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 685 5.124 -4.619 -13.239 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 685 4.231 -4.280 -13.306 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 685 5.025 -5.474 -12.821 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 686 8.672 -0.908 -12.703 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 686 8.054 -0.233 -12.422 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 686 9.016 -0.587 -13.536 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 687 13.692 1.563 -9.425 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 687 14.645 1.647 -9.453 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 687 13.532 0.852 -8.806 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 688 9.012 -3.553 -11.620 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 688 9.162 -4.282 -12.223 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 688 9.014 -2.776 -12.179 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 689 9.424 -5.183 -14.128 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 689 9.960 -4.732 -14.780 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 689 8.572 -5.291 -14.550 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 690 15.422 -1.929 -8.860 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 690 15.614 -2.860 -8.971 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 690 16.279 -1.504 -8.870 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 691 16.738 0.860 -10.782 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 691 16.457 1.569 -11.360 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 691 17.681 0.787 -10.933 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 692 10.230 -7.727 -13.696 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 692 10.132 -6.780 -13.802 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 692 9.487 -8.099 -14.172 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 693 11.494 -3.405 -10.133 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 693 11.258 -3.625 -9.231 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 693 10.711 -3.612 -10.642 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 694 14.210 -4.278 -11.057 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 694 13.262 -4.246 -10.925 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 694 14.522 -4.903 -10.403 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 695 15.844 -5.644 -9.052 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 695 15.747 -6.596 -9.058 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 695 15.522 -5.375 -8.191 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 696 10.452 -8.433 -11.025 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 696 11.164 -9.073 -11.039 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 696 10.351 -8.166 -11.939 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 697 2.642 -2.100 -16.878 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 697 3.134 -2.321 -17.668 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 697 3.004 -1.259 -16.597 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 698 2.919 -7.104 -14.479 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 698 2.254 -7.350 -13.836 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 698 2.476 -6.482 -15.056 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 699 5.111 6.071 -10.335 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 699 4.290 6.246 -10.795 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 699 4.859 5.998 -9.414 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 700 5.353 -7.083 -11.131 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 700 4.987 -7.848 -10.688 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 700 6.266 -7.054 -10.844 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 701 15.748 -8.400 -9.413 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 701 15.824 -8.826 -8.559 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 701 16.641 -8.386 -9.755 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 702 14.474 1.559 -1.834 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 702 14.563 2.503 -1.966 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 702 13.835 1.284 -2.492 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 703 13.407 0.814 1.585 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 703 13.369 0.168 2.290 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 703 13.084 0.348 0.814 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 704 5.775 0.429 3.178 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 704 5.817 -0.197 3.902 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 704 6.478 1.052 3.360 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 705 17.113 3.753 -0.113 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 705 16.672 3.033 0.337 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 705 17.100 4.474 0.517 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 706 6.699 4.879 1.713 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 706 6.329 4.077 1.344 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 706 7.640 4.710 1.760 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 707 4.019 0.701 -0.768 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 707 4.233 -0.069 -0.241 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 707 4.757 0.790 -1.371 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 708 11.796 3.247 1.991 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 708 12.100 2.561 1.397 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 708 12.518 3.365 2.609 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 709 4.712 -1.861 0.353 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 709 5.366 -2.411 0.785 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 709 4.736 -2.135 -0.563 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 710 14.271 4.160 -2.791 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 710 13.975 3.838 -3.642 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 710 13.947 5.060 -2.749 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 711 9.471 2.336 3.953 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 711 8.731 2.934 4.056 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 711 10.185 2.890 3.637 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 712 7.879 4.300 4.740 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 712 7.873 5.179 4.362 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 712 7.025 4.217 5.165 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 713 4.000 3.971 -4.478 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 713 3.728 4.200 -5.367 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 713 4.045 4.809 -4.018 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 714 17.625 5.593 2.235 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 714 16.683 5.651 2.396 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 714 17.901 6.499 2.098 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 715 17.036 5.275 -2.631 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 715 16.779 4.585 -3.243 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 715 17.107 4.832 -1.786 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 716 16.601 1.013 -3.430 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 716 15.869 1.241 -2.857 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 716 17.048 0.299 -2.975 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 717 8.246 1.643 -1.547 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 717 7.916 1.273 -2.366 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 717 8.834 0.973 -1.201 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 718 9.613 5.071 1.134 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 718 9.518 4.493 0.377 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 718 10.342 4.700 1.630 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 719 8.613 0.412 2.086 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 719 9.178 0.533 1.323 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 719 8.932 1.049 2.725 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 720 14.922 5.915 2.820 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 720 14.681 6.577 3.468 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 720 14.724 5.081 3.245 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 721 19.170 -8.075 -5.932 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 721 18.271 -7.936 -5.637 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 721 19.422 -7.244 -6.334 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 722 3.080 5.856 1.741 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 722 4.026 5.712 1.722 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 722 2.967 6.640 2.278 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 723 21.277 6.522 7.423 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 723 21.228 5.567 7.386 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 723 20.451 6.790 7.825 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 724 12.860 -7.409 5.270 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 724 13.280 -7.824 6.023 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 724 11.927 -7.587 5.387 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 725 16.949 1.208 -8.115 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 725 16.991 0.985 -9.045 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 725 17.798 1.606 -7.925 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 726 8.288 -2.165 2.991 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 726 7.646 -2.206 3.700 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 726 8.325 -1.239 2.753 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 727 12.923 -1.353 8.208 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 727 12.360 -2.057 8.528 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 727 13.749 -1.473 8.675 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 728 6.038 -1.845 4.858 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 728 6.000 -1.445 5.726 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 728 5.547 -2.662 4.948 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 729 18.559 10.390 8.530 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 729 18.759 10.814 7.695 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 729 19.215 10.733 9.137 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 730 11.357 2.872 -5.025 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 730 10.613 2.365 -5.348 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 730 11.223 2.921 -4.079 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 731 6.482 2.167 0.744 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 731 7.227 2.165 0.143 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 731 6.560 1.343 1.226 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 732 13.483 4.331 -6.000 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 732 13.188 5.157 -5.618 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 732 12.780 3.711 -5.804 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 733 20.858 -2.237 -5.471 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 733 20.304 -2.633 -6.143 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 733 20.959 -1.327 -5.748 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 734 10.284 3.348 -2.275 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 734 10.043 4.273 -2.233 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 734 9.544 2.889 -1.879 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 735 10.799 7.497 4.040 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 735 11.162 8.352 3.807 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 735 11.331 7.205 4.781 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 736 17.002 8.148 6.210 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 736 16.400 7.593 5.715 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 736 17.283 8.815 5.584 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 737 5.124 -4.619 5.617 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 737 4.231 -4.280 5.550 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 737 5.025 -5.474 6.035 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 738 17.412 3.198 -4.959 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 738 17.135 2.470 -4.403 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 738 18.339 3.317 -4.753 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 739 6.027 2.460 -5.772 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 739 5.341 2.812 -5.205 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 739 6.550 3.223 -6.018 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 740 6.643 5.074 -6.875 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 740 7.235 5.773 -6.599 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 740 7.102 4.641 -7.594 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 741 18.272 8.402 2.177 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 741 18.116 9.080 1.520 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 741 19.204 8.474 2.380 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 742 4.697 6.460 -2.925 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 742 3.865 6.933 -2.898 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 742 5.243 6.970 -3.524 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 743 8.234 3.227 -8.509 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 743 8.298 2.433 -7.978 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 743 8.887 3.108 -9.198 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 744 9.383 1.199 -6.203 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 744 8.924 0.715 -5.517 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 744 9.638 0.531 -6.839 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 745 10.454 -0.558 -7.940 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 745 10.274 -0.712 -8.868 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 745 11.405 -0.450 -7.896 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 746 9.012 -3.553 7.236 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 746 9.162 -4.282 6.633 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 746 9.014 -2.776 6.677 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 747 9.424 -5.183 4.728 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 747 9.960 -4.732 4.076 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 747 8.572 -5.291 4.306 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 748 11.006 0.256 4.968 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 748 11.757 0.100 4.395 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 748 10.667 1.108 4.692 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 749 15.422 -1.929 9.996 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 749 15.614 -2.860 9.885 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 749 16.279 -1.504 9.986 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 750 10.230 -7.727 5.160 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 750 10.132 -6.780 5.054 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 750 9.487 -8.099 4.684 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 751 11.494 -3.405 8.723 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 751 11.258 -3.625 9.625 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 751 10.711 -3.612 8.214 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 752 5.671 -4.434 8.852 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 752 5.882 -5.141 8.241 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 752 5.559 -4.872 9.696 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 753 10.452 -8.433 7.831 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 753 11.164 -9.073 7.817 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 753 10.351 -8.166 6.917 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 754 2.569 10.162 -2.379 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 754 1.922 9.700 -2.912 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 754 2.924 9.490 -1.796 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 755 3.439 8.243 -0.574 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 755 3.105 7.362 -0.402 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 755 3.661 8.588 0.290 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 756 20.551 8.619 5.328 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 756 20.064 7.884 4.957 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 756 21.100 8.226 6.006 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 757 20.697 0.719 -2.696 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 757 19.971 0.240 -2.298 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 757 21.278 0.925 -1.964 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 758 20.456 3.504 2.252 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 758 21.290 3.126 1.971 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 758 20.568 4.447 2.133 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 759 18.943 6.382 4.559 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 759 18.295 6.707 5.184 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 759 18.425 5.942 3.884 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 760 20.965 0.620 -6.305 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 760 20.444 0.977 -7.024 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 760 20.932 1.295 -5.627 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 761 19.314 -2.140 -7.754 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 761 19.411 -1.473 -8.434 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 761 19.174 -2.956 -8.236 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 762 18.484 -0.760 -2.133 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 762 18.334 -1.705 -2.153 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 762 18.130 -0.479 -1.289 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 763 3.519 1.318 1.877 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 763 3.703 1.236 0.942 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 763 4.368 1.194 2.301 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 764 18.562 -4.732 -8.637 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 764 19.172 -5.104 -8.000 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 764 17.725 -5.154 -8.441 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 765 3.117 -3.411 8.018 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 765 4.036 -3.533 8.254 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 765 2.667 -4.161 8.407 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 766 18.808 -5.914 -3.622 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 766 18.990 -6.363 -2.797 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 766 18.208 -6.499 -4.086 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 767 2.642 -2.100 1.978 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 767 3.134 -2.321 1.188 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 767 3.004 -1.259 2.259 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 768 20.674 -5.847 -7.094 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 768 21.087 -6.568 -7.570 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 768 21.356 -5.177 -7.036 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 769 2.919 -7.104 4.377 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 769 2.254 -7.350 5.020 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 769 2.476 -6.482 3.800 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 770 8.065 7.046 4.780 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 770 7.640 7.855 4.497 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 770 8.970 7.131 4.478 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 771 12.376 8.445 7.739 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 771 12.561 8.111 8.617 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 771 13.223 8.754 7.417 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 772 14.721 9.730 6.983 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 772 15.398 9.098 6.743 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 772 15.043 10.132 7.791 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 773 5.467 10.302 4.827 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 773 4.747 10.742 4.376 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 773 5.101 10.051 5.676 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 774 7.934 9.902 3.857 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 774 7.069 9.974 4.261 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 774 7.879 10.449 3.073 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 775 12.645 9.790 3.033 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 775 12.188 10.319 2.379 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 775 12.808 10.393 3.758 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 776 14.972 8.668 3.978 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 776 14.068 8.833 3.712 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 776 15.401 9.521 3.912 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 777 17.577 10.238 4.273 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 777 17.395 11.154 4.062 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 777 17.753 9.828 3.426 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 778 4.882 8.925 1.738 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 778 4.863 8.500 2.595 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 778 5.687 8.607 1.329 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 779 16.885 -7.614 -4.637 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 779 16.182 -7.000 -4.847 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 779 16.440 -8.452 -4.506 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 780 4.133 8.149 -5.091 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 780 3.448 8.111 -5.759 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 780 4.136 9.062 -4.803 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 781 5.353 -7.083 7.725 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 781 4.987 -7.848 8.168 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 781 6.266 -7.054 8.012 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 782 15.748 -8.400 9.443 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 782 15.824 -8.826 10.297 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 782 16.641 -8.386 9.101 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 783 18.924 7.673 8.136 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 783 18.142 7.487 7.616 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 783 18.852 8.602 8.353 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 784 14.474 1.559 17.022 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 784 14.563 2.503 16.890 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 784 13.835 1.284 16.364 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 785 13.407 0.814 20.441 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 785 13.369 0.168 21.146 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 785 13.084 0.348 19.670 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 786 17.113 3.753 18.743 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 786 16.672 3.033 19.193 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 786 17.100 4.474 19.373 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 787 6.699 4.879 20.569 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 787 6.329 4.077 20.200 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 787 7.640 4.710 20.616 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 788 3.309 -1.461 15.962 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 788 2.861 -0.615 15.944 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 788 2.748 -2.041 15.447 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 789 4.019 0.701 18.088 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 789 4.233 -0.069 18.615 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 789 4.757 0.790 17.485 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 790 14.224 8.858 18.955 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 790 14.844 8.181 18.682 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 790 14.016 8.640 19.863 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 791 11.796 3.247 20.847 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 791 12.100 2.561 20.253 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 791 12.518 3.365 21.465 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 792 9.868 -0.311 18.425 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 792 10.484 -0.837 18.934 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 792 9.282 -0.951 18.021 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 793 17.578 -4.836 18.829 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 793 17.363 -5.602 19.361 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 793 18.234 -4.364 19.342 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 794 17.625 5.593 21.091 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 794 16.683 5.651 21.252 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 794 17.901 6.499 20.954 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 795 15.877 7.374 17.716 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 795 16.302 6.667 17.231 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 795 16.194 8.175 17.299 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 796 13.195 0.803 14.474 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 796 12.483 1.338 14.123 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 796 13.886 0.859 13.814 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 797 16.601 1.013 15.426 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 797 15.869 1.241 15.999 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 797 17.048 0.299 15.881 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 798 8.246 1.643 17.309 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 798 7.916 1.273 16.490 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 798 8.834 0.973 17.655 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 799 9.613 5.071 19.990 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 799 9.518 4.493 19.233 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 799 10.342 4.700 20.486 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 800 8.613 0.412 20.942 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 800 9.178 0.533 20.179 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 800 8.932 1.049 21.581 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 801 14.922 5.915 21.676 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 801 14.681 6.577 22.324 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 801 14.724 5.081 22.101 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 802 15.472 0.175 13.111 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 802 16.051 0.325 13.858 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 802 15.886 0.646 12.388 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 803 19.170 -8.075 12.924 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 803 18.271 -7.936 13.219 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 803 19.422 -7.244 12.522 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 804 20.360 6.291 11.301 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 804 20.433 7.230 11.471 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 804 21.265 5.986 11.244 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 805 3.080 5.856 20.597 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 805 4.026 5.712 20.578 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 805 2.967 6.640 21.134 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 806 12.670 9.868 14.961 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 806 12.595 9.747 14.015 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 806 12.703 10.818 15.080 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 807 12.522 -4.916 11.411 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 807 12.268 -4.897 12.334 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 807 12.265 -5.788 11.110 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 808 8.285 -1.944 16.759 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 808 7.392 -2.285 16.700 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 808 8.736 -2.321 16.003 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 809 13.821 -1.528 15.576 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 809 13.412 -0.713 15.284 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 809 14.541 -1.668 14.961 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 810 14.825 -2.082 18.390 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 810 14.630 -1.477 17.675 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 810 15.007 -2.916 17.955 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 811 9.404 -4.471 10.512 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 811 8.973 -4.916 11.242 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 811 8.686 -4.099 10.000 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 812 3.921 -3.983 12.988 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 812 4.395 -3.392 12.403 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 812 3.203 -3.452 13.335 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 813 5.695 -2.888 16.672 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 813 4.806 -2.788 16.332 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 813 5.991 -3.730 16.326 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 814 9.348 -2.888 14.328 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 814 10.280 -2.759 14.506 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 814 9.133 -2.218 13.679 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 815 8.022 -1.693 11.895 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 815 7.480 -2.073 11.204 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 815 8.856 -1.499 11.466 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 816 15.255 -4.314 12.030 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 816 14.317 -4.202 11.879 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 816 15.552 -3.457 12.336 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 817 15.973 -2.447 13.691 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 817 16.865 -2.584 14.010 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 817 16.030 -1.656 13.154 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 818 6.482 2.167 19.600 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 818 7.227 2.165 18.999 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 818 6.560 1.343 20.082 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 819 19.154 6.549 13.850 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 819 18.781 5.723 14.160 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 819 19.431 6.366 12.953 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 820 16.314 1.357 20.872 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 820 15.386 1.125 20.845 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 820 16.765 0.580 20.542 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 821 21.050 9.005 11.872 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 821 21.793 9.591 11.732 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 821 20.355 9.573 12.205 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 822 4.775 7.186 22.908 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 822 4.992 6.254 22.877 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 822 5.022 7.460 23.792 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 823 8.384 -5.354 12.921 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 823 8.301 -4.465 13.267 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 823 9.274 -5.619 13.152 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 824 17.185 -0.854 19.411 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 824 16.388 -1.269 19.082 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 824 17.630 -1.545 19.902 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 825 19.844 1.797 10.361 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 825 19.571 1.372 9.548 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 825 19.884 2.728 10.144 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 826 10.352 10.133 11.917 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 826 11.285 10.291 12.061 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 826 10.088 10.808 11.292 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 827 20.303 2.666 14.336 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 827 21.153 3.087 14.464 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 827 20.308 1.926 14.944 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 828 20.697 0.719 16.160 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 828 19.971 0.240 16.558 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 828 21.278 0.925 16.892 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 829 18.484 -0.760 16.723 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 829 18.334 -1.705 16.703 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 829 18.130 -0.479 17.567 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 830 3.519 1.318 20.733 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 830 3.703 1.236 19.798 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 830 4.368 1.194 21.157 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 831 18.194 -3.177 15.185 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 831 18.474 -4.084 15.310 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 831 18.953 -2.743 14.796 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 832 18.808 -5.914 15.234 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 832 18.990 -6.363 16.059 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 832 18.208 -6.499 14.770 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 833 17.726 9.142 16.834 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 833 18.379 8.795 16.226 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 833 18.237 9.631 17.480 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 834 5.467 10.302 23.683 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 834 4.747 10.742 23.232 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 834 5.101 10.051 24.532 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 835 7.934 9.902 22.713 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 835 7.069 9.974 23.117 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 835 7.879 10.449 21.929 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 836 4.882 8.925 20.594 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 836 4.863 8.500 21.451 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 836 5.687 8.607 20.185 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 837 9.560 8.105 20.097 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 837 9.773 7.217 19.810 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 837 9.625 8.071 21.052 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 838 19.938 -6.985 17.688 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 838 20.550 -7.499 17.161 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 838 20.321 -6.107 17.711 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 839 16.885 -7.614 14.219 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 839 16.182 -7.000 14.009 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 839 16.440 -8.452 14.350 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 840 6.093 -5.883 11.310 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 840 6.584 -6.513 10.782 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 840 6.716 -5.587 11.973 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 841 19.706 8.922 14.842 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 841 19.512 8.174 14.277 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 841 19.667 9.680 14.258 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 842 2.646 14.127 -1.292 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 842 3.277 14.098 -0.572 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 842 3.096 13.702 -2.022 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 843 10.230 11.129 5.160 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 843 10.132 12.076 5.054 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 843 9.487 10.757 4.684 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 844 15.844 13.212 9.804 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 844 15.747 12.260 9.798 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 844 15.522 13.481 10.665 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 845 5.671 14.422 8.852 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 845 5.882 13.715 8.241 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 845 5.559 13.984 9.696 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 846 10.452 10.423 7.831 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 846 11.164 9.783 7.817 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 846 10.351 10.690 6.917 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 847 10.805 12.106 9.885 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 847 10.674 11.630 9.064 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 847 10.206 12.850 9.829 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 848 3.117 15.445 8.018 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 848 4.036 15.323 8.254 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 848 2.667 14.695 8.407 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 849 2.955 13.014 -3.967 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 849 2.030 13.223 -4.097 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 849 3.409 13.498 -4.657 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 850 2.919 11.752 4.377 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 850 2.254 11.506 5.020 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 850 2.476 12.374 3.800 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 851 5.353 11.773 7.725 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 851 4.987 11.008 8.168 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 851 6.266 11.802 8.012 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 852 7.326 11.124 9.261 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 852 8.225 10.850 9.076 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 852 6.940 10.381 9.725 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 853 15.748 10.456 9.443 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 853 15.824 10.030 10.297 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 853 16.641 10.470 9.101 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 854 3.309 17.395 15.962 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 854 2.861 18.241 15.944 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 854 2.748 16.815 15.447 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 855 8.092 14.598 18.447 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 855 8.135 15.458 18.029 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 855 7.634 14.046 17.814 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 856 4.712 16.995 19.209 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 856 5.366 16.445 19.641 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 856 4.736 16.721 18.293 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 857 6.496 15.408 20.474 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 857 7.109 16.041 20.847 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 857 7.008 14.936 19.817 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 858 10.928 10.822 19.974 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 858 10.811 9.873 19.920 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 858 10.073 11.154 20.247 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 859 19.170 10.781 12.924 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 859 18.271 10.920 13.219 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 859 19.422 11.612 12.522 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 860 8.197 11.725 20.752 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 860 7.336 11.638 20.344 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 860 8.175 12.581 21.179 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 861 12.522 13.940 11.411 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 861 12.268 13.959 12.334 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 861 12.265 13.068 11.110 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 862 2.646 14.127 17.564 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 862 3.277 14.098 18.284 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 862 3.096 13.702 16.834 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 863 3.921 14.873 12.988 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 863 4.395 15.464 12.403 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 863 3.203 15.404 13.335 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 864 5.695 15.968 16.672 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 864 4.806 16.068 16.332 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 864 5.991 15.126 16.326 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 865 7.189 13.263 16.150 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 865 6.872 12.361 16.115 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 865 7.970 13.265 15.598 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 866 14.643 13.630 14.460 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 866 14.863 14.102 13.657 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 866 15.201 14.025 15.131 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 867 12.727 12.439 16.233 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 867 12.380 13.057 16.878 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 867 13.385 12.940 15.752 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 868 8.384 13.502 12.921 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 868 8.301 14.391 13.267 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 868 9.274 13.237 13.152 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 869 5.767 11.376 19.770 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 869 5.538 11.435 18.843 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 869 5.324 10.584 20.077 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 870 4.338 13.757 19.765 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 870 4.783 12.965 20.067 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 870 4.804 14.473 20.196 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 871 2.919 11.752 23.233 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 871 2.254 11.506 23.876 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 871 2.476 12.374 22.656 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 872 9.975 11.186 16.877 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 872 10.849 11.574 16.847 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 872 9.839 10.971 17.800 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 873 15.532 11.216 18.526 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 873 15.608 11.311 17.577 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 873 15.256 10.308 18.655 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 874 16.885 11.242 14.219 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 874 16.182 11.856 14.009 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 874 16.440 10.404 14.350 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 875 6.093 12.973 11.310 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 875 6.584 12.343 10.782 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 875 6.716 13.269 11.973 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 876 11.119 13.266 13.767 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 876 11.297 12.620 14.450 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 876 11.065 14.100 14.234 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 877 26.588 -11.973 7.567 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 877 26.596 -12.109 6.619 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 877 25.672 -12.091 7.819 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 878 21.936 -13.000 1.741 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 878 22.882 -13.144 1.722 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 878 21.823 -12.216 2.278 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 879 23.631 -11.670 4.052 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 879 23.848 -12.602 4.021 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 879 23.878 -11.396 4.936 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 880 22.842 -9.783 8.405 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 880 23.382 -10.000 9.164 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 880 22.361 -10.589 8.215 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 881 27.439 -10.864 10.025 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 881 28.207 -11.323 10.366 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 881 27.418 -11.090 9.095 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 882 21.425 -8.694 -2.379 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 882 20.778 -9.156 -2.912 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 882 21.780 -9.366 -1.796 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 883 22.295 -10.613 -0.574 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 883 21.961 -11.494 -0.402 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 883 22.517 -10.268 0.290 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 884 23.967 -12.785 8.521 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 884 23.146 -12.610 8.061 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 884 23.715 -12.858 9.442 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 885 24.323 -8.554 4.827 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 885 23.603 -8.114 4.376 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 885 23.957 -8.805 5.676 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 886 26.790 -8.954 3.857 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 886 25.925 -8.882 4.261 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 886 26.735 -8.407 3.073 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 887 23.738 -9.931 1.738 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 887 23.719 -10.356 2.595 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 887 24.543 -10.249 1.329 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 888 25.180 -10.199 16.742 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 888 25.332 -10.547 17.621 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 888 24.329 -10.555 16.487 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 889 29.208 -8.723 11.917 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 889 30.141 -8.565 12.061 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 889 28.944 -8.048 11.292 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 890 21.425 -8.694 16.477 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 890 20.778 -9.156 15.944 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 890 21.780 -9.366 17.060 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 891 22.989 -10.707 13.765 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 891 22.304 -10.745 13.097 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 891 22.992 -9.794 14.053 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 892 24.807 -9.787 10.790 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 892 24.539 -9.500 11.663 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 892 25.578 -10.333 10.942 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 893 24.631 0.429 3.178 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 893 24.673 -0.197 3.902 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 893 25.334 1.052 3.360 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 894 22.165 -1.461 -2.894 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 894 21.717 -0.615 -2.912 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 894 21.604 -2.041 -3.409 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 895 22.875 0.701 -0.768 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 895 23.089 -0.069 -0.241 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 895 23.613 0.790 -1.371 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 896 23.568 -1.861 0.353 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 896 24.222 -2.411 0.785 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 896 23.592 -2.135 -0.563 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 897 25.758 -5.340 3.665 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 897 25.539 -4.810 2.899 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 897 25.090 -5.113 4.313 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 898 25.352 -3.448 1.618 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 898 25.965 -2.815 1.991 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 898 25.864 -3.920 0.961 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 899 25.269 1.009 6.032 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 899 25.339 1.660 6.730 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 899 24.378 1.112 5.697 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 900 22.185 3.076 4.857 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 900 21.684 3.048 4.042 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 900 22.191 2.170 5.167 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 901 21.936 5.856 1.741 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 901 22.882 5.712 1.722 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 901 21.823 6.640 2.278 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 902 24.434 4.399 5.900 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 902 24.651 4.038 6.760 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 902 23.579 4.025 5.690 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 903 27.053 -7.131 1.896 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 903 26.192 -7.218 1.488 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 903 27.031 -6.275 2.323 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 904 27.144 -2.165 2.991 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 904 26.502 -2.206 3.700 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 904 27.181 -1.239 2.753 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 905 21.502 -4.729 -1.292 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 905 22.133 -4.758 -0.572 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 905 21.952 -5.154 -2.022 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 906 25.013 2.864 8.138 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 906 25.746 3.118 8.699 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 906 24.233 3.068 8.653 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 907 29.669 -3.341 3.290 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 907 28.834 -2.887 3.400 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 907 30.193 -3.065 4.042 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 908 25.338 2.167 0.744 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 908 26.083 2.165 0.143 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 908 25.416 1.343 1.226 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 909 22.346 0.628 6.059 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 909 22.569 0.210 6.891 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 909 21.744 0.015 5.637 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 910 29.363 0.145 8.272 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 910 29.067 -0.021 7.377 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 910 30.294 -0.075 8.262 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 911 24.623 -7.480 0.914 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 911 24.394 -7.421 -0.013 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 911 24.180 -8.272 1.221 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 912 22.842 9.073 8.405 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 912 23.382 8.856 9.164 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 912 22.361 8.267 8.215 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 913 22.749 2.883 9.359 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 913 22.893 1.981 9.073 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 913 21.976 3.169 8.871 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 914 27.528 -0.908 6.153 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 914 26.910 -0.233 6.434 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 914 27.872 -0.587 5.320 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 915 27.868 -3.553 7.236 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 915 28.018 -4.282 6.633 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 915 27.870 -2.776 6.677 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 916 28.280 -5.183 4.728 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 916 28.816 -4.732 4.076 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 916 27.428 -5.291 4.306 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 917 29.086 -7.727 5.160 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 917 28.988 -6.780 5.054 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 917 28.343 -8.099 4.684 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 918 30.350 -3.405 8.723 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 918 30.114 -3.625 9.625 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 918 29.567 -3.612 8.214 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 919 29.308 -8.433 7.831 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 919 30.020 -9.073 7.817 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 919 29.207 -8.166 6.917 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 920 29.661 -6.750 9.885 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 920 29.530 -7.226 9.064 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 920 29.062 -6.006 9.829 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 921 22.375 1.318 1.877 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 921 22.559 1.236 0.942 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 921 23.224 1.194 2.301 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 922 23.194 -5.099 0.909 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 922 23.639 -5.891 1.211 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 922 23.660 -4.383 1.340 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 923 21.498 -2.100 1.978 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 923 21.990 -2.321 1.188 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 923 21.860 -1.259 2.259 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 924 21.811 -5.842 -3.967 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 924 20.886 -5.633 -4.097 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 924 22.265 -5.358 -4.657 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 925 21.775 -7.104 4.377 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 925 21.110 -7.350 5.020 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 925 21.332 -6.482 3.800 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 926 23.967 6.071 8.521 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 926 23.146 6.246 8.061 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 926 23.715 5.998 9.442 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 927 24.251 -7.597 -1.792 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 927 23.474 -7.831 -2.300 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 927 24.782 -8.394 -1.784 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 928 22.875 0.701 18.088 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 928 23.089 -0.069 18.615 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 928 23.613 0.790 17.485 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 929 26.948 -4.258 18.447 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 929 26.991 -3.398 18.029 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 929 26.490 -4.810 17.814 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 930 23.568 -1.861 19.209 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 930 24.222 -2.411 19.641 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 930 23.592 -2.135 18.293 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 931 28.724 -0.311 18.425 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 931 29.340 -0.837 18.934 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 931 28.138 -0.951 18.021 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 932 25.352 -3.448 20.474 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 932 25.965 -2.815 20.847 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 932 25.864 -3.920 19.817 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 933 22.856 3.971 14.378 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 933 22.584 4.200 13.489 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 933 22.901 4.809 14.838 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 934 27.102 1.643 17.309 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 934 26.772 1.273 16.490 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 934 27.690 0.973 17.655 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 935 26.092 0.713 14.898 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 935 25.800 1.481 14.407 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 935 25.418 0.053 14.735 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 936 27.141 -1.944 16.759 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 936 26.248 -2.285 16.700 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 936 27.592 -2.321 16.003 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 937 28.260 -4.471 10.512 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 937 27.829 -4.916 11.242 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 937 27.542 -4.099 10.000 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 938 21.502 -4.729 17.564 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 938 22.133 -4.758 18.284 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 938 21.952 -5.154 16.834 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 939 29.723 -4.517 17.845 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 939 28.812 -4.460 18.134 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 939 30.228 -4.577 18.656 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 940 28.204 -2.888 14.328 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 940 29.136 -2.759 14.506 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 940 27.989 -2.218 13.679 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 941 25.338 2.167 19.600 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 941 26.083 2.165 18.999 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 941 25.416 1.343 20.082 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 942 24.883 2.460 13.084 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 942 24.197 2.812 13.651 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 942 25.406 3.223 12.838 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 943 30.699 -3.498 15.295 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 943 31.511 -2.994 15.341 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 943 30.454 -3.643 16.209 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 944 27.240 -5.354 12.921 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 944 27.157 -4.465 13.267 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 944 28.130 -5.619 13.152 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 945 25.499 5.074 11.981 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 945 26.091 5.773 12.257 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 945 25.958 4.641 11.262 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 946 24.623 -7.480 19.770 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 946 24.394 -7.421 18.843 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 946 24.180 -8.272 20.077 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 947 27.090 3.227 10.347 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 947 27.154 2.433 10.878 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 947 27.743 3.108 9.658 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 948 28.239 1.199 12.653 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 948 27.780 0.715 13.339 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 948 28.494 0.531 12.017 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 949 29.310 -0.558 10.916 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 949 29.130 -0.712 9.988 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 949 30.261 -0.450 10.960 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 950 22.776 4.769 11.400 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 950 23.690 4.848 11.673 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 950 22.783 4.082 10.733 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 951 23.194 -5.099 19.765 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 951 23.639 -5.891 20.067 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 951 23.660 -4.383 20.196 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 952 21.498 -2.100 20.834 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 952 21.990 -2.321 20.044 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 952 21.860 -1.259 21.115 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 953 24.251 -7.597 17.064 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 953 23.474 -7.831 16.556 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 953 24.782 -8.394 17.072 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 954 23.088 -7.799 12.867 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 954 23.527 -7.188 12.276 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 954 22.454 -7.261 13.341 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 955 28.831 -7.670 16.877 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 955 29.705 -7.282 16.847 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 955 28.695 -7.885 17.800 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 956 29.975 -5.590 13.767 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 956 30.153 -6.236 14.450 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 956 29.921 -4.756 14.234 0.00 0.00 WAT1 END