REMARK FILENAME="/farm/data/gliu/projects/SgR46/cns/calc24_hb/refinedPDB_w/re" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:22-Jan-2010 14:15:52 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 9.191 -8.352 -6.693 1.00 52.20 ATOM 2 CB MET 1 10.526 -9.933 -7.247 1.00 43.04 ATOM 3 HB1 MET 1 9.872 -10.473 -7.924 1.00 37.16 ATOM 4 HB2 MET 1 11.160 -10.640 -6.733 1.00 62.05 ATOM 5 CG MET 1 11.411 -9.012 -8.072 1.00 15.30 ATOM 6 HG1 MET 1 12.200 -8.632 -7.440 1.00 37.16 ATOM 7 HG2 MET 1 10.817 -8.186 -8.439 1.00 65.55 ATOM 8 SD MET 1 12.156 -9.847 -9.485 1.00 44.44 ATOM 9 CE MET 1 13.342 -8.615 -10.019 1.00 52.35 ATOM 10 HE1 MET 1 14.039 -8.415 -9.218 1.00 33.10 ATOM 11 HE2 MET 1 12.823 -7.705 -10.280 1.00 62.40 ATOM 12 HE3 MET 1 13.879 -8.982 -10.881 1.00 0.41 ATOM 13 C MET 1 8.590 -10.128 -5.675 1.00 71.45 ATOM 14 O MET 1 8.782 -11.342 -5.607 1.00 34.11 ATOM 15 N MET 1 10.506 -8.689 -5.133 1.00 45.04 ATOM 16 HT1 MET 1 9.923 -8.178 -4.436 1.00 37.16 ATOM 17 HT2 MET 1 11.220 -8.028 -5.506 1.00 37.16 ATOM 18 HT3 MET 1 10.997 -9.470 -4.645 1.00 37.16 ATOM 19 CA MET 1 9.670 -9.197 -6.215 1.00 44.40 ATOM 20 N ALA 2 7.455 -9.552 -5.294 1.00 33.55 ATOM 21 HN ALA 2 7.358 -8.573 -5.360 1.00 37.16 ATOM 22 CA ALA 2 6.344 -10.332 -4.762 1.00 12.01 ATOM 23 HA ALA 2 6.517 -11.384 -4.958 1.00 13.05 ATOM 24 CB ALA 2 6.248 -10.154 -3.254 1.00 11.41 ATOM 25 HB1 ALA 2 5.458 -10.780 -2.863 1.00 51.14 ATOM 26 HB2 ALA 2 6.036 -9.120 -3.022 1.00 10.45 ATOM 27 HB3 ALA 2 7.186 -10.437 -2.800 1.00 22.52 ATOM 28 C ALA 2 5.029 -9.939 -5.428 1.00 23.14 ATOM 29 O ALA 2 4.923 -8.873 -6.032 1.00 44.43 ATOM 30 N ALA 3 4.030 -10.808 -5.313 1.00 23.13 ATOM 31 HN ALA 3 4.179 -11.655 -4.828 1.00 37.16 ATOM 32 CA ALA 3 2.722 -10.551 -5.902 1.00 44.24 ATOM 33 HA ALA 3 2.503 -9.492 -5.799 1.00 44.31 ATOM 34 CB ALA 3 2.741 -10.875 -7.389 1.00 11.40 ATOM 35 HB1 ALA 3 2.939 -11.928 -7.530 1.00 0.55 ATOM 36 HB2 ALA 3 3.517 -10.298 -7.870 1.00 15.10 ATOM 37 HB3 ALA 3 1.785 -10.626 -7.828 1.00 61.34 ATOM 38 C ALA 3 1.635 -11.354 -5.198 1.00 33.24 ATOM 39 O ALA 3 1.598 -12.581 -5.289 1.00 24.23 ATOM 40 N SER 4 0.750 -10.654 -4.494 1.00 62.23 ATOM 41 HN SER 4 0.822 -9.671 -4.461 1.00 37.16 ATOM 42 CA SER 4 -0.336 -11.303 -3.770 1.00 32.31 ATOM 43 HA SER 4 -0.097 -12.351 -3.633 1.00 3.40 ATOM 44 CB SER 4 -0.508 -10.668 -2.389 1.00 3.22 ATOM 45 HB1 SER 4 0.205 -11.111 -1.708 1.00 37.16 ATOM 46 HB2 SER 4 -1.509 -10.843 -2.014 1.00 72.35 ATOM 47 OG SER 4 -0.277 -9.271 -2.438 1.00 52.52 ATOM 48 HG SER 4 0.662 -9.093 -2.335 1.00 1.31 ATOM 49 C SER 4 -1.643 -11.209 -4.552 1.00 0.15 ATOM 50 O SER 4 -2.450 -12.139 -4.550 1.00 54.20 ATOM 51 N THR 5 -1.845 -10.078 -5.220 1.00 12.51 ATOM 52 HN THR 5 -1.187 -9.349 -5.165 1.00 37.16 ATOM 53 CA THR 5 -3.053 -9.859 -6.005 1.00 73.22 ATOM 54 HA THR 5 -3.493 -10.828 -6.231 1.00 42.10 ATOM 55 CB THR 5 -4.089 -9.028 -5.224 1.00 23.51 ATOM 56 HB THR 5 -3.811 -7.981 -5.263 1.00 64.22 ATOM 57 OG1 THR 5 -4.114 -9.441 -3.853 1.00 33.30 ATOM 58 HG1 THR 5 -4.441 -8.723 -3.304 1.00 11.11 ATOM 59 CG2 THR 5 -5.475 -9.182 -5.831 1.00 31.10 ATOM 60 HG21 THR 5 -5.538 -10.082 -6.430 1.00 31.45 ATOM 61 HG22 THR 5 -5.691 -8.326 -6.447 1.00 41.05 ATOM 62 HG23 THR 5 -6.209 -9.235 -5.038 1.00 42.22 ATOM 63 C THR 5 -2.736 -9.151 -7.317 1.00 42.21 ATOM 64 O THR 5 -2.035 -8.139 -7.334 1.00 43.01 ATOM 65 N VAL 6 -3.257 -9.688 -8.416 1.00 24.23 ATOM 66 HN VAL 6 -3.778 -10.516 -8.333 1.00 37.16 ATOM 67 CA VAL 6 -3.030 -9.106 -9.733 1.00 41.01 ATOM 68 HA VAL 6 -1.961 -9.044 -9.897 1.00 71.12 ATOM 69 CB VAL 6 -3.635 -9.982 -10.846 1.00 35.23 ATOM 70 HB VAL 6 -3.104 -10.923 -10.865 1.00 5.44 ATOM 71 CG1 VAL 6 -5.102 -10.269 -10.561 1.00 22.40 ATOM 72 HG11 VAL 6 -5.636 -9.347 -10.398 1.00 33.20 ATOM 73 HG12 VAL 6 -5.189 -10.891 -9.686 1.00 51.42 ATOM 74 HG13 VAL 6 -5.541 -10.789 -11.403 1.00 12.53 ATOM 75 CG2 VAL 6 -3.468 -9.312 -12.201 1.00 73.22 ATOM 76 HG21 VAL 6 -4.154 -8.482 -12.302 1.00 53.22 ATOM 77 HG22 VAL 6 -3.674 -10.034 -12.977 1.00 4.23 ATOM 78 HG23 VAL 6 -2.452 -8.955 -12.314 1.00 11.42 ATOM 79 C VAL 6 -3.624 -7.705 -9.824 1.00 73.14 ATOM 80 O VAL 6 -3.217 -6.899 -10.662 1.00 25.24 ATOM 81 N HIS 7 -4.591 -7.420 -8.957 1.00 64.41 ATOM 82 HN HIS 7 -4.931 -8.102 -8.350 1.00 37.16 ATOM 83 CA HIS 7 -5.241 -6.115 -8.939 1.00 34.12 ATOM 84 HA HIS 7 -5.947 -6.129 -8.124 1.00 60.41 ATOM 85 CB HIS 7 -4.209 -5.010 -8.716 1.00 45.01 ATOM 86 HB1 HIS 7 -3.733 -4.741 -9.650 1.00 37.16 ATOM 87 HB2 HIS 7 -3.452 -5.371 -8.034 1.00 41.32 ATOM 88 CG HIS 7 -4.784 -3.764 -8.116 1.00 72.31 ATOM 89 ND1 HIS 7 -4.122 -2.555 -8.113 1.00 2.14 ATOM 90 HD1 HIS 7 -3.233 -2.388 -8.490 1.00 23.53 ATOM 91 CD2 HIS 7 -5.969 -3.544 -7.499 1.00 24.52 ATOM 92 HD2 HIS 7 -6.747 -4.273 -7.324 1.00 51.11 ATOM 93 CE1 HIS 7 -4.873 -1.646 -7.518 1.00 0.43 ATOM 94 HE1 HIS 7 -4.611 -0.609 -7.370 1.00 2.44 ATOM 95 NE2 HIS 7 -5.999 -2.220 -7.136 1.00 74.43 ATOM 96 HE2 HIS 7 -6.771 -1.751 -6.756 1.00 37.16 ATOM 97 C HIS 7 -5.997 -5.867 -10.241 1.00 11.44 ATOM 98 O HIS 7 -5.804 -4.843 -10.898 1.00 32.02 ATOM 99 N THR 8 -6.858 -6.810 -10.609 1.00 34.11 ATOM 100 HN THR 8 -6.975 -7.606 -10.037 1.00 37.16 ATOM 101 CA THR 8 -7.641 -6.695 -11.833 1.00 15.44 ATOM 102 HA THR 8 -6.945 -6.507 -12.647 1.00 74.13 ATOM 103 CB THR 8 -8.405 -7.998 -12.136 1.00 44.32 ATOM 104 HB THR 8 -9.380 -7.955 -11.669 1.00 21.03 ATOM 105 OG1 THR 8 -7.693 -9.119 -11.599 1.00 54.52 ATOM 106 HG1 THR 8 -8.302 -9.845 -11.443 1.00 42.54 ATOM 107 CG2 THR 8 -8.590 -8.179 -13.635 1.00 73.41 ATOM 108 HG21 THR 8 -9.149 -9.079 -13.828 1.00 10.40 ATOM 109 HG22 THR 8 -7.622 -8.262 -14.104 1.00 31.45 ATOM 110 HG23 THR 8 -9.120 -7.330 -14.044 1.00 14.45 ATOM 111 C THR 8 -8.638 -5.545 -11.741 1.00 52.11 ATOM 112 O THR 8 -9.510 -5.534 -10.872 1.00 22.10 ATOM 113 N SER 9 -8.504 -4.578 -12.644 1.00 32.43 ATOM 114 HN SER 9 -7.798 -4.647 -13.330 1.00 37.16 ATOM 115 CA SER 9 -9.392 -3.422 -12.663 1.00 0.34 ATOM 116 HA SER 9 -9.769 -3.251 -11.661 1.00 2.22 ATOM 117 CB SER 9 -8.628 -2.173 -13.107 1.00 61.13 ATOM 118 HB1 SER 9 -8.359 -2.264 -14.131 1.00 37.16 ATOM 119 HB2 SER 9 -7.731 -2.079 -12.512 1.00 34.31 ATOM 120 OG SER 9 -9.411 -1.006 -12.929 1.00 1.41 ATOM 121 HG SER 9 -9.381 -0.733 -12.008 1.00 54.13 ATOM 122 C SER 9 -10.579 -3.663 -13.590 1.00 41.14 ATOM 123 O SER 9 -10.693 -4.721 -14.209 1.00 34.55 ATOM 124 N PHE 10 -11.461 -2.673 -13.682 1.00 45.24 ATOM 125 HN PHE 10 -11.334 -1.853 -13.149 1.00 37.16 ATOM 126 CA PHE 10 -12.640 -2.776 -14.534 1.00 31.25 ATOM 127 HA PHE 10 -12.487 -3.567 -15.259 1.00 60.14 ATOM 128 CB PHE 10 -13.873 -3.118 -13.694 1.00 24.42 ATOM 129 HB1 PHE 10 -14.720 -3.260 -14.354 1.00 37.16 ATOM 130 HB2 PHE 10 -14.088 -2.291 -13.026 1.00 42.10 ATOM 131 CG PHE 10 -13.706 -4.357 -12.861 1.00 63.55 ATOM 132 CD1 PHE 10 -14.205 -5.574 -13.298 1.00 52.14 ATOM 133 HD1 PHE 10 -14.713 -5.617 -14.240 1.00 64.32 ATOM 134 CD2 PHE 10 -13.049 -4.306 -11.643 1.00 21.14 ATOM 135 HD2 PHE 10 -12.647 -3.369 -11.300 1.00 72.21 ATOM 136 CE1 PHE 10 -14.054 -6.715 -12.534 1.00 24.30 ATOM 137 HE1 PHE 10 -14.448 -7.657 -12.886 1.00 21.43 ATOM 138 CE2 PHE 10 -12.894 -5.444 -10.874 1.00 21.40 ATOM 139 HE2 PHE 10 -12.377 -5.396 -9.932 1.00 73.11 ATOM 140 CZ PHE 10 -13.396 -6.651 -11.321 1.00 11.21 ATOM 141 HZ PHE 10 -13.277 -7.542 -10.722 1.00 22.12 ATOM 142 C PHE 10 -12.876 -1.476 -15.297 1.00 23.13 ATOM 143 O PHE 10 -12.404 -0.413 -14.893 1.00 13.34 ATOM 144 N ILE 11 -13.607 -1.570 -16.402 1.00 34.22 ATOM 145 HN ILE 11 -13.948 -2.451 -16.687 1.00 37.16 ATOM 146 CA ILE 11 -13.906 -0.402 -17.221 1.00 71.43 ATOM 147 HA ILE 11 -13.772 0.490 -16.614 1.00 45.10 ATOM 148 CB ILE 11 -12.965 -0.312 -18.437 1.00 4.22 ATOM 149 HB ILE 11 -13.344 -0.951 -19.226 1.00 43.02 ATOM 150 CG1 ILE 11 -11.561 -0.788 -18.059 1.00 23.14 ATOM 151 HG11 ILE 11 -11.600 -1.825 -17.756 1.00 37.16 ATOM 152 HG12 ILE 11 -11.191 -0.191 -17.240 1.00 24.44 ATOM 153 CG2 ILE 11 -12.921 1.113 -18.968 1.00 53.02 ATOM 154 HG21 ILE 11 -12.281 1.173 -19.834 1.00 4.12 ATOM 155 HG22 ILE 11 -12.546 1.776 -18.202 1.00 74.14 ATOM 156 HG23 ILE 11 -13.913 1.424 -19.253 1.00 72.40 ATOM 157 CD1 ILE 11 -10.562 -0.686 -19.190 1.00 55.25 ATOM 158 HD11 ILE 11 -9.872 0.119 -18.988 1.00 73.35 ATOM 159 HD12 ILE 11 -11.063 -0.500 -20.131 1.00 51.42 ATOM 160 HD13 ILE 11 -10.018 -1.605 -19.275 1.00 61.23 ATOM 161 C ILE 11 -15.350 -0.430 -17.712 1.00 2.54 ATOM 162 O ILE 11 -15.933 -1.498 -17.902 1.00 4.05 ATOM 163 N LEU 12 -15.921 0.752 -17.917 1.00 34.04 ATOM 164 HN LEU 12 -15.413 1.578 -17.743 1.00 37.16 ATOM 165 CA LEU 12 -17.298 0.865 -18.387 1.00 65.23 ATOM 166 HA LEU 12 -17.752 -0.120 -18.391 1.00 13.23 ATOM 167 CB LEU 12 -18.109 1.753 -17.443 1.00 51.41 ATOM 168 HB1 LEU 12 -17.604 2.708 -17.396 1.00 37.16 ATOM 169 HB2 LEU 12 -18.061 1.304 -16.459 1.00 41.23 ATOM 170 CG LEU 12 -19.575 1.970 -17.820 1.00 12.03 ATOM 171 HG LEU 12 -19.724 1.792 -18.875 1.00 2.33 ATOM 172 CD1 LEU 12 -20.469 0.994 -17.070 1.00 63.23 ATOM 173 HD11 LEU 12 -20.186 -0.019 -17.318 1.00 62.41 ATOM 174 HD12 LEU 12 -21.500 1.154 -17.353 1.00 51.42 ATOM 175 HD13 LEU 12 -20.362 1.145 -16.007 1.00 43.41 ATOM 176 CD2 LEU 12 -19.993 3.405 -17.534 1.00 43.21 ATOM 177 HD21 LEU 12 -20.701 3.438 -16.716 1.00 63.45 ATOM 178 HD22 LEU 12 -20.462 3.815 -18.415 1.00 32.45 ATOM 179 HD23 LEU 12 -19.141 4.012 -17.282 1.00 42.14 ATOM 180 C LEU 12 -17.344 1.431 -19.803 1.00 12.32 ATOM 181 O LEU 12 -16.719 2.451 -20.096 1.00 60.54 ATOM 182 N LYS 13 -18.091 0.765 -20.677 1.00 1.12 ATOM 183 HN LYS 13 -18.577 -0.043 -20.392 1.00 37.16 ATOM 184 CA LYS 13 -18.223 1.203 -22.061 1.00 73.13 ATOM 185 HA LYS 13 -17.602 2.073 -22.222 1.00 3.10 ATOM 186 CB LYS 13 -17.762 0.097 -23.014 1.00 0.43 ATOM 187 HB1 LYS 13 -17.944 0.419 -24.034 1.00 37.16 ATOM 188 HB2 LYS 13 -18.343 -0.792 -22.818 1.00 13.43 ATOM 189 CG LYS 13 -16.293 -0.259 -22.866 1.00 20.24 ATOM 190 HG1 LYS 13 -16.203 -1.099 -22.195 1.00 37.16 ATOM 191 HG2 LYS 13 -15.752 0.577 -22.455 1.00 1.21 ATOM 192 CD LYS 13 -15.670 -0.622 -24.203 1.00 44.31 ATOM 193 HD1 LYS 13 -14.623 -0.843 -24.051 1.00 37.16 ATOM 194 HD2 LYS 13 -15.767 0.215 -24.879 1.00 14.13 ATOM 195 CE LYS 13 -16.344 -1.837 -24.821 1.00 64.01 ATOM 196 HE1 LYS 13 -15.879 -2.039 -25.774 1.00 37.16 ATOM 197 HE2 LYS 13 -17.388 -1.630 -24.974 1.00 74.43 ATOM 198 NZ LYS 13 -16.210 -3.044 -23.959 1.00 45.10 ATOM 199 HZ1 LYS 13 -16.743 -2.929 -23.075 1.00 11.44 ATOM 200 HZ2 LYS 13 -15.212 -3.203 -23.737 1.00 4.34 ATOM 201 HZ3 LYS 13 -16.574 -3.879 -24.462 1.00 14.32 ATOM 202 C LYS 13 -19.665 1.589 -22.374 1.00 54.13 ATOM 203 O LYS 13 -20.604 1.055 -21.783 1.00 1.20 ATOM 204 N VAL 14 -19.835 2.519 -23.309 1.00 3.11 ATOM 205 HN VAL 14 -19.047 2.922 -23.744 1.00 37.16 ATOM 206 CA VAL 14 -21.163 2.975 -23.702 1.00 63.44 ATOM 207 HA VAL 14 -21.904 2.277 -23.320 1.00 44.41 ATOM 208 CB VAL 14 -21.475 4.365 -23.117 1.00 74.33 ATOM 209 HB VAL 14 -20.755 5.059 -23.508 1.00 75.34 ATOM 210 CG1 VAL 14 -22.868 4.816 -23.529 1.00 15.23 ATOM 211 HG11 VAL 14 -22.903 4.983 -24.594 1.00 14.32 ATOM 212 HG12 VAL 14 -23.115 5.740 -23.024 1.00 52.44 ATOM 213 HG13 VAL 14 -23.593 4.060 -23.259 1.00 50.41 ATOM 214 CG2 VAL 14 -21.337 4.348 -21.602 1.00 40.15 ATOM 215 HG21 VAL 14 -20.387 3.933 -21.322 1.00 42.45 ATOM 216 HG22 VAL 14 -22.127 3.751 -21.167 1.00 42.21 ATOM 217 HG23 VAL 14 -21.403 5.356 -21.229 1.00 74.44 ATOM 218 C VAL 14 -21.297 3.032 -25.220 1.00 3.11 ATOM 219 O VAL 14 -20.356 3.403 -25.924 1.00 14.43 ATOM 220 N LEU 15 -22.471 2.663 -25.719 1.00 12.02 ATOM 221 HN LEU 15 -23.190 2.371 -25.114 1.00 37.16 ATOM 222 CA LEU 15 -22.730 2.673 -27.155 1.00 23.15 ATOM 223 HA LEU 15 -21.858 3.070 -27.667 1.00 2.23 ATOM 224 CB LEU 15 -22.975 1.250 -27.658 1.00 74.43 ATOM 225 HB1 LEU 15 -23.989 0.954 -27.413 1.00 37.16 ATOM 226 HB2 LEU 15 -22.304 0.602 -27.110 1.00 12.24 ATOM 227 CG LEU 15 -22.739 1.016 -29.151 1.00 34.22 ATOM 228 HG LEU 15 -21.849 1.547 -29.461 1.00 53.03 ATOM 229 CD1 LEU 15 -22.517 -0.462 -29.431 1.00 34.40 ATOM 230 HD11 LEU 15 -23.395 -1.025 -29.143 1.00 33.30 ATOM 231 HD12 LEU 15 -21.664 -0.814 -28.867 1.00 31.15 ATOM 232 HD13 LEU 15 -22.329 -0.607 -30.486 1.00 3.11 ATOM 233 CD2 LEU 15 -23.911 1.545 -29.965 1.00 70.23 ATOM 234 HD21 LEU 15 -23.872 2.622 -29.996 1.00 14.54 ATOM 235 HD22 LEU 15 -24.831 1.233 -29.503 1.00 20.33 ATOM 236 HD23 LEU 15 -23.868 1.160 -30.977 1.00 32.01 ATOM 237 C LEU 15 -23.929 3.556 -27.486 1.00 24.22 ATOM 238 O LEU 15 -25.074 3.186 -27.228 1.00 11.34 ATOM 239 N TRP 16 -23.657 4.722 -28.060 1.00 61.24 ATOM 240 HN TRP 16 -22.719 4.960 -28.254 1.00 37.16 ATOM 241 CA TRP 16 -24.714 5.657 -28.429 1.00 60.44 ATOM 242 HA TRP 16 -25.466 5.631 -27.643 1.00 62.44 ATOM 243 CB TRP 16 -24.155 7.077 -28.531 1.00 22.34 ATOM 244 HB1 TRP 16 -23.842 7.284 -29.548 1.00 37.16 ATOM 245 HB2 TRP 16 -23.294 7.166 -27.881 1.00 60.01 ATOM 246 CG TRP 16 -25.138 8.133 -28.125 1.00 31.41 ATOM 247 CD1 TRP 16 -26.139 8.659 -28.891 1.00 65.34 ATOM 248 HD1 TRP 16 -26.344 8.366 -29.910 1.00 32.31 ATOM 249 CD2 TRP 16 -25.213 8.791 -26.856 1.00 52.51 ATOM 250 NE1 TRP 16 -26.831 9.605 -28.175 1.00 51.23 ATOM 251 HE1 TRP 16 -27.594 10.123 -28.507 1.00 54.32 ATOM 252 CE2 TRP 16 -26.284 9.705 -26.924 1.00 23.34 ATOM 253 CE3 TRP 16 -24.482 8.698 -25.669 1.00 31.41 ATOM 254 HE3 TRP 16 -23.659 8.011 -25.581 1.00 11.42 ATOM 255 CZ2 TRP 16 -26.637 10.517 -25.850 1.00 13.32 ATOM 256 HZ2 TRP 16 -27.454 11.211 -25.912 1.00 1.24 ATOM 257 CZ3 TRP 16 -24.834 9.505 -24.604 1.00 51.12 ATOM 258 HZ3 TRP 16 -24.279 9.446 -23.679 1.00 31.23 ATOM 259 CH2 TRP 16 -25.904 10.405 -24.700 1.00 32.42 ATOM 260 HH2 TRP 16 -26.144 11.017 -23.843 1.00 64.33 ATOM 261 C TRP 16 -25.358 5.255 -29.752 1.00 15.34 ATOM 262 O TRP 16 -24.692 5.197 -30.786 1.00 52.20 ATOM 263 N LEU 17 -26.657 4.979 -29.712 1.00 13.40 ATOM 264 HN LEU 17 -27.147 5.050 -28.860 1.00 37.16 ATOM 265 CA LEU 17 -27.392 4.584 -30.908 1.00 72.44 ATOM 266 HA LEU 17 -26.692 4.381 -31.710 1.00 22.40 ATOM 267 CB LEU 17 -28.193 3.308 -30.640 1.00 51.22 ATOM 268 HB1 LEU 17 -28.658 2.996 -31.565 1.00 37.16 ATOM 269 HB2 LEU 17 -28.985 3.551 -29.947 1.00 22.43 ATOM 270 CG LEU 17 -27.402 2.123 -30.085 1.00 11.32 ATOM 271 HG LEU 17 -26.572 2.481 -29.495 1.00 3.13 ATOM 272 CD1 LEU 17 -28.276 1.280 -29.170 1.00 31.13 ATOM 273 HD11 LEU 17 -29.147 0.936 -29.710 1.00 75.54 ATOM 274 HD12 LEU 17 -28.586 1.866 -28.326 1.00 11.15 ATOM 275 HD13 LEU 17 -27.715 0.425 -28.817 1.00 75.31 ATOM 276 CD2 LEU 17 -26.842 1.277 -31.219 1.00 11.20 ATOM 277 HD21 LEU 17 -27.651 0.928 -31.847 1.00 25.13 ATOM 278 HD22 LEU 17 -26.313 0.425 -30.815 1.00 72.54 ATOM 279 HD23 LEU 17 -26.161 1.872 -31.811 1.00 44.41 ATOM 280 C LEU 17 -28.327 5.698 -31.367 1.00 35.04 ATOM 281 O LEU 17 -28.301 6.805 -30.829 1.00 4.05 ATOM 282 N ASP 18 -29.155 5.397 -32.361 1.00 43.25 ATOM 283 HN ASP 18 -29.108 4.511 -32.786 1.00 37.16 ATOM 284 CA ASP 18 -30.101 6.372 -32.890 1.00 53.41 ATOM 285 HA ASP 18 -29.535 7.210 -33.280 1.00 21.35 ATOM 286 CB ASP 18 -30.931 5.752 -34.015 1.00 63.24 ATOM 287 HB1 ASP 18 -31.876 6.275 -34.107 1.00 37.16 ATOM 288 HB2 ASP 18 -31.127 4.714 -33.788 1.00 10.22 ATOM 289 CG ASP 18 -30.229 5.820 -35.357 1.00 44.04 ATOM 290 OD1 ASP 18 -29.005 5.576 -35.399 1.00 62.13 ATOM 291 OD2 ASP 18 -30.903 6.118 -36.366 1.00 2.43 ATOM 292 C ASP 18 -31.022 6.889 -31.789 1.00 24.15 ATOM 293 O ASP 18 -30.972 8.064 -31.427 1.00 14.04 ATOM 294 N GLN 19 -31.860 6.003 -31.261 1.00 71.31 ATOM 295 HN GLN 19 -31.857 5.071 -31.581 1.00 37.16 ATOM 296 CA GLN 19 -32.793 6.370 -30.202 1.00 43.32 ATOM 297 HA GLN 19 -32.575 7.377 -29.862 1.00 23.35 ATOM 298 CB GLN 19 -34.230 6.329 -30.723 1.00 54.40 ATOM 299 HB1 GLN 19 -34.921 6.373 -29.889 1.00 37.16 ATOM 300 HB2 GLN 19 -34.377 5.394 -31.246 1.00 2.11 ATOM 301 CG GLN 19 -34.571 7.478 -31.659 1.00 73.52 ATOM 302 HG1 GLN 19 -33.691 7.747 -32.232 1.00 37.16 ATOM 303 HG2 GLN 19 -34.877 8.325 -31.062 1.00 44.53 ATOM 304 CD GLN 19 -35.698 7.137 -32.615 1.00 21.34 ATOM 305 OE1 GLN 19 -36.819 6.850 -32.194 1.00 21.34 ATOM 306 NE2 GLN 19 -35.406 7.167 -33.910 1.00 22.34 ATOM 307 HE21 GLN 19 -34.494 7.403 -34.193 1.00 22.21 ATOM 308 HE22 GLN 19 -36.123 6.949 -34.542 1.00 63.02 ATOM 309 C GLN 19 -32.647 5.441 -29.002 1.00 35.30 ATOM 310 O GLN 19 -33.608 5.197 -28.274 1.00 14.25 ATOM 311 N ASN 20 -31.439 4.924 -28.803 1.00 33.12 ATOM 312 HN ASN 20 -30.699 5.154 -29.411 1.00 37.16 ATOM 313 CA ASN 20 -31.169 4.020 -27.691 1.00 25.30 ATOM 314 HA ASN 20 -31.731 4.345 -26.831 1.00 63.21 ATOM 315 CB ASN 20 -31.593 2.594 -28.051 1.00 2.45 ATOM 316 HB1 ASN 20 -31.238 1.900 -27.301 1.00 37.16 ATOM 317 HB2 ASN 20 -31.166 2.330 -29.006 1.00 51.42 ATOM 318 CG ASN 20 -33.099 2.446 -28.146 1.00 50.22 ATOM 319 OD1 ASN 20 -33.632 2.073 -29.191 1.00 70.31 ATOM 320 ND2 ASN 20 -33.793 2.740 -27.053 1.00 22.44 ATOM 321 HD21 ASN 20 -33.317 3.032 -26.244 1.00 52.13 ATOM 322 HD22 ASN 20 -34.768 2.653 -27.097 1.00 73.14 ATOM 323 C ASN 20 -29.689 4.043 -27.319 1.00 12.35 ATOM 324 O ASN 20 -28.888 4.726 -27.957 1.00 1.13 ATOM 325 N VAL 21 -29.334 3.292 -26.281 1.00 63.01 ATOM 326 HN VAL 21 -30.023 2.787 -25.788 1.00 37.16 ATOM 327 CA VAL 21 -27.951 3.225 -25.824 1.00 62.31 ATOM 328 HA VAL 21 -27.317 3.235 -26.700 1.00 44.23 ATOM 329 CB VAL 21 -27.591 4.437 -24.945 1.00 23.24 ATOM 330 HB VAL 21 -27.863 5.337 -25.477 1.00 44.10 ATOM 331 CG1 VAL 21 -28.372 4.401 -23.640 1.00 21.11 ATOM 332 HG11 VAL 21 -27.988 3.630 -22.986 1.00 22.42 ATOM 333 HG12 VAL 21 -29.407 4.206 -23.856 1.00 51.35 ATOM 334 HG13 VAL 21 -28.287 5.360 -23.149 1.00 2.51 ATOM 335 CG2 VAL 21 -26.094 4.475 -24.678 1.00 45.32 ATOM 336 HG21 VAL 21 -25.577 4.685 -25.594 1.00 10.33 ATOM 337 HG22 VAL 21 -25.751 3.535 -24.274 1.00 14.10 ATOM 338 HG23 VAL 21 -25.874 5.263 -23.969 1.00 42.42 ATOM 339 C VAL 21 -27.694 1.945 -25.036 1.00 61.05 ATOM 340 O VAL 21 -28.498 1.552 -24.192 1.00 3.24 ATOM 341 N ALA 22 -26.567 1.299 -25.319 1.00 75.21 ATOM 342 HN ALA 22 -25.954 1.658 -26.001 1.00 37.16 ATOM 343 CA ALA 22 -26.203 0.064 -24.635 1.00 42.33 ATOM 344 HA ALA 22 -27.005 -0.219 -23.972 1.00 73.45 ATOM 345 CB ALA 22 -26.019 -1.062 -25.642 1.00 34.13 ATOM 346 HB1 ALA 22 -25.200 -0.826 -26.307 1.00 53.52 ATOM 347 HB2 ALA 22 -26.925 -1.178 -26.218 1.00 44.43 ATOM 348 HB3 ALA 22 -25.806 -1.985 -25.121 1.00 15.54 ATOM 349 C ALA 22 -24.935 0.249 -23.808 1.00 71.31 ATOM 350 O ALA 22 -24.018 0.964 -24.212 1.00 64.54 ATOM 351 N ILE 23 -24.891 -0.399 -22.649 1.00 32.21 ATOM 352 HN ILE 23 -25.646 -0.970 -22.383 1.00 37.16 ATOM 353 CA ILE 23 -23.735 -0.306 -21.766 1.00 35.14 ATOM 354 HA ILE 23 -23.025 0.407 -22.176 1.00 33.40 ATOM 355 CB ILE 23 -24.137 0.184 -20.362 1.00 55.52 ATOM 356 HB ILE 23 -23.256 0.173 -19.731 1.00 41.30 ATOM 357 CG1 ILE 23 -25.205 -0.733 -19.764 1.00 33.43 ATOM 358 HG11 ILE 23 -24.991 -1.767 -19.990 1.00 37.16 ATOM 359 HG12 ILE 23 -26.166 -0.480 -20.184 1.00 72.35 ATOM 360 CG2 ILE 23 -24.640 1.619 -20.426 1.00 41.14 ATOM 361 HG21 ILE 23 -23.865 2.257 -20.828 1.00 42.32 ATOM 362 HG22 ILE 23 -24.899 1.957 -19.432 1.00 33.45 ATOM 363 HG23 ILE 23 -25.513 1.672 -21.062 1.00 64.12 ATOM 364 CD1 ILE 23 -25.319 -0.628 -18.259 1.00 43.40 ATOM 365 HD11 ILE 23 -24.349 -0.791 -17.811 1.00 20.45 ATOM 366 HD12 ILE 23 -26.007 -1.373 -17.894 1.00 30.44 ATOM 367 HD13 ILE 23 -25.674 0.351 -17.994 1.00 3.15 ATOM 368 C ILE 23 -23.031 -1.652 -21.639 1.00 22.53 ATOM 369 O ILE 23 -23.647 -2.705 -21.802 1.00 52.02 ATOM 370 N ALA 24 -21.735 -1.611 -21.345 1.00 14.25 ATOM 371 HN ALA 24 -21.289 -0.737 -21.241 1.00 37.16 ATOM 372 CA ALA 24 -20.947 -2.827 -21.191 1.00 73.35 ATOM 373 HA ALA 24 -21.593 -3.624 -20.839 1.00 64.10 ATOM 374 CB ALA 24 -20.368 -3.253 -22.532 1.00 42.14 ATOM 375 HB1 ALA 24 -19.825 -4.181 -22.417 1.00 21.43 ATOM 376 HB2 ALA 24 -19.701 -2.489 -22.900 1.00 15.15 ATOM 377 HB3 ALA 24 -21.172 -3.396 -23.239 1.00 52.05 ATOM 378 C ALA 24 -19.833 -2.634 -20.169 1.00 22.43 ATOM 379 O ALA 24 -19.601 -1.524 -19.690 1.00 62.03 ATOM 380 N VAL 25 -19.146 -3.723 -19.837 1.00 3.25 ATOM 381 HN VAL 25 -19.382 -4.590 -20.244 1.00 37.16 ATOM 382 CA VAL 25 -18.055 -3.673 -18.870 1.00 60.13 ATOM 383 HA VAL 25 -17.666 -2.665 -18.849 1.00 65.23 ATOM 384 CB VAL 25 -18.543 -4.032 -17.454 1.00 42.31 ATOM 385 HB VAL 25 -18.951 -5.031 -17.472 1.00 53.21 ATOM 386 CG1 VAL 25 -17.384 -4.014 -16.469 1.00 43.23 ATOM 387 HG11 VAL 25 -17.753 -4.251 -15.480 1.00 5.31 ATOM 388 HG12 VAL 25 -16.936 -3.037 -16.448 1.00 45.24 ATOM 389 HG13 VAL 25 -16.642 -4.746 -16.746 1.00 60.41 ATOM 390 CG2 VAL 25 -19.643 -3.078 -17.013 1.00 30.43 ATOM 391 HG21 VAL 25 -20.567 -3.349 -17.496 1.00 14.51 ATOM 392 HG22 VAL 25 -19.381 -2.064 -17.286 1.00 50.24 ATOM 393 HG23 VAL 25 -19.763 -3.126 -15.946 1.00 42.33 ATOM 394 C VAL 25 -16.929 -4.622 -19.264 1.00 23.34 ATOM 395 O VAL 25 -17.174 -5.758 -19.670 1.00 60.31 ATOM 396 N ASP 26 -15.694 -4.149 -19.139 1.00 64.45 ATOM 397 HN ASP 26 -15.551 -3.230 -18.814 1.00 37.16 ATOM 398 CA ASP 26 -14.528 -4.957 -19.480 1.00 41.35 ATOM 399 HA ASP 26 -14.852 -5.970 -19.702 1.00 24.04 ATOM 400 CB ASP 26 -13.825 -4.382 -20.711 1.00 52.23 ATOM 401 HB1 ASP 26 -12.779 -4.666 -20.706 1.00 37.16 ATOM 402 HB2 ASP 26 -13.895 -3.304 -20.696 1.00 72.23 ATOM 403 CG ASP 26 -14.432 -4.879 -22.009 1.00 5.30 ATOM 404 OD1 ASP 26 -13.703 -4.933 -23.022 1.00 70.31 ATOM 405 OD2 ASP 26 -15.634 -5.214 -22.011 1.00 53.23 ATOM 406 C ASP 26 -13.553 -5.026 -18.309 1.00 13.10 ATOM 407 O ASP 26 -13.335 -4.035 -17.613 1.00 4.03 ATOM 408 N GLN 27 -12.972 -6.202 -18.098 1.00 34.53 ATOM 409 HN GLN 27 -13.173 -6.955 -18.701 1.00 37.16 ATOM 410 CA GLN 27 -12.023 -6.401 -17.009 1.00 43.42 ATOM 411 HA GLN 27 -12.250 -5.691 -16.219 1.00 35.42 ATOM 412 CB GLN 27 -12.163 -7.810 -16.432 1.00 63.43 ATOM 413 HB1 GLN 27 -13.202 -7.983 -16.187 1.00 37.16 ATOM 414 HB2 GLN 27 -11.572 -7.867 -15.532 1.00 5.54 ATOM 415 CG GLN 27 -11.698 -8.904 -17.380 1.00 24.42 ATOM 416 HG1 GLN 27 -10.640 -8.796 -17.559 1.00 37.16 ATOM 417 HG2 GLN 27 -12.230 -8.814 -18.314 1.00 34.31 ATOM 418 CD GLN 27 -11.939 -10.296 -16.828 1.00 52.43 ATOM 419 OE1 GLN 27 -13.029 -10.851 -16.968 1.00 53.14 ATOM 420 NE2 GLN 27 -10.921 -10.867 -16.197 1.00 23.53 ATOM 421 HE21 GLN 27 -10.072 -10.377 -16.115 1.00 41.10 ATOM 422 HE22 GLN 27 -11.057 -11.767 -15.833 1.00 12.04 ATOM 423 C GLN 27 -10.592 -6.173 -17.487 1.00 32.53 ATOM 424 O GLN 27 -10.175 -6.720 -18.508 1.00 42.54 ATOM 425 N ILE 28 -9.846 -5.365 -16.742 1.00 14.24 ATOM 426 HN ILE 28 -10.229 -4.964 -15.933 1.00 37.16 ATOM 427 CA ILE 28 -8.463 -5.067 -17.089 1.00 44.50 ATOM 428 HA ILE 28 -8.391 -5.007 -18.166 1.00 51.00 ATOM 429 CB ILE 28 -8.015 -3.713 -16.506 1.00 23.44 ATOM 430 HB ILE 28 -8.044 -3.784 -15.431 1.00 64.21 ATOM 431 CG1 ILE 28 -8.959 -2.599 -16.961 1.00 72.22 ATOM 432 HG11 ILE 28 -9.946 -2.779 -16.560 1.00 37.16 ATOM 433 HG12 ILE 28 -9.003 -2.600 -18.028 1.00 52.31 ATOM 434 CG2 ILE 28 -6.584 -3.405 -16.921 1.00 21.12 ATOM 435 HG21 ILE 28 -6.248 -2.495 -16.449 1.00 4.25 ATOM 436 HG22 ILE 28 -6.535 -3.285 -17.992 1.00 63.50 ATOM 437 HG23 ILE 28 -5.924 -4.207 -16.624 1.00 2.13 ATOM 438 CD1 ILE 28 -8.521 -1.219 -16.524 1.00 45.04 ATOM 439 HD11 ILE 28 -9.383 -0.664 -16.187 1.00 13.03 ATOM 440 HD12 ILE 28 -8.078 -0.705 -17.364 1.00 23.14 ATOM 441 HD13 ILE 28 -7.800 -1.270 -15.724 1.00 55.52 ATOM 442 C ILE 28 -7.523 -6.159 -16.590 1.00 2.32 ATOM 443 O ILE 28 -7.278 -6.282 -15.389 1.00 54.45 ATOM 444 N VAL 29 -6.997 -6.950 -17.520 1.00 4.44 ATOM 445 HN VAL 29 -7.213 -6.801 -18.463 1.00 37.16 ATOM 446 CA VAL 29 -6.081 -8.030 -17.175 1.00 24.41 ATOM 447 HA VAL 29 -6.273 -8.333 -16.149 1.00 53.23 ATOM 448 CB VAL 29 -6.294 -9.257 -18.081 1.00 31.50 ATOM 449 HB VAL 29 -5.881 -9.047 -19.060 1.00 43.23 ATOM 450 CG1 VAL 29 -5.575 -10.472 -17.514 1.00 10.13 ATOM 451 HG11 VAL 29 -5.771 -10.560 -16.453 1.00 42.22 ATOM 452 HG12 VAL 29 -4.515 -10.374 -17.679 1.00 74.13 ATOM 453 HG13 VAL 29 -5.920 -11.369 -18.013 1.00 34.44 ATOM 454 CG2 VAL 29 -7.779 -9.539 -18.254 1.00 61.53 ATOM 455 HG21 VAL 29 -7.911 -10.430 -18.852 1.00 62.54 ATOM 456 HG22 VAL 29 -8.254 -8.708 -18.751 1.00 11.22 ATOM 457 HG23 VAL 29 -8.237 -9.689 -17.286 1.00 12.13 ATOM 458 C VAL 29 -4.629 -7.577 -17.286 1.00 13.15 ATOM 459 O VAL 29 -4.323 -6.603 -17.972 1.00 2.14 ATOM 460 N GLY 30 -3.738 -8.291 -16.605 1.00 31.42 ATOM 461 HN GLY 30 -4.029 -9.029 -16.028 1.00 37.16 ATOM 462 CA GLY 30 -2.329 -7.947 -16.640 1.00 63.50 ATOM 463 HA1 GLY 30 -1.764 -8.742 -16.176 1.00 37.16 ATOM 464 HA2 GLY 30 -2.178 -7.037 -16.078 1.00 60.54 ATOM 465 C GLY 30 -1.817 -7.742 -18.052 1.00 71.11 ATOM 466 O GLY 30 -1.148 -6.749 -18.340 1.00 73.43 ATOM 467 N LYS 31 -2.130 -8.684 -18.936 1.00 12.42 ATOM 468 HN LYS 31 -2.667 -9.460 -18.645 1.00 37.16 ATOM 469 CA LYS 31 -1.698 -8.603 -20.326 1.00 41.20 ATOM 470 HA LYS 31 -0.615 -8.563 -20.333 1.00 51.35 ATOM 471 CB LYS 31 -2.163 -9.839 -21.099 1.00 23.33 ATOM 472 HB1 LYS 31 -3.182 -9.692 -21.436 1.00 37.16 ATOM 473 HB2 LYS 31 -2.151 -10.690 -20.434 1.00 55.41 ATOM 474 CG LYS 31 -1.308 -10.154 -22.314 1.00 40.44 ATOM 475 HG1 LYS 31 -1.008 -9.227 -22.788 1.00 37.16 ATOM 476 HG2 LYS 31 -1.900 -10.725 -23.016 1.00 61.11 ATOM 477 CD LYS 31 -0.059 -10.931 -21.932 1.00 53.53 ATOM 478 HD1 LYS 31 0.250 -10.671 -20.926 1.00 37.16 ATOM 479 HD2 LYS 31 0.729 -10.668 -22.622 1.00 3.43 ATOM 480 CE LYS 31 -0.289 -12.432 -22.016 1.00 14.31 ATOM 481 HE1 LYS 31 0.645 -12.902 -22.286 1.00 37.16 ATOM 482 HE2 LYS 31 -1.027 -12.657 -22.775 1.00 72.22 ATOM 483 NZ LYS 31 -0.742 -12.997 -20.715 1.00 0.35 ATOM 484 HZ1 LYS 31 -0.696 -14.036 -20.748 1.00 31.51 ATOM 485 HZ2 LYS 31 -1.723 -12.719 -20.524 1.00 33.42 ATOM 486 HZ3 LYS 31 -0.137 -12.662 -19.934 1.00 0.23 ATOM 487 C LYS 31 -2.239 -7.341 -20.992 1.00 22.44 ATOM 488 O LYS 31 -1.623 -6.799 -21.908 1.00 74.14 ATOM 489 N GLY 32 -3.394 -6.879 -20.522 1.00 44.53 ATOM 490 HN GLY 32 -3.870 -7.368 -19.821 1.00 37.16 ATOM 491 CA GLY 32 -3.997 -5.684 -21.083 1.00 44.41 ATOM 492 HA1 GLY 32 -3.965 -5.737 -22.166 1.00 37.16 ATOM 493 HA2 GLY 32 -3.425 -4.826 -20.762 1.00 53.20 ATOM 494 C GLY 32 -5.435 -5.499 -20.643 1.00 12.44 ATOM 495 O GLY 32 -5.699 -4.966 -19.564 1.00 32.31 ATOM 496 N THR 33 -6.370 -5.938 -21.480 1.00 10.33 ATOM 497 HN THR 33 -6.100 -6.346 -22.338 1.00 37.16 ATOM 498 CA THR 33 -7.789 -5.815 -21.173 1.00 34.45 ATOM 499 HA THR 33 -7.920 -5.896 -20.103 1.00 21.33 ATOM 500 CB THR 33 -8.349 -4.456 -21.633 1.00 61.24 ATOM 501 HB THR 33 -9.414 -4.547 -21.821 1.00 44.12 ATOM 502 OG1 THR 33 -7.700 -4.044 -22.841 1.00 51.53 ATOM 503 HG1 THR 33 -8.270 -3.441 -23.326 1.00 33.21 ATOM 504 CG2 THR 33 -8.152 -3.398 -20.559 1.00 10.42 ATOM 505 HG21 THR 33 -7.101 -3.255 -20.372 1.00 33.22 ATOM 506 HG22 THR 33 -8.643 -3.710 -19.660 1.00 13.52 ATOM 507 HG23 THR 33 -8.583 -2.466 -20.895 1.00 54.33 ATOM 508 C THR 33 -8.592 -6.932 -21.830 1.00 15.10 ATOM 509 O THR 33 -8.274 -7.371 -22.935 1.00 42.20 ATOM 510 N SER 34 -9.636 -7.387 -21.144 1.00 21.11 ATOM 511 HN SER 34 -9.840 -7.005 -20.260 1.00 37.16 ATOM 512 CA SER 34 -10.483 -8.455 -21.661 1.00 33.54 ATOM 513 HA SER 34 -10.342 -8.507 -22.733 1.00 55.24 ATOM 514 CB SER 34 -10.085 -9.796 -21.040 1.00 71.14 ATOM 515 HB1 SER 34 -10.897 -10.208 -20.454 1.00 37.16 ATOM 516 HB2 SER 34 -9.233 -9.659 -20.409 1.00 23.32 ATOM 517 OG SER 34 -9.733 -10.736 -22.041 1.00 31.24 ATOM 518 HG SER 34 -9.638 -11.605 -21.645 1.00 52.12 ATOM 519 C SER 34 -11.954 -8.168 -21.376 1.00 54.43 ATOM 520 O SER 34 -12.301 -7.406 -20.473 1.00 31.41 ATOM 521 N PRO 35 -12.842 -8.791 -22.166 1.00 4.21 ATOM 522 CA PRO 35 -14.290 -8.618 -22.019 1.00 60.51 ATOM 523 HA PRO 35 -14.565 -7.576 -22.045 1.00 73.20 ATOM 524 CB PRO 35 -14.858 -9.324 -23.253 1.00 40.43 ATOM 525 HB1 PRO 35 -14.998 -8.602 -24.043 1.00 37.16 ATOM 526 HB2 PRO 35 -15.806 -9.797 -23.026 1.00 41.33 ATOM 527 CG PRO 35 -13.822 -10.327 -23.626 1.00 72.43 ATOM 528 HG1 PRO 35 -13.865 -10.522 -24.687 1.00 37.16 ATOM 529 HG2 PRO 35 -13.977 -11.239 -23.069 1.00 75.21 ATOM 530 CD PRO 35 -12.499 -9.712 -23.262 1.00 73.14 ATOM 531 HD1 PRO 35 -12.085 -9.177 -24.104 1.00 37.16 ATOM 532 HD2 PRO 35 -11.829 -10.481 -22.937 1.00 74.05 ATOM 533 C PRO 35 -14.824 -9.263 -20.744 1.00 52.25 ATOM 534 O PRO 35 -14.414 -10.363 -20.374 1.00 25.33 ATOM 535 N LEU 36 -15.742 -8.572 -20.078 1.00 1.54 ATOM 536 HN LEU 36 -16.035 -7.697 -20.418 1.00 37.16 ATOM 537 CA LEU 36 -16.333 -9.077 -18.844 1.00 34.04 ATOM 538 HA LEU 36 -15.859 -10.011 -18.590 1.00 73.42 ATOM 539 CB LEU 36 -16.112 -8.081 -17.704 1.00 32.34 ATOM 540 HB1 LEU 36 -16.668 -7.184 -17.921 1.00 37.16 ATOM 541 HB2 LEU 36 -15.060 -7.829 -17.687 1.00 31.02 ATOM 542 CG LEU 36 -16.512 -8.560 -16.307 1.00 53.35 ATOM 543 HG LEU 36 -17.574 -8.754 -16.290 1.00 71.23 ATOM 544 CD1 LEU 36 -15.795 -9.855 -15.961 1.00 71.33 ATOM 545 HD11 LEU 36 -16.090 -10.638 -16.639 1.00 21.14 ATOM 546 HD12 LEU 36 -16.049 -10.150 -14.953 1.00 70.52 ATOM 547 HD13 LEU 36 -14.734 -9.699 -16.025 1.00 25.11 ATOM 548 CD2 LEU 36 -16.212 -7.488 -15.270 1.00 2.20 ATOM 549 HD21 LEU 36 -15.149 -7.303 -15.249 1.00 23.24 ATOM 550 HD22 LEU 36 -16.538 -7.824 -14.295 1.00 73.14 ATOM 551 HD23 LEU 36 -16.732 -6.576 -15.525 1.00 44.11 ATOM 552 C LEU 36 -17.825 -9.339 -19.022 1.00 73.55 ATOM 553 O LEU 36 -18.329 -10.402 -18.655 1.00 41.42 ATOM 554 N THR 37 -18.528 -8.365 -19.592 1.00 34.15 ATOM 555 HN THR 37 -18.084 -7.525 -19.848 1.00 37.16 ATOM 556 CA THR 37 -19.962 -8.491 -19.821 1.00 12.34 ATOM 557 HA THR 37 -20.252 -9.532 -19.717 1.00 63.23 ATOM 558 CB THR 37 -20.769 -7.668 -18.798 1.00 44.32 ATOM 559 HB THR 37 -21.826 -7.803 -18.994 1.00 24.44 ATOM 560 OG1 THR 37 -20.442 -6.279 -18.920 1.00 40.14 ATOM 561 HG1 THR 37 -21.041 -5.860 -19.543 1.00 12.44 ATOM 562 CG2 THR 37 -20.484 -8.138 -17.380 1.00 20.02 ATOM 563 HG21 THR 37 -19.436 -8.002 -17.159 1.00 34.44 ATOM 564 HG22 THR 37 -20.741 -9.184 -17.284 1.00 0.22 ATOM 565 HG23 THR 37 -21.075 -7.559 -16.685 1.00 71.34 ATOM 566 C THR 37 -20.336 -8.039 -21.228 1.00 1.24 ATOM 567 O THR 37 -19.583 -7.314 -21.878 1.00 25.22 ATOM 568 N SER 38 -21.504 -8.471 -21.692 1.00 40.43 ATOM 569 HN SER 38 -22.075 -9.036 -21.118 1.00 37.16 ATOM 570 CA SER 38 -21.976 -8.112 -23.025 1.00 32.44 ATOM 571 HA SER 38 -21.118 -7.934 -23.664 1.00 73.24 ATOM 572 CB SER 38 -22.799 -9.256 -23.622 1.00 2.14 ATOM 573 HB1 SER 38 -23.839 -8.969 -23.721 1.00 37.16 ATOM 574 HB2 SER 38 -22.737 -10.124 -22.979 1.00 22.24 ATOM 575 OG SER 38 -22.310 -9.622 -24.901 1.00 14.24 ATOM 576 HG SER 38 -22.640 -9.007 -25.561 1.00 3.43 ATOM 577 C SER 38 -22.814 -6.838 -22.980 1.00 4.13 ATOM 578 O SER 38 -23.116 -6.318 -21.905 1.00 51.04 ATOM 579 N TYR 39 -23.185 -6.340 -24.154 1.00 23.01 ATOM 580 HN TYR 39 -22.920 -6.808 -24.982 1.00 37.16 ATOM 581 CA TYR 39 -23.985 -5.125 -24.250 1.00 71.04 ATOM 582 HA TYR 39 -23.524 -4.367 -23.626 1.00 2.14 ATOM 583 CB TYR 39 -24.020 -4.625 -25.696 1.00 24.53 ATOM 584 HB1 TYR 39 -24.856 -3.943 -25.824 1.00 37.16 ATOM 585 HB2 TYR 39 -24.162 -5.470 -26.358 1.00 13.03 ATOM 586 CG TYR 39 -22.764 -3.894 -26.114 1.00 13.54 ATOM 587 CD1 TYR 39 -21.764 -4.542 -26.828 1.00 1.24 ATOM 588 HD1 TYR 39 -21.889 -5.584 -27.087 1.00 4.44 ATOM 589 CD2 TYR 39 -22.578 -2.554 -25.794 1.00 30.42 ATOM 590 HD2 TYR 39 -23.345 -2.031 -25.238 1.00 35.15 ATOM 591 CE1 TYR 39 -20.615 -3.877 -27.211 1.00 61.50 ATOM 592 HE1 TYR 39 -19.849 -4.399 -27.766 1.00 34.22 ATOM 593 CE2 TYR 39 -21.433 -1.882 -26.174 1.00 50.23 ATOM 594 HE2 TYR 39 -21.305 -0.844 -25.912 1.00 1.53 ATOM 595 CZ TYR 39 -20.454 -2.548 -26.882 1.00 54.55 ATOM 596 OH TYR 39 -19.312 -1.881 -27.262 1.00 63.41 ATOM 597 HH TYR 39 -18.820 -1.601 -26.488 1.00 62.10 ATOM 598 C TYR 39 -25.406 -5.367 -23.750 1.00 62.41 ATOM 599 O TYR 39 -25.903 -6.494 -23.778 1.00 2.50 ATOM 600 N PHE 40 -26.055 -4.302 -23.293 1.00 41.30 ATOM 601 HN PHE 40 -25.605 -3.424 -23.282 1.00 37.16 ATOM 602 CA PHE 40 -27.419 -4.397 -22.786 1.00 2.33 ATOM 603 HA PHE 40 -27.856 -5.327 -23.126 1.00 42.33 ATOM 604 CB PHE 40 -27.419 -4.379 -21.256 1.00 2.23 ATOM 605 HB1 PHE 40 -28.441 -4.380 -20.900 1.00 37.16 ATOM 606 HB2 PHE 40 -26.931 -3.474 -20.919 1.00 42.23 ATOM 607 CG PHE 40 -26.722 -5.559 -20.642 1.00 64.34 ATOM 608 CD1 PHE 40 -26.968 -6.843 -21.104 1.00 2.54 ATOM 609 HD1 PHE 40 -27.670 -7.002 -21.909 1.00 43.01 ATOM 610 CD2 PHE 40 -25.820 -5.386 -19.605 1.00 45.12 ATOM 611 HD2 PHE 40 -25.617 -4.390 -19.234 1.00 62.05 ATOM 612 CE1 PHE 40 -26.328 -7.930 -20.540 1.00 71.54 ATOM 613 HE1 PHE 40 -26.528 -8.925 -20.908 1.00 72.51 ATOM 614 CE2 PHE 40 -25.176 -6.470 -19.038 1.00 74.12 ATOM 615 HE2 PHE 40 -24.475 -6.321 -18.230 1.00 32.43 ATOM 616 CZ PHE 40 -25.430 -7.744 -19.507 1.00 54.03 ATOM 617 HZ PHE 40 -24.929 -8.593 -19.066 1.00 63.45 ATOM 618 C PHE 40 -28.278 -3.254 -23.319 1.00 32.20 ATOM 619 O PHE 40 -27.991 -2.081 -23.078 1.00 63.54 ATOM 620 N PHE 41 -29.334 -3.605 -24.045 1.00 74.41 ATOM 621 HN PHE 41 -29.524 -4.562 -24.192 1.00 37.16 ATOM 622 CA PHE 41 -30.236 -2.610 -24.614 1.00 63.45 ATOM 623 HA PHE 41 -29.640 -1.766 -24.952 1.00 41.30 ATOM 624 CB PHE 41 -30.993 -3.200 -25.807 1.00 5.35 ATOM 625 HB1 PHE 41 -31.991 -2.774 -25.854 1.00 37.16 ATOM 626 HB2 PHE 41 -31.088 -4.271 -25.679 1.00 51.14 ATOM 627 CG PHE 41 -30.321 -2.949 -27.126 1.00 63.34 ATOM 628 CD1 PHE 41 -29.203 -3.678 -27.499 1.00 61.11 ATOM 629 HD1 PHE 41 -28.812 -4.435 -26.833 1.00 31.33 ATOM 630 CD2 PHE 41 -30.807 -1.985 -27.994 1.00 42.41 ATOM 631 HD2 PHE 41 -31.679 -1.408 -27.718 1.00 54.21 ATOM 632 CE1 PHE 41 -28.582 -3.450 -28.713 1.00 74.51 ATOM 633 HE1 PHE 41 -27.711 -4.025 -28.991 1.00 34.43 ATOM 634 CE2 PHE 41 -30.191 -1.753 -29.209 1.00 41.24 ATOM 635 HE2 PHE 41 -30.580 -0.998 -29.877 1.00 11.23 ATOM 636 CZ PHE 41 -29.077 -2.486 -29.569 1.00 4.32 ATOM 637 HZ PHE 41 -28.594 -2.306 -30.518 1.00 1.31 ATOM 638 C PHE 41 -31.225 -2.110 -23.566 1.00 53.14 ATOM 639 O PHE 41 -31.616 -2.850 -22.663 1.00 42.41 ATOM 640 N TRP 42 -31.626 -0.850 -23.694 1.00 24.12 ATOM 641 HN TRP 42 -31.268 -0.300 -24.432 1.00 37.16 ATOM 642 CA TRP 42 -32.569 -0.250 -22.758 1.00 12.25 ATOM 643 HA TRP 42 -33.228 -1.017 -22.452 1.00 44.20 ATOM 644 CB TRP 42 -31.832 0.276 -21.525 1.00 24.21 ATOM 645 HB1 TRP 42 -30.829 -0.132 -21.504 1.00 37.16 ATOM 646 HB2 TRP 42 -32.350 -0.045 -20.635 1.00 33.13 ATOM 647 CG TRP 42 -31.714 1.770 -21.496 1.00 25.35 ATOM 648 CD1 TRP 42 -31.036 2.556 -22.383 1.00 74.15 ATOM 649 HD1 TRP 42 -30.499 2.182 -23.233 1.00 64.12 ATOM 650 CD2 TRP 42 -32.288 2.656 -20.529 1.00 25.25 ATOM 651 NE1 TRP 42 -31.155 3.878 -22.027 1.00 22.54 ATOM 652 HE1 TRP 42 -30.771 4.637 -22.500 1.00 11.24 ATOM 653 CE2 TRP 42 -31.918 3.966 -20.893 1.00 32.53 ATOM 654 CE3 TRP 42 -33.079 2.471 -19.392 1.00 31.21 ATOM 655 HE3 TRP 42 -33.381 1.485 -19.074 1.00 50.24 ATOM 656 CZ2 TRP 42 -32.313 5.081 -20.159 1.00 52.12 ATOM 657 HZ2 TRP 42 -32.026 6.077 -20.435 1.00 52.11 ATOM 658 CZ3 TRP 42 -33.470 3.579 -18.665 1.00 20.02 ATOM 659 HZ3 TRP 42 -34.082 3.454 -17.784 1.00 44.50 ATOM 660 CH2 TRP 42 -33.088 4.871 -19.051 1.00 23.42 ATOM 661 HH2 TRP 42 -33.416 5.708 -18.452 1.00 63.21 ATOM 662 C TRP 42 -33.348 0.881 -23.420 1.00 12.22 ATOM 663 O TRP 42 -32.951 1.418 -24.454 1.00 61.11 ATOM 664 N PRO 43 -34.484 1.254 -22.812 1.00 73.20 ATOM 665 CA PRO 43 -34.968 0.622 -21.581 1.00 24.22 ATOM 666 HA PRO 43 -34.242 0.620 -20.807 1.00 21.40 ATOM 667 CB PRO 43 -36.137 1.515 -21.159 1.00 74.43 ATOM 668 HB1 PRO 43 -35.782 2.262 -20.466 1.00 37.16 ATOM 669 HB2 PRO 43 -36.920 0.931 -20.689 1.00 70.40 ATOM 670 CG PRO 43 -36.609 2.144 -22.425 1.00 21.42 ATOM 671 HG1 PRO 43 -37.060 3.102 -22.213 1.00 37.16 ATOM 672 HG2 PRO 43 -37.319 1.494 -22.916 1.00 43.01 ATOM 673 CD PRO 43 -35.385 2.321 -23.280 1.00 71.54 ATOM 674 HD1 PRO 43 -34.947 3.294 -23.115 1.00 37.16 ATOM 675 HD2 PRO 43 -35.631 2.188 -24.323 1.00 53.14 ATOM 676 C PRO 43 -35.445 -0.808 -21.812 1.00 2.12 ATOM 677 O PRO 43 -35.748 -1.532 -20.863 1.00 52.24 ATOM 678 N ARG 44 -35.509 -1.208 -23.077 1.00 65.34 ATOM 679 HN ARG 44 -35.332 -0.582 -23.806 1.00 37.16 ATOM 680 CA ARG 44 -35.950 -2.552 -23.432 1.00 43.24 ATOM 681 HA ARG 44 -37.031 -2.551 -23.455 1.00 60.03 ATOM 682 CB ARG 44 -35.412 -2.941 -24.811 1.00 12.42 ATOM 683 HB1 ARG 44 -35.447 -4.019 -24.920 1.00 37.16 ATOM 684 HB2 ARG 44 -34.380 -2.622 -24.875 1.00 60.11 ATOM 685 CG ARG 44 -36.198 -2.337 -25.963 1.00 41.24 ATOM 686 HG1 ARG 44 -36.561 -1.357 -25.678 1.00 37.16 ATOM 687 HG2 ARG 44 -37.038 -2.978 -26.187 1.00 40.34 ATOM 688 CD ARG 44 -35.336 -2.188 -27.207 1.00 51.24 ATOM 689 HD1 ARG 44 -34.305 -2.025 -26.919 1.00 37.16 ATOM 690 HD2 ARG 44 -35.673 -1.324 -27.761 1.00 13.23 ATOM 691 NE ARG 44 -35.398 -3.371 -28.061 1.00 23.31 ATOM 692 HE ARG 44 -34.643 -3.998 -28.017 1.00 55.11 ATOM 693 CZ ARG 44 -36.410 -3.635 -28.880 1.00 45.33 ATOM 694 NH1 ARG 44 -37.439 -2.802 -28.957 1.00 23.30 ATOM 695 HH11 ARG 44 -37.482 -1.971 -28.409 1.00 54.14 ATOM 696 HH12 ARG 44 -38.195 -3.009 -29.581 1.00 22.33 ATOM 697 NH2 ARG 44 -36.393 -4.732 -29.626 1.00 21.45 ATOM 698 HH21 ARG 44 -35.617 -5.364 -29.574 1.00 23.14 ATOM 699 HH22 ARG 44 -37.156 -4.933 -30.244 1.00 2.24 ATOM 700 C ARG 44 -35.491 -3.568 -22.391 1.00 2.25 ATOM 701 O ARG 44 -36.289 -4.354 -21.882 1.00 14.32 ATOM 702 N ALA 45 -34.199 -3.546 -22.079 1.00 11.52 ATOM 703 HN ALA 45 -33.602 -2.924 -22.533 1.00 37.16 ATOM 704 CA ALA 45 -33.634 -4.463 -21.097 1.00 73.11 ATOM 705 HA ALA 45 -34.428 -5.079 -20.687 1.00 71.40 ATOM 706 CB ALA 45 -32.635 -5.398 -21.762 1.00 41.12 ATOM 707 HB1 ALA 45 -31.647 -4.962 -21.775 1.00 11.41 ATOM 708 HB2 ALA 45 -32.946 -5.603 -22.777 1.00 44.52 ATOM 709 HB3 ALA 45 -32.603 -6.326 -21.211 1.00 23.44 ATOM 710 C ALA 45 -32.971 -3.703 -19.954 1.00 23.35 ATOM 711 O ALA 45 -32.258 -2.725 -20.177 1.00 2.20 ATOM 712 N ASP 46 -33.210 -4.159 -18.729 1.00 73.20 ATOM 713 HN ASP 46 -33.763 -4.969 -18.622 1.00 37.16 ATOM 714 CA ASP 46 -32.635 -3.522 -17.550 1.00 33.31 ATOM 715 HA ASP 46 -32.898 -2.471 -17.573 1.00 32.34 ATOM 716 CB ASP 46 -33.216 -4.139 -16.276 1.00 70.25 ATOM 717 HB1 ASP 46 -32.932 -3.538 -15.425 1.00 37.16 ATOM 718 HB2 ASP 46 -32.828 -5.141 -16.155 1.00 72.14 ATOM 719 CG ASP 46 -34.728 -4.235 -16.317 1.00 75.34 ATOM 720 OD1 ASP 46 -35.396 -3.250 -15.939 1.00 54.01 ATOM 721 OD2 ASP 46 -35.244 -5.295 -16.729 1.00 32.45 ATOM 722 C ASP 46 -31.116 -3.655 -17.547 1.00 64.31 ATOM 723 O ASP 46 -30.569 -4.630 -17.031 1.00 0.51 ATOM 724 N ALA 47 -30.439 -2.670 -18.128 1.00 54.30 ATOM 725 HN ALA 47 -30.936 -1.913 -18.524 1.00 37.16 ATOM 726 CA ALA 47 -28.983 -2.676 -18.192 1.00 32.24 ATOM 727 HA ALA 47 -28.672 -3.566 -18.724 1.00 13.23 ATOM 728 CB ALA 47 -28.483 -1.467 -18.968 1.00 14.44 ATOM 729 HB1 ALA 47 -28.280 -0.637 -18.302 1.00 71.43 ATOM 730 HB2 ALA 47 -29.225 -1.166 -19.696 1.00 21.11 ATOM 731 HB3 ALA 47 -27.588 -1.746 -19.481 1.00 50.14 ATOM 732 C ALA 47 -28.373 -2.700 -16.794 1.00 42.24 ATOM 733 O ALA 47 -27.563 -3.571 -16.475 1.00 53.44 ATOM 734 N TRP 48 -28.765 -1.739 -15.966 1.00 53.43 ATOM 735 HN TRP 48 -29.415 -1.066 -16.282 1.00 37.16 ATOM 736 CA TRP 48 -28.255 -1.649 -14.603 1.00 34.43 ATOM 737 HA TRP 48 -27.199 -1.419 -14.664 1.00 65.02 ATOM 738 CB TRP 48 -28.973 -0.535 -13.840 1.00 12.21 ATOM 739 HB1 TRP 48 -29.953 -0.875 -13.526 1.00 37.16 ATOM 740 HB2 TRP 48 -29.093 0.317 -14.496 1.00 32.41 ATOM 741 CG TRP 48 -28.224 -0.066 -12.630 1.00 1.44 ATOM 742 CD1 TRP 48 -27.041 0.616 -12.611 1.00 42.35 ATOM 743 HD1 TRP 48 -26.491 0.905 -13.495 1.00 4.53 ATOM 744 CD2 TRP 48 -28.607 -0.246 -11.262 1.00 5.43 ATOM 745 NE1 TRP 48 -26.665 0.871 -11.315 1.00 1.14 ATOM 746 HE1 TRP 48 -25.859 1.351 -11.043 1.00 60.11 ATOM 747 CE2 TRP 48 -27.609 0.353 -10.468 1.00 1.42 ATOM 748 CE3 TRP 48 -29.695 -0.852 -10.630 1.00 75.43 ATOM 749 HE3 TRP 48 -30.481 -1.323 -11.202 1.00 43.13 ATOM 750 CZ2 TRP 48 -27.670 0.361 -9.077 1.00 24.42 ATOM 751 HZ2 TRP 48 -26.902 0.823 -8.474 1.00 4.44 ATOM 752 CZ3 TRP 48 -29.754 -0.845 -9.250 1.00 10.33 ATOM 753 HZ3 TRP 48 -30.588 -1.310 -8.746 1.00 61.31 ATOM 754 CH2 TRP 48 -28.747 -0.241 -8.485 1.00 41.11 ATOM 755 HH2 TRP 48 -28.833 -0.260 -7.409 1.00 3.12 ATOM 756 C TRP 48 -28.426 -2.975 -13.870 1.00 31.51 ATOM 757 O TRP 48 -27.475 -3.503 -13.294 1.00 44.25 ATOM 758 N GLN 49 -29.643 -3.509 -13.896 1.00 13.54 ATOM 759 HN GLN 49 -30.366 -3.038 -14.376 1.00 37.16 ATOM 760 CA GLN 49 -29.937 -4.773 -13.232 1.00 61.54 ATOM 761 HA GLN 49 -29.729 -4.649 -12.200 1.00 14.34 ATOM 762 CB GLN 49 -31.415 -5.129 -13.398 1.00 74.30 ATOM 763 HB1 GLN 49 -31.638 -5.140 -14.443 1.00 37.16 ATOM 764 HB2 GLN 49 -32.020 -4.377 -12.917 1.00 42.21 ATOM 765 CG GLN 49 -31.781 -6.490 -12.828 1.00 33.04 ATOM 766 HG1 GLN 49 -31.398 -7.261 -13.480 1.00 37.16 ATOM 767 HG2 GLN 49 -32.857 -6.565 -12.782 1.00 14.11 ATOM 768 CD GLN 49 -31.225 -6.708 -11.434 1.00 42.53 ATOM 769 OE1 GLN 49 -30.665 -7.763 -11.135 1.00 1.53 ATOM 770 NE2 GLN 49 -31.376 -5.708 -10.573 1.00 41.15 ATOM 771 HE21 GLN 49 -31.830 -4.884 -10.852 1.00 35.21 ATOM 772 HE22 GLN 49 -31.035 -5.841 -9.671 1.00 5.30 ATOM 773 C GLN 49 -29.066 -5.895 -13.789 1.00 73.03 ATOM 774 O GLN 49 -28.489 -6.677 -13.035 1.00 30.31 ATOM 775 N GLN 50 -28.978 -5.967 -15.114 1.00 4.45 ATOM 776 HN GLN 50 -29.469 -5.314 -15.669 1.00 37.16 ATOM 777 CA GLN 50 -28.178 -6.994 -15.771 1.00 0.43 ATOM 778 HA GLN 50 -28.518 -7.962 -15.421 1.00 73.51 ATOM 779 CB GLN 50 -28.357 -6.916 -17.288 1.00 30.22 ATOM 780 HB1 GLN 50 -27.504 -7.371 -17.773 1.00 37.16 ATOM 781 HB2 GLN 50 -28.408 -5.878 -17.580 1.00 31.22 ATOM 782 CG GLN 50 -29.604 -7.625 -17.790 1.00 73.42 ATOM 783 HG1 GLN 50 -30.468 -7.202 -17.297 1.00 37.16 ATOM 784 HG2 GLN 50 -29.529 -8.674 -17.545 1.00 53.22 ATOM 785 CD GLN 50 -29.789 -7.490 -19.289 1.00 10.12 ATOM 786 OE1 GLN 50 -29.892 -8.486 -20.006 1.00 4.42 ATOM 787 NE2 GLN 50 -29.833 -6.253 -19.771 1.00 23.33 ATOM 788 HE21 GLN 50 -29.752 -5.491 -19.157 1.00 1.20 ATOM 789 HE22 GLN 50 -29.947 -6.148 -20.739 1.00 34.44 ATOM 790 C GLN 50 -26.703 -6.847 -15.413 1.00 3.13 ATOM 791 O GLN 50 -25.967 -7.833 -15.352 1.00 3.31 ATOM 792 N LEU 51 -26.276 -5.611 -15.177 1.00 75.00 ATOM 793 HN LEU 51 -26.903 -4.854 -15.248 1.00 37.16 ATOM 794 CA LEU 51 -24.888 -5.335 -14.825 1.00 40.31 ATOM 795 HA LEU 51 -24.259 -5.904 -15.495 1.00 63.15 ATOM 796 CB LEU 51 -24.584 -3.845 -14.998 1.00 32.44 ATOM 797 HB1 LEU 51 -25.276 -3.286 -14.385 1.00 37.16 ATOM 798 HB2 LEU 51 -24.770 -3.592 -16.034 1.00 45.40 ATOM 799 CG LEU 51 -23.164 -3.404 -14.642 1.00 21.51 ATOM 800 HG LEU 51 -23.008 -3.525 -13.581 1.00 45.24 ATOM 801 CD1 LEU 51 -22.141 -4.267 -15.364 1.00 64.02 ATOM 802 HD11 LEU 51 -21.161 -3.985 -15.032 1.00 74.44 ATOM 803 HD12 LEU 51 -22.224 -4.126 -16.430 1.00 11.54 ATOM 804 HD13 LEU 51 -22.293 -5.309 -15.127 1.00 30.21 ATOM 805 CD2 LEU 51 -22.961 -1.935 -14.982 1.00 22.21 ATOM 806 HD21 LEU 51 -23.772 -1.346 -14.591 1.00 31.33 ATOM 807 HD22 LEU 51 -22.923 -1.810 -16.056 1.00 42.15 ATOM 808 HD23 LEU 51 -22.031 -1.594 -14.550 1.00 11.40 ATOM 809 C LEU 51 -24.594 -5.762 -13.391 1.00 32.52 ATOM 810 O LEU 51 -23.660 -6.524 -13.137 1.00 54.31 ATOM 811 N LYS 52 -25.399 -5.270 -12.455 1.00 41.44 ATOM 812 HN LYS 52 -26.112 -4.647 -12.724 1.00 37.16 ATOM 813 CA LYS 52 -25.229 -5.603 -11.046 1.00 42.41 ATOM 814 HA LYS 52 -24.215 -5.364 -10.762 1.00 2.25 ATOM 815 CB LYS 52 -26.193 -4.782 -10.187 1.00 1.52 ATOM 816 HB1 LYS 52 -25.972 -3.739 -10.341 1.00 37.16 ATOM 817 HB2 LYS 52 -26.039 -5.024 -9.144 1.00 62.01 ATOM 818 CG LYS 52 -27.656 -5.012 -10.525 1.00 3.32 ATOM 819 HG1 LYS 52 -27.968 -5.964 -10.126 1.00 37.16 ATOM 820 HG2 LYS 52 -27.770 -5.021 -11.580 1.00 21.45 ATOM 821 CD LYS 52 -28.538 -3.912 -9.959 1.00 15.01 ATOM 822 HD1 LYS 52 -29.553 -4.069 -10.265 1.00 37.16 ATOM 823 HD2 LYS 52 -28.189 -2.967 -10.337 1.00 4.35 ATOM 824 CE LYS 52 -28.482 -3.878 -8.439 1.00 63.24 ATOM 825 HE1 LYS 52 -29.217 -3.179 -8.078 1.00 37.16 ATOM 826 HE2 LYS 52 -27.500 -3.556 -8.128 1.00 3.50 ATOM 827 NZ LYS 52 -28.767 -5.213 -7.844 1.00 1.12 ATOM 828 HZ1 LYS 52 -29.598 -5.649 -8.284 1.00 11.33 ATOM 829 HZ2 LYS 52 -28.954 -5.109 -6.827 1.00 24.15 ATOM 830 HZ3 LYS 52 -27.949 -5.845 -7.962 1.00 74.23 ATOM 831 C LYS 52 -25.460 -7.091 -10.807 1.00 70.30 ATOM 832 O LYS 52 -24.821 -7.698 -9.947 1.00 60.14 ATOM 833 N ASP 53 -26.376 -7.674 -11.573 1.00 44.54 ATOM 834 HN ASP 53 -26.868 -7.140 -12.239 1.00 37.16 ATOM 835 CA ASP 53 -26.689 -9.092 -11.446 1.00 70.15 ATOM 836 HA ASP 53 -26.863 -9.306 -10.397 1.00 12.54 ATOM 837 CB ASP 53 -27.955 -9.429 -12.236 1.00 21.20 ATOM 838 HB1 ASP 53 -27.764 -9.326 -13.296 1.00 37.16 ATOM 839 HB2 ASP 53 -28.730 -8.749 -11.949 1.00 44.32 ATOM 840 CG ASP 53 -28.449 -10.836 -11.964 1.00 70.54 ATOM 841 OD1 ASP 53 -28.952 -11.084 -10.848 1.00 61.01 ATOM 842 OD2 ASP 53 -28.334 -11.690 -12.868 1.00 62.13 ATOM 843 C ASP 53 -25.527 -9.951 -11.934 1.00 64.22 ATOM 844 O ASP 53 -25.296 -11.047 -11.424 1.00 2.32 ATOM 845 N GLU 54 -24.799 -9.446 -12.926 1.00 11.15 ATOM 846 HN GLU 54 -25.030 -8.566 -13.305 1.00 37.16 ATOM 847 CA GLU 54 -23.662 -10.169 -13.483 1.00 1.21 ATOM 848 HA GLU 54 -23.929 -11.213 -13.554 1.00 64.41 ATOM 849 CB GLU 54 -23.313 -9.624 -14.870 1.00 32.53 ATOM 850 HB1 GLU 54 -22.272 -9.829 -15.090 1.00 37.16 ATOM 851 HB2 GLU 54 -23.464 -8.554 -14.880 1.00 20.35 ATOM 852 CG GLU 54 -24.145 -10.229 -15.988 1.00 34.31 ATOM 853 HG1 GLU 54 -23.781 -9.856 -16.934 1.00 37.16 ATOM 854 HG2 GLU 54 -25.172 -9.937 -15.858 1.00 72.45 ATOM 855 CD GLU 54 -24.082 -11.744 -16.008 1.00 71.23 ATOM 856 OE1 GLU 54 -25.096 -12.386 -15.663 1.00 10.34 ATOM 857 OE2 GLU 54 -23.018 -12.288 -16.371 1.00 23.04 ATOM 858 C GLU 54 -22.448 -10.065 -12.564 1.00 31.41 ATOM 859 O GLU 54 -21.772 -11.059 -12.295 1.00 34.54 ATOM 860 N LEU 55 -22.177 -8.856 -12.086 1.00 2.00 ATOM 861 HN LEU 55 -22.752 -8.094 -12.338 1.00 37.16 ATOM 862 CA LEU 55 -21.044 -8.621 -11.197 1.00 51.12 ATOM 863 HA LEU 55 -20.169 -9.051 -11.643 1.00 74.54 ATOM 864 CB LEU 55 -20.826 -7.119 -11.004 1.00 23.35 ATOM 865 HB1 LEU 55 -20.041 -6.982 -10.270 1.00 37.16 ATOM 866 HB2 LEU 55 -21.740 -6.698 -10.607 1.00 53.25 ATOM 867 CG LEU 55 -20.445 -6.329 -12.256 1.00 72.32 ATOM 868 HG LEU 55 -21.261 -6.364 -12.959 1.00 23.22 ATOM 869 CD1 LEU 55 -20.188 -4.871 -11.910 1.00 53.10 ATOM 870 HD11 LEU 55 -21.046 -4.457 -11.397 1.00 11.30 ATOM 871 HD12 LEU 55 -20.011 -4.311 -12.818 1.00 3.41 ATOM 872 HD13 LEU 55 -19.321 -4.804 -11.274 1.00 20.41 ATOM 873 CD2 LEU 55 -19.224 -6.944 -12.924 1.00 22.01 ATOM 874 HD21 LEU 55 -18.415 -7.024 -12.210 1.00 42.40 ATOM 875 HD22 LEU 55 -18.909 -6.320 -13.751 1.00 22.01 ATOM 876 HD23 LEU 55 -19.469 -7.924 -13.302 1.00 13.33 ATOM 877 C LEU 55 -21.264 -9.293 -9.846 1.00 2.13 ATOM 878 O LEU 55 -20.363 -9.936 -9.308 1.00 62.04 ATOM 879 N GLU 56 -22.468 -9.140 -9.303 1.00 61.44 ATOM 880 HN GLU 56 -23.148 -8.603 -9.775 1.00 37.16 ATOM 881 CA GLU 56 -22.806 -9.734 -8.015 1.00 65.11 ATOM 882 HA GLU 56 -22.152 -9.304 -7.266 1.00 72.32 ATOM 883 CB GLU 56 -24.260 -9.426 -7.652 1.00 23.30 ATOM 884 HB1 GLU 56 -24.602 -10.158 -6.929 1.00 37.16 ATOM 885 HB2 GLU 56 -24.869 -9.522 -8.537 1.00 1.23 ATOM 886 CG GLU 56 -24.461 -8.036 -7.073 1.00 53.01 ATOM 887 HG1 GLU 56 -25.209 -7.524 -7.657 1.00 37.16 ATOM 888 HG2 GLU 56 -23.535 -7.477 -7.115 1.00 41.41 ATOM 889 CD GLU 56 -24.939 -8.067 -5.634 1.00 51.33 ATOM 890 OE1 GLU 56 -25.834 -8.881 -5.324 1.00 65.42 ATOM 891 OE2 GLU 56 -24.419 -7.277 -4.819 1.00 54.40 ATOM 892 C GLU 56 -22.584 -11.244 -8.037 1.00 1.20 ATOM 893 O GLU 56 -22.358 -11.864 -6.998 1.00 51.32 ATOM 894 N ALA 57 -22.651 -11.828 -9.229 1.00 21.55 ATOM 895 HN ALA 57 -22.886 -11.302 -10.025 1.00 37.16 ATOM 896 CA ALA 57 -22.456 -13.264 -9.387 1.00 34.41 ATOM 897 HA ALA 57 -23.000 -13.774 -8.600 1.00 0.12 ATOM 898 CB ALA 57 -23.024 -13.730 -10.720 1.00 21.04 ATOM 899 HB1 ALA 57 -24.057 -13.424 -10.795 1.00 23.25 ATOM 900 HB2 ALA 57 -22.965 -14.807 -10.782 1.00 40.45 ATOM 901 HB3 ALA 57 -22.462 -13.292 -11.532 1.00 1.14 ATOM 902 C ALA 57 -20.981 -13.633 -9.280 1.00 63.53 ATOM 903 O ALA 57 -20.630 -14.687 -8.747 1.00 51.44 ATOM 904 N LYS 58 -20.119 -12.761 -9.791 1.00 1.40 ATOM 905 HN LYS 58 -20.453 -11.936 -10.216 1.00 37.16 ATOM 906 CA LYS 58 -18.680 -12.994 -9.753 1.00 50.41 ATOM 907 HA LYS 58 -18.495 -14.009 -10.090 1.00 75.31 ATOM 908 CB LYS 58 -17.962 -12.032 -10.702 1.00 43.41 ATOM 909 HB1 LYS 58 -16.914 -12.238 -10.651 1.00 37.16 ATOM 910 HB2 LYS 58 -18.140 -11.017 -10.372 1.00 34.05 ATOM 911 CG LYS 58 -18.388 -12.176 -12.153 1.00 33.34 ATOM 912 HG1 LYS 58 -19.419 -12.510 -12.198 1.00 37.16 ATOM 913 HG2 LYS 58 -17.754 -12.911 -12.627 1.00 3.52 ATOM 914 CD LYS 58 -18.256 -10.864 -12.906 1.00 43.35 ATOM 915 HD1 LYS 58 -17.231 -10.747 -13.215 1.00 37.16 ATOM 916 HD2 LYS 58 -18.532 -10.041 -12.268 1.00 35.04 ATOM 917 CE LYS 58 -19.141 -10.839 -14.143 1.00 63.43 ATOM 918 HE1 LYS 58 -19.257 -9.813 -14.461 1.00 37.16 ATOM 919 HE2 LYS 58 -20.109 -11.248 -13.908 1.00 74.41 ATOM 920 NZ LYS 58 -18.550 -11.623 -15.263 1.00 71.14 ATOM 921 HZ1 LYS 58 -17.528 -11.771 -15.130 1.00 20.11 ATOM 922 HZ2 LYS 58 -18.696 -11.120 -16.161 1.00 4.01 ATOM 923 HZ3 LYS 58 -19.015 -12.552 -15.326 1.00 32.30 ATOM 924 C LYS 58 -18.139 -12.826 -8.337 1.00 22.21 ATOM 925 O LYS 58 -18.368 -11.803 -7.691 1.00 31.22 ATOM 926 N HIS 59 -17.418 -13.836 -7.860 1.00 72.52 ATOM 927 HN HIS 59 -17.253 -14.626 -8.429 1.00 37.16 ATOM 928 CA HIS 59 -16.842 -13.800 -6.521 1.00 13.44 ATOM 929 HA HIS 59 -17.526 -13.273 -5.864 1.00 3.33 ATOM 930 CB HIS 59 -16.648 -15.219 -5.987 1.00 32.12 ATOM 931 HB1 HIS 59 -16.143 -15.178 -5.030 1.00 37.16 ATOM 932 HB2 HIS 59 -16.041 -15.778 -6.683 1.00 71.33 ATOM 933 CG HIS 59 -17.932 -15.966 -5.790 1.00 4.54 ATOM 934 ND1 HIS 59 -18.203 -17.171 -6.401 1.00 63.24 ATOM 935 HD1 HIS 59 -17.604 -17.651 -7.010 1.00 45.43 ATOM 936 CD2 HIS 59 -19.021 -15.672 -5.042 1.00 2.44 ATOM 937 HD2 HIS 59 -19.156 -14.795 -4.424 1.00 74.33 ATOM 938 CE1 HIS 59 -19.404 -17.586 -6.040 1.00 2.33 ATOM 939 HE1 HIS 59 -19.881 -18.499 -6.364 1.00 24.41 ATOM 940 NE2 HIS 59 -19.921 -16.694 -5.214 1.00 53.23 ATOM 941 HE2 HIS 59 -20.838 -16.709 -4.868 1.00 37.16 ATOM 942 C HIS 59 -15.509 -13.057 -6.523 1.00 33.44 ATOM 943 O HIS 59 -15.004 -12.667 -5.470 1.00 62.41 ATOM 944 N TRP 60 -14.946 -12.867 -7.710 1.00 1.10 ATOM 945 HN TRP 60 -15.394 -13.184 -8.511 1.00 37.16 ATOM 946 CA TRP 60 -13.671 -12.172 -7.848 1.00 61.21 ATOM 947 HA TRP 60 -13.119 -12.258 -6.919 1.00 41.33 ATOM 948 CB TRP 60 -12.837 -12.811 -8.960 1.00 5.33 ATOM 949 HB1 TRP 60 -12.825 -13.882 -8.820 1.00 37.16 ATOM 950 HB2 TRP 60 -11.825 -12.436 -8.901 1.00 0.43 ATOM 951 CG TRP 60 -13.364 -12.530 -10.334 1.00 74.52 ATOM 952 CD1 TRP 60 -14.473 -13.078 -10.914 1.00 31.22 ATOM 953 HD1 TRP 60 -15.116 -13.803 -10.441 1.00 22.15 ATOM 954 CD2 TRP 60 -12.804 -11.636 -11.301 1.00 50.24 ATOM 955 NE1 TRP 60 -14.636 -12.578 -12.183 1.00 43.21 ATOM 956 HE1 TRP 60 -15.359 -12.817 -12.800 1.00 52.22 ATOM 957 CE2 TRP 60 -13.625 -11.690 -12.444 1.00 75.55 ATOM 958 CE3 TRP 60 -11.690 -10.792 -11.312 1.00 61.45 ATOM 959 HE3 TRP 60 -11.035 -10.721 -10.456 1.00 23.32 ATOM 960 CZ2 TRP 60 -13.365 -10.935 -13.585 1.00 12.14 ATOM 961 HZ2 TRP 60 -13.990 -10.990 -14.452 1.00 14.32 ATOM 962 CZ3 TRP 60 -11.433 -10.043 -12.445 1.00 22.41 ATOM 963 HZ3 TRP 60 -10.601 -9.398 -12.465 1.00 61.31 ATOM 964 CH2 TRP 60 -12.268 -10.118 -13.568 1.00 4.21 ATOM 965 HH2 TRP 60 -12.035 -9.512 -14.403 1.00 74.13 ATOM 966 C TRP 60 -13.887 -10.692 -8.144 1.00 24.12 ATOM 967 O TRP 60 -13.011 -10.027 -8.698 1.00 54.25 ATOM 968 N ILE 61 -15.056 -10.183 -7.770 1.00 43.15 ATOM 969 HN ILE 61 -15.722 -10.729 -7.320 1.00 37.16 ATOM 970 CA ILE 61 -15.384 -8.781 -7.995 1.00 53.32 ATOM 971 HA ILE 61 -14.586 -8.320 -8.572 1.00 62.22 ATOM 972 CB ILE 61 -16.694 -8.630 -8.791 1.00 13.00 ATOM 973 HB ILE 61 -17.348 -9.452 -8.538 1.00 5.05 ATOM 974 CG1 ILE 61 -16.410 -8.664 -10.294 1.00 52.30 ATOM 975 HG11 ILE 61 -15.854 -7.779 -10.575 1.00 37.16 ATOM 976 HG12 ILE 61 -17.346 -8.680 -10.832 1.00 24.22 ATOM 977 CG2 ILE 61 -17.401 -7.338 -8.409 1.00 4.13 ATOM 978 HG21 ILE 61 -16.711 -6.503 -8.439 1.00 54.22 ATOM 979 HG22 ILE 61 -17.838 -7.423 -7.425 1.00 3.24 ATOM 980 HG23 ILE 61 -18.198 -7.152 -9.115 1.00 40.04 ATOM 981 CD1 ILE 61 -15.607 -9.869 -10.730 1.00 51.03 ATOM 982 HD11 ILE 61 -14.557 -9.622 -10.685 1.00 61.03 ATOM 983 HD12 ILE 61 -15.865 -10.128 -11.741 1.00 63.22 ATOM 984 HD13 ILE 61 -15.799 -10.704 -10.086 1.00 41.04 ATOM 985 C ILE 61 -15.515 -8.028 -6.675 1.00 71.32 ATOM 986 O ILE 61 -16.316 -8.396 -5.816 1.00 64.31 ATOM 987 N ALA 62 -14.724 -6.971 -6.522 1.00 71.40 ATOM 988 HN ALA 62 -14.107 -6.717 -7.250 1.00 37.16 ATOM 989 CA ALA 62 -14.754 -6.164 -5.309 1.00 30.44 ATOM 990 HA ALA 62 -14.729 -6.833 -4.455 1.00 53.23 ATOM 991 CB ALA 62 -13.521 -5.276 -5.235 1.00 51.22 ATOM 992 HB1 ALA 62 -13.523 -4.730 -4.302 1.00 53.14 ATOM 993 HB2 ALA 62 -13.516 -4.581 -6.057 1.00 22.30 ATOM 994 HB3 ALA 62 -12.635 -5.892 -5.284 1.00 74.13 ATOM 995 C ALA 62 -16.022 -5.320 -5.242 1.00 41.21 ATOM 996 O ALA 62 -16.573 -4.930 -6.271 1.00 20.10 ATOM 997 N GLU 63 -16.479 -5.042 -4.025 1.00 52.42 ATOM 998 HN GLU 63 -15.991 -5.384 -3.237 1.00 37.16 ATOM 999 CA GLU 63 -17.684 -4.244 -3.826 1.00 63.24 ATOM 1000 HA GLU 63 -18.511 -4.768 -4.282 1.00 41.14 ATOM 1001 CB GLU 63 -17.972 -4.079 -2.333 1.00 3.43 ATOM 1002 HB1 GLU 63 -17.112 -3.629 -1.858 1.00 37.16 ATOM 1003 HB2 GLU 63 -18.134 -5.060 -1.906 1.00 30.45 ATOM 1004 CG GLU 63 -19.187 -3.216 -2.039 1.00 53.43 ATOM 1005 HG1 GLU 63 -20.023 -3.572 -2.626 1.00 37.16 ATOM 1006 HG2 GLU 63 -18.967 -2.194 -2.310 1.00 42.35 ATOM 1007 CD GLU 63 -19.580 -3.240 -0.575 1.00 13.01 ATOM 1008 OE1 GLU 63 -18.758 -2.821 0.266 1.00 2.14 ATOM 1009 OE2 GLU 63 -20.709 -3.678 -0.270 1.00 52.12 ATOM 1010 C GLU 63 -17.544 -2.874 -4.483 1.00 43.04 ATOM 1011 O GLU 63 -18.323 -2.515 -5.366 1.00 3.54 ATOM 1012 N ALA 64 -16.545 -2.114 -4.046 1.00 13.31 ATOM 1013 HN ALA 64 -15.953 -2.458 -3.334 1.00 37.16 ATOM 1014 CA ALA 64 -16.302 -0.784 -4.592 1.00 23.34 ATOM 1015 HA ALA 64 -17.139 -0.154 -4.326 1.00 71.40 ATOM 1016 CB ALA 64 -15.046 -0.184 -3.978 1.00 3.24 ATOM 1017 HB1 ALA 64 -15.150 -0.161 -2.903 1.00 55.12 ATOM 1018 HB2 ALA 64 -14.906 0.823 -4.345 1.00 73.45 ATOM 1019 HB3 ALA 64 -14.188 -0.787 -4.242 1.00 42.33 ATOM 1020 C ALA 64 -16.181 -0.828 -6.111 1.00 70.21 ATOM 1021 O ALA 64 -16.451 0.160 -6.794 1.00 12.24 ATOM 1022 N ASP 65 -15.773 -1.979 -6.634 1.00 72.03 ATOM 1023 HN ASP 65 -15.512 -2.720 -6.046 1.00 37.16 ATOM 1024 CA ASP 65 -15.617 -2.152 -8.074 1.00 0.30 ATOM 1025 HA ASP 65 -15.101 -1.282 -8.462 1.00 74.44 ATOM 1026 CB ASP 65 -14.803 -3.411 -8.373 1.00 24.43 ATOM 1027 HB1 ASP 65 -15.212 -3.920 -9.238 1.00 37.16 ATOM 1028 HB2 ASP 65 -14.837 -4.080 -7.537 1.00 20.24 ATOM 1029 CG ASP 65 -13.349 -3.103 -8.673 1.00 60.34 ATOM 1030 OD1 ASP 65 -12.472 -3.841 -8.178 1.00 1.00 ATOM 1031 OD2 ASP 65 -13.088 -2.124 -9.403 1.00 54.24 ATOM 1032 C ASP 65 -16.976 -2.235 -8.762 1.00 10.51 ATOM 1033 O ASP 65 -17.242 -1.512 -9.722 1.00 44.44 ATOM 1034 N ARG 66 -17.832 -3.121 -8.265 1.00 32.03 ATOM 1035 HN ARG 66 -17.564 -3.668 -7.487 1.00 37.16 ATOM 1036 CA ARG 66 -19.163 -3.300 -8.833 1.00 1.01 ATOM 1037 HA ARG 66 -19.059 -3.413 -9.890 1.00 14.43 ATOM 1038 CB ARG 66 -19.817 -4.562 -8.267 1.00 10.42 ATOM 1039 HB1 ARG 66 -19.119 -5.370 -8.329 1.00 37.16 ATOM 1040 HB2 ARG 66 -20.682 -4.799 -8.871 1.00 41.02 ATOM 1041 CG ARG 66 -20.259 -4.421 -6.819 1.00 60.43 ATOM 1042 HG1 ARG 66 -20.873 -3.545 -6.699 1.00 37.16 ATOM 1043 HG2 ARG 66 -19.389 -4.344 -6.201 1.00 12.11 ATOM 1044 CD ARG 66 -21.062 -5.629 -6.362 1.00 61.34 ATOM 1045 HD1 ARG 66 -20.370 -6.355 -5.960 1.00 37.16 ATOM 1046 HD2 ARG 66 -21.582 -6.075 -7.202 1.00 65.12 ATOM 1047 NE ARG 66 -22.022 -5.285 -5.317 1.00 42.10 ATOM 1048 HE ARG 66 -21.763 -5.472 -4.388 1.00 44.30 ATOM 1049 CZ ARG 66 -23.209 -4.740 -5.560 1.00 21.53 ATOM 1050 NH1 ARG 66 -23.580 -4.480 -6.806 1.00 34.35 ATOM 1051 HH11 ARG 66 -22.988 -4.679 -7.582 1.00 12.14 ATOM 1052 HH12 ARG 66 -24.480 -4.072 -6.978 1.00 34.54 ATOM 1053 NH2 ARG 66 -24.027 -4.456 -4.555 1.00 14.31 ATOM 1054 HH21 ARG 66 -23.752 -4.651 -3.611 1.00 41.44 ATOM 1055 HH22 ARG 66 -24.923 -4.045 -4.735 1.00 54.14 ATOM 1056 C ARG 66 -20.043 -2.086 -8.549 1.00 31.42 ATOM 1057 O ARG 66 -20.912 -1.737 -9.348 1.00 51.12 ATOM 1058 N ILE 67 -19.812 -1.449 -7.406 1.00 31.10 ATOM 1059 HN ILE 67 -19.111 -1.773 -6.798 1.00 37.16 ATOM 1060 CA ILE 67 -20.583 -0.275 -7.017 1.00 55.03 ATOM 1061 HA ILE 67 -21.628 -0.467 -7.215 1.00 12.12 ATOM 1062 CB ILE 67 -20.408 0.044 -5.521 1.00 30.33 ATOM 1063 HB ILE 67 -19.352 0.131 -5.315 1.00 70.13 ATOM 1064 CG1 ILE 67 -20.994 -1.081 -4.665 1.00 71.32 ATOM 1065 HG11 ILE 67 -20.840 -0.853 -3.619 1.00 37.16 ATOM 1066 HG12 ILE 67 -20.501 -2.007 -4.900 1.00 12.32 ATOM 1067 CG2 ILE 67 -21.067 1.373 -5.181 1.00 64.55 ATOM 1068 HG21 ILE 67 -22.056 1.421 -5.618 1.00 22.05 ATOM 1069 HG22 ILE 67 -20.466 2.187 -5.557 1.00 62.15 ATOM 1070 HG23 ILE 67 -21.151 1.475 -4.106 1.00 52.02 ATOM 1071 CD1 ILE 67 -22.476 -1.295 -4.880 1.00 51.52 ATOM 1072 HD11 ILE 67 -22.836 -2.010 -4.155 1.00 41.32 ATOM 1073 HD12 ILE 67 -22.650 -1.684 -5.870 1.00 42.11 ATOM 1074 HD13 ILE 67 -23.013 -0.367 -4.756 1.00 32.33 ATOM 1075 C ILE 67 -20.177 0.945 -7.836 1.00 55.45 ATOM 1076 O ILE 67 -21.024 1.734 -8.255 1.00 62.24 ATOM 1077 N ASN 68 -18.876 1.093 -8.062 1.00 51.44 ATOM 1078 HN ASN 68 -18.240 0.433 -7.696 1.00 37.16 ATOM 1079 CA ASN 68 -18.357 2.217 -8.833 1.00 51.52 ATOM 1080 HA ASN 68 -18.772 3.130 -8.425 1.00 23.04 ATOM 1081 CB ASN 68 -16.833 2.280 -8.719 1.00 43.50 ATOM 1082 HB1 ASN 68 -16.432 1.281 -8.799 1.00 37.16 ATOM 1083 HB2 ASN 68 -16.566 2.696 -7.759 1.00 43.22 ATOM 1084 CG ASN 68 -16.207 3.136 -9.804 1.00 25.34 ATOM 1085 OD1 ASN 68 -16.267 4.364 -9.753 1.00 43.31 ATOM 1086 ND2 ASN 68 -15.601 2.488 -10.792 1.00 73.32 ATOM 1087 HD21 ASN 68 -15.594 1.504 -10.788 1.00 24.11 ATOM 1088 HD22 ASN 68 -15.148 3.019 -11.472 1.00 75.03 ATOM 1089 C ASN 68 -18.764 2.106 -10.299 1.00 73.12 ATOM 1090 O ASN 68 -19.318 3.043 -10.874 1.00 42.31 ATOM 1091 N VAL 69 -18.487 0.952 -10.899 1.00 3.52 ATOM 1092 HN VAL 69 -18.030 0.247 -10.385 1.00 37.16 ATOM 1093 CA VAL 69 -18.825 0.717 -12.297 1.00 73.22 ATOM 1094 HA VAL 69 -18.279 1.418 -12.896 1.00 65.03 ATOM 1095 CB VAL 69 -18.429 -0.704 -12.739 1.00 21.51 ATOM 1096 HB VAL 69 -18.723 -0.843 -13.771 1.00 14.21 ATOM 1097 CG1 VAL 69 -16.921 -0.889 -12.656 1.00 53.41 ATOM 1098 HG11 VAL 69 -16.452 -0.290 -13.424 1.00 43.44 ATOM 1099 HG12 VAL 69 -16.666 -1.928 -12.817 1.00 14.52 ATOM 1100 HG13 VAL 69 -16.552 -0.576 -11.695 1.00 3.34 ATOM 1101 CG2 VAL 69 -19.149 -1.745 -11.894 1.00 5.32 ATOM 1102 HG21 VAL 69 -20.162 -1.852 -12.250 1.00 50.14 ATOM 1103 HG22 VAL 69 -19.168 -1.442 -10.878 1.00 4.15 ATOM 1104 HG23 VAL 69 -18.644 -2.696 -11.974 1.00 54.12 ATOM 1105 C VAL 69 -20.317 0.916 -12.543 1.00 3.13 ATOM 1106 O VAL 69 -20.726 1.366 -13.614 1.00 13.13 ATOM 1107 N LEU 70 -21.125 0.579 -11.544 1.00 31.20 ATOM 1108 HN LEU 70 -20.747 0.215 -10.710 1.00 37.16 ATOM 1109 CA LEU 70 -22.573 0.721 -11.650 1.00 51.13 ATOM 1110 HA LEU 70 -22.877 0.393 -12.637 1.00 53.22 ATOM 1111 CB LEU 70 -23.269 -0.147 -10.600 1.00 50.15 ATOM 1112 HB1 LEU 70 -24.239 0.275 -10.377 1.00 37.16 ATOM 1113 HB2 LEU 70 -22.679 -0.097 -9.693 1.00 73.25 ATOM 1114 CG LEU 70 -23.468 -1.617 -10.970 1.00 70.31 ATOM 1115 HG LEU 70 -22.563 -1.997 -11.423 1.00 21.53 ATOM 1116 CD1 LEU 70 -23.748 -2.447 -9.727 1.00 20.12 ATOM 1117 HD11 LEU 70 -23.022 -2.239 -8.961 1.00 24.55 ATOM 1118 HD12 LEU 70 -23.703 -3.491 -9.979 1.00 13.13 ATOM 1119 HD13 LEU 70 -24.735 -2.213 -9.348 1.00 12.43 ATOM 1120 CD2 LEU 70 -24.598 -1.765 -11.978 1.00 74.51 ATOM 1121 HD21 LEU 70 -25.542 -1.526 -11.504 1.00 64.22 ATOM 1122 HD22 LEU 70 -24.628 -2.780 -12.339 1.00 62.25 ATOM 1123 HD23 LEU 70 -24.442 -1.095 -12.804 1.00 30.23 ATOM 1124 C LEU 70 -22.991 2.178 -11.480 1.00 50.12 ATOM 1125 O LEU 70 -23.861 2.672 -12.196 1.00 44.24 ATOM 1126 N ASN 71 -22.364 2.861 -10.528 1.00 44.11 ATOM 1127 HN ASN 71 -21.684 2.410 -9.974 1.00 37.16 ATOM 1128 CA ASN 71 -22.669 4.263 -10.265 1.00 73.40 ATOM 1129 HA ASN 71 -23.719 4.336 -10.012 1.00 44.20 ATOM 1130 CB ASN 71 -21.821 4.781 -9.102 1.00 14.41 ATOM 1131 HB1 ASN 71 -21.735 5.860 -9.161 1.00 37.16 ATOM 1132 HB2 ASN 71 -20.832 4.347 -9.159 1.00 62.22 ATOM 1133 CG ASN 71 -22.420 4.437 -7.752 1.00 0.54 ATOM 1134 OD1 ASN 71 -23.618 4.178 -7.639 1.00 71.43 ATOM 1135 ND2 ASN 71 -21.586 4.435 -6.718 1.00 61.33 ATOM 1136 HD21 ASN 71 -20.638 4.651 -6.867 1.00 72.34 ATOM 1137 HD22 ASN 71 -21.954 4.215 -5.837 1.00 11.12 ATOM 1138 C ASN 71 -22.425 5.115 -11.507 1.00 34.14 ATOM 1139 O ASN 71 -23.292 5.882 -11.924 1.00 73.03 ATOM 1140 N GLN 72 -21.240 4.974 -12.091 1.00 71.32 ATOM 1141 HN GLN 72 -20.580 4.369 -11.681 1.00 37.16 ATOM 1142 CA GLN 72 -20.882 5.731 -13.285 1.00 35.21 ATOM 1143 HA GLN 72 -20.954 6.784 -13.050 1.00 63.20 ATOM 1144 CB GLN 72 -19.444 5.418 -13.701 1.00 74.44 ATOM 1145 HB1 GLN 72 -18.793 5.771 -12.919 1.00 37.16 ATOM 1146 HB2 GLN 72 -19.213 5.954 -14.614 1.00 65.33 ATOM 1147 CG GLN 72 -19.188 3.938 -13.937 1.00 61.14 ATOM 1148 HG1 GLN 72 -19.648 3.649 -14.861 1.00 37.16 ATOM 1149 HG2 GLN 72 -19.612 3.377 -13.142 1.00 41.44 ATOM 1150 CD GLN 72 -17.711 3.605 -14.007 1.00 5.44 ATOM 1151 OE1 GLN 72 -17.249 2.973 -14.957 1.00 24.45 ATOM 1152 NE2 GLN 72 -16.960 4.031 -12.998 1.00 3.54 ATOM 1153 HE21 GLN 72 -17.371 4.517 -12.251 1.00 75.21 ATOM 1154 HE22 GLN 72 -16.001 3.859 -13.056 1.00 62.11 ATOM 1155 C GLN 72 -21.836 5.419 -14.433 1.00 54.23 ATOM 1156 O GLN 72 -22.145 6.287 -15.250 1.00 22.23 ATOM 1157 N ALA 73 -22.300 4.175 -14.490 1.00 20.12 ATOM 1158 HN ALA 73 -22.010 3.514 -13.818 1.00 37.16 ATOM 1159 CA ALA 73 -23.220 3.749 -15.537 1.00 50.32 ATOM 1160 HA ALA 73 -22.797 4.021 -16.496 1.00 73.52 ATOM 1161 CB ALA 73 -23.385 2.237 -15.512 1.00 62.04 ATOM 1162 HB1 ALA 73 -23.859 1.911 -16.426 1.00 43.14 ATOM 1163 HB2 ALA 73 -23.995 1.946 -14.666 1.00 51.12 ATOM 1164 HB3 ALA 73 -22.419 1.772 -15.424 1.00 64.10 ATOM 1165 C ALA 73 -24.575 4.433 -15.389 1.00 42.51 ATOM 1166 O ALA 73 -25.138 4.937 -16.362 1.00 3.54 ATOM 1167 N THR 74 -25.095 4.448 -14.166 1.00 31.53 ATOM 1168 HN THR 74 -24.603 4.020 -13.425 1.00 37.16 ATOM 1169 CA THR 74 -26.385 5.068 -13.891 1.00 2.03 ATOM 1170 HA THR 74 -27.146 4.498 -14.407 1.00 12.21 ATOM 1171 CB THR 74 -26.706 5.052 -12.384 1.00 72.04 ATOM 1172 HB THR 74 -25.939 5.605 -11.858 1.00 61.41 ATOM 1173 OG1 THR 74 -26.721 3.704 -11.901 1.00 3.21 ATOM 1174 HG1 THR 74 -26.536 3.696 -10.958 1.00 75.40 ATOM 1175 CG2 THR 74 -28.051 5.709 -12.111 1.00 22.31 ATOM 1176 HG21 THR 74 -28.778 5.403 -12.853 1.00 52.24 ATOM 1177 HG22 THR 74 -27.936 6.780 -12.135 1.00 42.34 ATOM 1178 HG23 THR 74 -28.397 5.412 -11.132 1.00 75.44 ATOM 1179 C THR 74 -26.420 6.508 -14.391 1.00 31.40 ATOM 1180 O THR 74 -27.419 6.953 -14.955 1.00 1.43 ATOM 1181 N GLU 75 -25.324 7.229 -14.181 1.00 45.24 ATOM 1182 HN GLU 75 -24.554 6.812 -13.729 1.00 37.16 ATOM 1183 CA GLU 75 -25.231 8.619 -14.612 1.00 2.31 ATOM 1184 HA GLU 75 -26.007 9.179 -14.109 1.00 22.22 ATOM 1185 CB GLU 75 -23.871 9.206 -14.226 1.00 54.25 ATOM 1186 HB1 GLU 75 -23.877 10.263 -14.461 1.00 37.16 ATOM 1187 HB2 GLU 75 -23.098 8.720 -14.808 1.00 24.25 ATOM 1188 CG GLU 75 -23.528 9.032 -12.757 1.00 24.43 ATOM 1189 HG1 GLU 75 -23.020 8.092 -12.637 1.00 37.16 ATOM 1190 HG2 GLU 75 -24.436 9.029 -12.168 1.00 75.44 ATOM 1191 CD GLU 75 -22.626 10.133 -12.233 1.00 55.35 ATOM 1192 OE1 GLU 75 -21.493 9.822 -11.813 1.00 24.43 ATOM 1193 OE2 GLU 75 -23.055 11.306 -12.244 1.00 44.14 ATOM 1194 C GLU 75 -25.439 8.737 -16.119 1.00 12.20 ATOM 1195 O GLU 75 -26.268 9.520 -16.583 1.00 50.31 ATOM 1196 N VAL 76 -24.680 7.954 -16.878 1.00 71.45 ATOM 1197 HN VAL 76 -24.054 7.330 -16.443 1.00 37.16 ATOM 1198 CA VAL 76 -24.781 7.969 -18.333 1.00 21.21 ATOM 1199 HA VAL 76 -24.565 8.966 -18.678 1.00 3.01 ATOM 1200 CB VAL 76 -23.771 7.000 -18.976 1.00 22.24 ATOM 1201 HB VAL 76 -23.982 5.999 -18.623 1.00 70.12 ATOM 1202 CG1 VAL 76 -23.912 7.009 -20.490 1.00 64.52 ATOM 1203 HG11 VAL 76 -24.853 6.566 -20.776 1.00 72.20 ATOM 1204 HG12 VAL 76 -23.114 6.439 -20.933 1.00 60.11 ATOM 1205 HG13 VAL 76 -23.868 8.025 -20.857 1.00 44.11 ATOM 1206 CG2 VAL 76 -22.352 7.358 -18.562 1.00 4.52 ATOM 1207 HG21 VAL 76 -22.105 8.321 -18.936 1.00 55.23 ATOM 1208 HG22 VAL 76 -21.665 6.632 -18.973 1.00 43.40 ATOM 1209 HG23 VAL 76 -22.262 7.354 -17.488 1.00 53.30 ATOM 1210 C VAL 76 -26.187 7.597 -18.790 1.00 41.13 ATOM 1211 O VAL 76 -26.799 8.308 -19.588 1.00 13.03 ATOM 1212 N ILE 77 -26.693 6.479 -18.280 1.00 41.50 ATOM 1213 HN ILE 77 -26.163 5.974 -17.621 1.00 37.16 ATOM 1214 CA ILE 77 -28.028 6.014 -18.635 1.00 42.20 ATOM 1215 HA ILE 77 -28.059 5.869 -19.709 1.00 52.14 ATOM 1216 CB ILE 77 -28.355 4.672 -17.955 1.00 35.20 ATOM 1217 HB ILE 77 -28.352 4.824 -16.883 1.00 31.43 ATOM 1218 CG1 ILE 77 -27.301 3.623 -18.314 1.00 31.33 ATOM 1219 HG11 ILE 77 -26.313 4.011 -18.151 1.00 37.16 ATOM 1220 HG12 ILE 77 -27.399 3.363 -19.359 1.00 23.51 ATOM 1221 CG2 ILE 77 -29.743 4.197 -18.361 1.00 64.12 ATOM 1222 HG21 ILE 77 -30.493 4.897 -18.032 1.00 45.14 ATOM 1223 HG22 ILE 77 -29.947 3.235 -17.912 1.00 73.42 ATOM 1224 HG23 ILE 77 -29.781 4.102 -19.432 1.00 64.34 ATOM 1225 CD1 ILE 77 -27.423 2.345 -17.513 1.00 73.14 ATOM 1226 HD11 ILE 77 -26.486 2.147 -17.013 1.00 1.31 ATOM 1227 HD12 ILE 77 -27.649 1.526 -18.179 1.00 2.15 ATOM 1228 HD13 ILE 77 -28.210 2.430 -16.774 1.00 43.22 ATOM 1229 C ILE 77 -29.088 7.039 -18.248 1.00 52.41 ATOM 1230 O ILE 77 -30.117 7.164 -18.912 1.00 4.14 ATOM 1231 N ASN 78 -28.829 7.773 -17.170 1.00 71.24 ATOM 1232 HN ASN 78 -27.993 7.629 -16.668 1.00 37.16 ATOM 1233 CA ASN 78 -29.761 8.789 -16.695 1.00 41.13 ATOM 1234 HA ASN 78 -30.765 8.382 -16.742 1.00 22.12 ATOM 1235 CB ASN 78 -29.433 9.177 -15.252 1.00 61.20 ATOM 1236 HB1 ASN 78 -29.803 10.175 -15.048 1.00 37.16 ATOM 1237 HB2 ASN 78 -28.364 9.168 -15.107 1.00 23.41 ATOM 1238 CG ASN 78 -30.066 8.238 -14.243 1.00 53.41 ATOM 1239 OD1 ASN 78 -30.888 7.392 -14.596 1.00 64.03 ATOM 1240 ND2 ASN 78 -29.686 8.385 -12.979 1.00 54.11 ATOM 1241 HD21 ASN 78 -29.026 9.080 -12.755 1.00 60.30 ATOM 1242 HD22 ASN 78 -30.083 7.788 -12.311 1.00 43.12 ATOM 1243 C ASN 78 -29.719 10.026 -17.588 1.00 22.30 ATOM 1244 O ASN 78 -30.757 10.586 -17.940 1.00 60.14 ATOM 1245 N PHE 79 -28.511 10.446 -17.951 1.00 34.13 ATOM 1246 HN PHE 79 -27.713 9.962 -17.633 1.00 37.16 ATOM 1247 CA PHE 79 -28.333 11.616 -18.802 1.00 51.41 ATOM 1248 HA PHE 79 -28.813 12.451 -18.312 1.00 54.54 ATOM 1249 CB PHE 79 -26.844 11.921 -18.981 1.00 54.11 ATOM 1250 HB1 PHE 79 -26.380 11.118 -19.543 1.00 37.16 ATOM 1251 HB2 PHE 79 -26.384 11.976 -18.004 1.00 71.44 ATOM 1252 CG PHE 79 -26.579 13.223 -19.682 1.00 31.12 ATOM 1253 CD1 PHE 79 -25.704 13.282 -20.755 1.00 33.52 ATOM 1254 HD1 PHE 79 -25.208 12.381 -21.091 1.00 31.23 ATOM 1255 CD2 PHE 79 -27.205 14.388 -19.268 1.00 23.21 ATOM 1256 HD2 PHE 79 -27.887 14.363 -18.431 1.00 32.52 ATOM 1257 CE1 PHE 79 -25.458 14.478 -21.401 1.00 1.34 ATOM 1258 HE1 PHE 79 -24.773 14.511 -22.236 1.00 74.20 ATOM 1259 CE2 PHE 79 -26.962 15.587 -19.910 1.00 55.52 ATOM 1260 HE2 PHE 79 -27.457 16.488 -19.578 1.00 35.25 ATOM 1261 CZ PHE 79 -26.089 15.632 -20.979 1.00 4.43 ATOM 1262 HZ PHE 79 -25.898 16.568 -21.483 1.00 74.45 ATOM 1263 C PHE 79 -28.988 11.403 -20.164 1.00 5.01 ATOM 1264 O PHE 79 -29.712 12.267 -20.658 1.00 73.31 ATOM 1265 N TRP 80 -28.726 10.248 -20.765 1.00 22.15 ATOM 1266 HN TRP 80 -28.129 9.597 -20.324 1.00 37.16 ATOM 1267 CA TRP 80 -29.289 9.921 -22.070 1.00 25.42 ATOM 1268 HA TRP 80 -28.906 10.633 -22.788 1.00 30.03 ATOM 1269 CB TRP 80 -28.862 8.514 -22.494 1.00 12.14 ATOM 1270 HB1 TRP 80 -29.102 7.821 -21.700 1.00 37.16 ATOM 1271 HB2 TRP 80 -27.794 8.504 -22.660 1.00 41.12 ATOM 1272 CG TRP 80 -29.541 8.039 -23.743 1.00 21.25 ATOM 1273 CD1 TRP 80 -29.025 8.041 -25.007 1.00 54.52 ATOM 1274 HD1 TRP 80 -28.042 8.386 -25.258 1.00 21.02 ATOM 1275 CD2 TRP 80 -30.861 7.493 -23.846 1.00 45.21 ATOM 1276 NE1 TRP 80 -29.945 7.530 -25.891 1.00 13.32 ATOM 1277 HE1 TRP 80 -29.810 7.428 -26.856 1.00 71.35 ATOM 1278 CE2 TRP 80 -31.079 7.186 -25.203 1.00 61.14 ATOM 1279 CE3 TRP 80 -31.878 7.232 -22.924 1.00 50.45 ATOM 1280 HE3 TRP 80 -31.751 7.446 -21.883 1.00 0.31 ATOM 1281 CZ2 TRP 80 -32.273 6.633 -25.658 1.00 60.13 ATOM 1282 HZ2 TRP 80 -32.430 6.413 -26.683 1.00 30.25 ATOM 1283 CZ3 TRP 80 -33.063 6.684 -23.378 1.00 24.14 ATOM 1284 HZ3 TRP 80 -33.861 6.476 -22.680 1.00 23.11 ATOM 1285 CH2 TRP 80 -33.252 6.388 -24.734 1.00 50.21 ATOM 1286 HH2 TRP 80 -34.190 5.958 -25.041 1.00 74.22 ATOM 1287 C TRP 80 -30.810 10.019 -22.047 1.00 22.21 ATOM 1288 O TRP 80 -31.431 10.396 -23.040 1.00 65.13 ATOM 1289 N GLN 81 -31.404 9.677 -20.908 1.00 4.42 ATOM 1290 HN GLN 81 -30.861 9.368 -20.146 1.00 37.16 ATOM 1291 CA GLN 81 -32.853 9.727 -20.758 1.00 11.34 ATOM 1292 HA GLN 81 -33.303 9.250 -21.620 1.00 52.43 ATOM 1293 CB GLN 81 -33.283 8.967 -19.502 1.00 13.11 ATOM 1294 HB1 GLN 81 -32.734 9.353 -18.658 1.00 37.16 ATOM 1295 HB2 GLN 81 -33.041 7.921 -19.630 1.00 40.01 ATOM 1296 CG GLN 81 -34.769 9.082 -19.200 1.00 62.12 ATOM 1297 HG1 GLN 81 -35.323 8.668 -20.030 1.00 37.16 ATOM 1298 HG2 GLN 81 -35.031 10.121 -19.074 1.00 75.13 ATOM 1299 CD GLN 81 -35.166 8.348 -17.934 1.00 43.33 ATOM 1300 OE1 GLN 81 -34.334 8.098 -17.061 1.00 51.43 ATOM 1301 NE2 GLN 81 -36.442 7.999 -17.828 1.00 33.12 ATOM 1302 HE21 GLN 81 -37.063 8.225 -18.557 1.00 1.25 ATOM 1303 HE22 GLN 81 -36.718 7.524 -17.017 1.00 12.14 ATOM 1304 C GLN 81 -33.344 11.170 -20.686 1.00 64.42 ATOM 1305 O GLN 81 -34.413 11.498 -21.200 1.00 34.14 ATOM 1306 N ASP 82 -32.555 12.026 -20.047 1.00 12.34 ATOM 1307 HN ASP 82 -31.717 11.705 -19.638 1.00 37.16 ATOM 1308 CA ASP 82 -32.909 13.434 -19.909 1.00 1.35 ATOM 1309 HA ASP 82 -33.839 13.478 -19.363 1.00 70.12 ATOM 1310 CB ASP 82 -31.825 14.180 -19.129 1.00 1.40 ATOM 1311 HB1 ASP 82 -31.046 14.518 -19.801 1.00 37.16 ATOM 1312 HB2 ASP 82 -31.389 13.511 -18.400 1.00 44.24 ATOM 1313 CG ASP 82 -32.371 15.382 -18.383 1.00 35.31 ATOM 1314 OD1 ASP 82 -31.630 15.956 -17.558 1.00 21.10 ATOM 1315 OD2 ASP 82 -33.540 15.748 -18.625 1.00 13.25 ATOM 1316 C ASP 82 -33.106 14.082 -21.276 1.00 33.43 ATOM 1317 O ASP 82 -34.008 14.899 -21.463 1.00 13.41 ATOM 1318 N LEU 83 -32.257 13.712 -22.228 1.00 32.51 ATOM 1319 HN LEU 83 -31.578 13.034 -22.022 1.00 37.16 ATOM 1320 CA LEU 83 -32.337 14.257 -23.579 1.00 32.34 ATOM 1321 HA LEU 83 -32.280 15.336 -23.513 1.00 73.43 ATOM 1322 CB LEU 83 -31.165 13.754 -24.423 1.00 60.10 ATOM 1323 HB1 LEU 83 -31.134 14.346 -25.328 1.00 37.16 ATOM 1324 HB2 LEU 83 -31.356 12.722 -24.696 1.00 64.30 ATOM 1325 CG LEU 83 -29.788 13.813 -23.762 1.00 24.44 ATOM 1326 HG LEU 83 -29.761 13.133 -22.930 1.00 32.33 ATOM 1327 CD1 LEU 83 -28.707 13.379 -24.740 1.00 2.21 ATOM 1328 HD11 LEU 83 -28.673 14.064 -25.576 1.00 70.24 ATOM 1329 HD12 LEU 83 -28.931 12.387 -25.099 1.00 32.42 ATOM 1330 HD13 LEU 83 -27.748 13.370 -24.242 1.00 53.14 ATOM 1331 CD2 LEU 83 -29.506 15.214 -23.239 1.00 60.13 ATOM 1332 HD21 LEU 83 -28.554 15.216 -22.726 1.00 33.44 ATOM 1333 HD22 LEU 83 -30.275 15.519 -22.545 1.00 24.50 ATOM 1334 HD23 LEU 83 -29.463 15.908 -24.055 1.00 71.14 ATOM 1335 C LEU 83 -33.657 13.876 -24.242 1.00 61.02 ATOM 1336 O LEU 83 -34.146 14.580 -25.126 1.00 63.33 ATOM 1337 N LYS 84 -34.231 12.759 -23.808 1.00 65.34 ATOM 1338 HN LYS 84 -33.783 12.211 -23.131 1.00 37.16 ATOM 1339 CA LYS 84 -35.496 12.285 -24.357 1.00 23.12 ATOM 1340 HA LYS 84 -35.396 12.249 -25.432 1.00 23.24 ATOM 1341 CB LYS 84 -35.813 10.885 -23.826 1.00 64.25 ATOM 1342 HB1 LYS 84 -36.159 10.959 -22.804 1.00 37.16 ATOM 1343 HB2 LYS 84 -34.908 10.291 -23.838 1.00 64.40 ATOM 1344 CG LYS 84 -36.878 10.157 -24.628 1.00 42.34 ATOM 1345 HG1 LYS 84 -37.726 10.815 -24.767 1.00 37.16 ATOM 1346 HG2 LYS 84 -37.198 9.285 -24.074 1.00 23.04 ATOM 1347 CD LYS 84 -36.358 9.735 -25.992 1.00 42.03 ATOM 1348 HD1 LYS 84 -35.688 10.481 -26.392 1.00 37.16 ATOM 1349 HD2 LYS 84 -37.200 9.627 -26.659 1.00 34.51 ATOM 1350 CE LYS 84 -35.625 8.404 -25.922 1.00 32.12 ATOM 1351 HE1 LYS 84 -35.011 8.383 -25.034 1.00 37.16 ATOM 1352 HE2 LYS 84 -34.994 8.313 -26.794 1.00 53.10 ATOM 1353 NZ LYS 84 -36.569 7.252 -25.890 1.00 0.54 ATOM 1354 HZ1 LYS 84 -37.219 7.292 -26.704 1.00 1.31 ATOM 1355 HZ2 LYS 84 -37.129 7.270 -25.014 1.00 21.45 ATOM 1356 HZ3 LYS 84 -36.044 6.358 -25.930 1.00 53.44 ATOM 1357 C LYS 84 -36.632 13.241 -24.008 1.00 41.24 ATOM 1358 O LYS 84 -37.598 13.371 -24.758 1.00 73.25 ATOM 1359 N ASN 85 -36.508 13.910 -22.866 1.00 65.44 ATOM 1360 HN ASN 85 -35.717 13.768 -22.296 1.00 37.16 ATOM 1361 CA ASN 85 -37.524 14.855 -22.420 1.00 11.04 ATOM 1362 HA ASN 85 -38.458 14.639 -22.925 1.00 22.44 ATOM 1363 CB ASN 85 -37.752 14.716 -20.913 1.00 52.50 ATOM 1364 HB1 ASN 85 -38.737 15.090 -20.675 1.00 37.16 ATOM 1365 HB2 ASN 85 -37.015 15.299 -20.373 1.00 74.34 ATOM 1366 CG ASN 85 -37.668 13.276 -20.446 1.00 4.35 ATOM 1367 OD1 ASN 85 -38.578 12.481 -20.681 1.00 4.24 ATOM 1368 ND2 ASN 85 -36.571 12.934 -19.779 1.00 40.22 ATOM 1369 HD21 ASN 85 -35.881 13.611 -19.619 1.00 14.44 ATOM 1370 HD22 ASN 85 -36.495 12.007 -19.470 1.00 1.20 ATOM 1371 C ASN 85 -37.119 16.287 -22.754 1.00 55.53 ATOM 1372 O ASN 85 -37.970 17.137 -23.017 1.00 50.20 ATOM 1373 N GLN 86 -35.816 16.546 -22.743 1.00 41.30 ATOM 1374 HN GLN 86 -35.175 15.834 -22.523 1.00 37.16 ATOM 1375 CA GLN 86 -35.299 17.876 -23.045 1.00 61.23 ATOM 1376 HA GLN 86 -35.959 18.612 -22.598 1.00 11.11 ATOM 1377 CB GLN 86 -33.897 18.047 -22.457 1.00 14.02 ATOM 1378 HB1 GLN 86 -33.424 18.919 -22.895 1.00 37.16 ATOM 1379 HB2 GLN 86 -33.314 17.171 -22.700 1.00 40.20 ATOM 1380 CG GLN 86 -33.889 18.219 -20.946 1.00 44.25 ATOM 1381 HG1 GLN 86 -34.376 17.366 -20.495 1.00 37.16 ATOM 1382 HG2 GLN 86 -34.434 19.117 -20.696 1.00 54.41 ATOM 1383 CD GLN 86 -32.487 18.331 -20.380 1.00 21.41 ATOM 1384 OE1 GLN 86 -32.121 19.349 -19.792 1.00 55.13 ATOM 1385 NE2 GLN 86 -31.693 17.281 -20.554 1.00 23.44 ATOM 1386 HE21 GLN 86 -32.035 16.500 -21.031 1.00 34.23 ATOM 1387 HE22 GLN 86 -30.784 17.332 -20.192 1.00 75.44 ATOM 1388 C GLN 86 -35.264 18.117 -24.551 1.00 20.11 ATOM 1389 O GLN 86 -35.147 19.254 -25.004 1.00 52.44 ATOM 1390 N ASN 87 -35.366 17.038 -25.320 1.00 43.05 ATOM 1391 HN ASN 87 -35.436 16.145 -24.924 1.00 37.16 ATOM 1392 CA ASN 87 -35.345 17.133 -26.776 1.00 22.53 ATOM 1393 HA ASN 87 -35.466 16.137 -27.175 1.00 72.41 ATOM 1394 CB ASN 87 -36.498 18.009 -27.267 1.00 54.22 ATOM 1395 HB1 ASN 87 -36.545 17.951 -28.346 1.00 37.16 ATOM 1396 HB2 ASN 87 -36.327 19.036 -26.983 1.00 50.31 ATOM 1397 CG ASN 87 -37.836 17.578 -26.697 1.00 2.34 ATOM 1398 OD1 ASN 87 -38.128 17.815 -25.524 1.00 54.35 ATOM 1399 ND2 ASN 87 -38.655 16.941 -27.525 1.00 41.43 ATOM 1400 HD21 ASN 87 -38.370 16.777 -28.452 1.00 0.14 ATOM 1401 HD22 ASN 87 -39.524 16.655 -27.174 1.00 13.13 ATOM 1402 C ASN 87 -34.016 17.700 -27.265 1.00 2.11 ATOM 1403 O ASN 87 -33.981 18.561 -28.145 1.00 35.42 ATOM 1404 N LYS 88 -32.922 17.212 -26.689 1.00 35.01 ATOM 1405 HN LYS 88 -33.005 16.504 -26.006 1.00 37.16 ATOM 1406 CA LYS 88 -31.590 17.668 -27.066 1.00 62.22 ATOM 1407 HA LYS 88 -31.649 18.713 -27.352 1.00 14.32 ATOM 1408 CB LYS 88 -30.632 17.547 -25.879 1.00 11.53 ATOM 1409 HB1 LYS 88 -29.669 17.945 -26.174 1.00 37.16 ATOM 1410 HB2 LYS 88 -30.522 16.502 -25.635 1.00 70.54 ATOM 1411 CG LYS 88 -31.111 18.276 -24.635 1.00 32.53 ATOM 1412 HG1 LYS 88 -31.789 17.629 -24.109 1.00 37.16 ATOM 1413 HG2 LYS 88 -31.631 19.180 -24.931 1.00 52.11 ATOM 1414 CD LYS 88 -29.955 18.627 -23.714 1.00 24.42 ATOM 1415 HD1 LYS 88 -29.051 18.780 -24.292 1.00 37.16 ATOM 1416 HD2 LYS 88 -29.805 17.822 -23.020 1.00 71.24 ATOM 1417 CE LYS 88 -30.241 19.890 -22.916 1.00 63.24 ATOM 1418 HE1 LYS 88 -30.804 19.625 -22.039 1.00 37.16 ATOM 1419 HE2 LYS 88 -30.818 20.582 -23.517 1.00 23.23 ATOM 1420 NZ LYS 88 -28.988 20.574 -22.492 1.00 63.34 ATOM 1421 HZ1 LYS 88 -28.425 20.847 -23.325 1.00 11.13 ATOM 1422 HZ2 LYS 88 -28.417 19.944 -21.891 1.00 62.11 ATOM 1423 HZ3 LYS 88 -29.218 21.431 -21.950 1.00 22.43 ATOM 1424 C LYS 88 -31.055 16.865 -28.248 1.00 4.32 ATOM 1425 O LYS 88 -31.446 15.717 -28.457 1.00 44.43 ATOM 1426 N GLN 89 -30.158 17.477 -29.015 1.00 60.20 ATOM 1427 HN GLN 89 -29.882 18.399 -28.803 1.00 37.16 ATOM 1428 CA GLN 89 -29.569 16.818 -30.175 1.00 32.22 ATOM 1429 HA GLN 89 -29.837 15.769 -30.168 1.00 21.53 ATOM 1430 CB GLN 89 -30.098 17.443 -31.467 1.00 15.25 ATOM 1431 HB1 GLN 89 -31.142 17.184 -31.568 1.00 37.16 ATOM 1432 HB2 GLN 89 -29.558 17.030 -32.312 1.00 3.23 ATOM 1433 CG GLN 89 -29.985 18.959 -31.500 1.00 24.32 ATOM 1434 HG1 GLN 89 -28.997 19.252 -31.170 1.00 37.16 ATOM 1435 HG2 GLN 89 -30.722 19.376 -30.831 1.00 55.22 ATOM 1436 CD GLN 89 -30.212 19.531 -32.885 1.00 75.21 ATOM 1437 OE1 GLN 89 -29.267 19.917 -33.573 1.00 11.20 ATOM 1438 NE2 GLN 89 -31.472 19.588 -33.302 1.00 62.04 ATOM 1439 HE21 GLN 89 -32.188 19.265 -32.709 1.00 2.12 ATOM 1440 HE22 GLN 89 -31.640 19.955 -34.195 1.00 60.13 ATOM 1441 C GLN 89 -28.047 16.909 -30.138 1.00 73.32 ATOM 1442 O GLN 89 -27.416 17.308 -31.117 1.00 71.34 ATOM 1443 N ILE 90 -27.464 16.537 -29.004 1.00 34.44 ATOM 1444 HN ILE 90 -28.024 16.219 -28.260 1.00 37.16 ATOM 1445 CA ILE 90 -26.016 16.576 -28.841 1.00 35.34 ATOM 1446 HA ILE 90 -25.631 17.436 -29.382 1.00 41.33 ATOM 1447 CB ILE 90 -25.621 16.735 -27.361 1.00 23.22 ATOM 1448 HB ILE 90 -24.549 16.862 -27.305 1.00 22.41 ATOM 1449 CG1 ILE 90 -26.019 15.489 -26.567 1.00 14.01 ATOM 1450 HG11 ILE 90 -25.531 14.618 -26.977 1.00 37.16 ATOM 1451 HG12 ILE 90 -27.087 15.351 -26.615 1.00 44.11 ATOM 1452 CG2 ILE 90 -26.270 17.977 -26.769 1.00 73.23 ATOM 1453 HG21 ILE 90 -25.907 18.138 -25.765 1.00 11.34 ATOM 1454 HG22 ILE 90 -27.344 17.854 -26.748 1.00 32.22 ATOM 1455 HG23 ILE 90 -26.023 18.839 -27.375 1.00 62.43 ATOM 1456 CD1 ILE 90 -25.637 15.556 -25.105 1.00 14.42 ATOM 1457 HD11 ILE 90 -24.594 15.814 -25.010 1.00 65.02 ATOM 1458 HD12 ILE 90 -25.808 14.592 -24.648 1.00 10.25 ATOM 1459 HD13 ILE 90 -26.240 16.299 -24.605 1.00 44.44 ATOM 1460 C ILE 90 -25.366 15.313 -29.396 1.00 54.23 ATOM 1461 O ILE 90 -25.959 14.235 -29.371 1.00 31.33 ATOM 1462 N SER 91 -24.143 15.455 -29.897 1.00 12.14 ATOM 1463 HN SER 91 -23.711 16.343 -29.875 1.00 37.16 ATOM 1464 CA SER 91 -23.412 14.326 -30.461 1.00 13.35 ATOM 1465 HA SER 91 -24.120 13.654 -30.933 1.00 65.13 ATOM 1466 CB SER 91 -22.424 14.811 -31.523 1.00 21.00 ATOM 1467 HB1 SER 91 -21.501 15.136 -31.058 1.00 37.16 ATOM 1468 HB2 SER 91 -22.858 15.642 -32.063 1.00 24.22 ATOM 1469 OG SER 91 -22.130 13.783 -32.453 1.00 25.34 ATOM 1470 HG SER 91 -22.839 13.717 -33.098 1.00 1.42 ATOM 1471 C SER 91 -22.669 13.561 -29.370 1.00 32.21 ATOM 1472 O SER 91 -22.728 13.920 -28.194 1.00 44.45 ATOM 1473 N MET 92 -21.971 12.503 -29.769 1.00 61.13 ATOM 1474 HN MET 92 -21.996 12.247 -30.721 1.00 37.16 ATOM 1475 CA MET 92 -21.215 11.686 -28.827 1.00 1.54 ATOM 1476 HA MET 92 -21.901 11.315 -28.077 1.00 70.35 ATOM 1477 CB MET 92 -20.581 10.494 -29.546 1.00 35.14 ATOM 1478 HB1 MET 92 -21.379 9.895 -29.962 1.00 37.16 ATOM 1479 HB2 MET 92 -20.050 9.890 -28.828 1.00 40.22 ATOM 1480 CG MET 92 -19.662 10.892 -30.689 1.00 22.24 ATOM 1481 HG1 MET 92 -19.991 11.818 -31.135 1.00 37.16 ATOM 1482 HG2 MET 92 -19.696 10.113 -31.436 1.00 45.31 ATOM 1483 SD MET 92 -17.948 11.090 -30.164 1.00 51.34 ATOM 1484 CE MET 92 -17.571 9.431 -29.605 1.00 10.25 ATOM 1485 HE1 MET 92 -16.500 9.298 -29.575 1.00 43.54 ATOM 1486 HE2 MET 92 -18.004 8.712 -30.285 1.00 1.01 ATOM 1487 HE3 MET 92 -17.977 9.282 -28.616 1.00 15.13 ATOM 1488 C MET 92 -20.133 12.513 -28.137 1.00 75.54 ATOM 1489 O MET 92 -19.715 12.199 -27.024 1.00 30.54 ATOM 1490 N ALA 93 -19.685 13.569 -28.807 1.00 52.14 ATOM 1491 HN ALA 93 -20.016 13.752 -29.715 1.00 37.16 ATOM 1492 CA ALA 93 -18.654 14.441 -28.258 1.00 61.42 ATOM 1493 HA ALA 93 -17.744 13.865 -28.162 1.00 33.55 ATOM 1494 CB ALA 93 -18.381 15.598 -29.207 1.00 44.13 ATOM 1495 HB1 ALA 93 -18.100 15.208 -30.174 1.00 3.41 ATOM 1496 HB2 ALA 93 -17.575 16.205 -28.819 1.00 24.15 ATOM 1497 HB3 ALA 93 -19.271 16.203 -29.310 1.00 52.32 ATOM 1498 C ALA 93 -19.053 14.965 -26.883 1.00 32.30 ATOM 1499 O ALA 93 -18.300 14.838 -25.918 1.00 71.32 ATOM 1500 N GLU 94 -20.242 15.554 -26.802 1.00 0.34 ATOM 1501 HN GLU 94 -20.802 15.624 -27.613 1.00 37.16 ATOM 1502 CA GLU 94 -20.739 16.099 -25.544 1.00 33.23 ATOM 1503 HA GLU 94 -20.049 16.866 -25.214 1.00 13.14 ATOM 1504 CB GLU 94 -22.123 16.720 -25.743 1.00 13.10 ATOM 1505 HB1 GLU 94 -22.594 16.835 -24.774 1.00 37.16 ATOM 1506 HB2 GLU 94 -22.722 16.048 -26.342 1.00 42.33 ATOM 1507 CG GLU 94 -22.090 18.071 -26.438 1.00 62.21 ATOM 1508 HG1 GLU 94 -22.149 17.912 -27.505 1.00 37.16 ATOM 1509 HG2 GLU 94 -21.163 18.578 -26.202 1.00 52.44 ATOM 1510 CD GLU 94 -23.237 18.970 -26.021 1.00 51.30 ATOM 1511 OE1 GLU 94 -23.635 18.915 -24.839 1.00 14.21 ATOM 1512 OE2 GLU 94 -23.736 19.730 -26.878 1.00 33.33 ATOM 1513 C GLU 94 -20.806 15.016 -24.470 1.00 64.05 ATOM 1514 O GLU 94 -20.378 15.225 -23.336 1.00 23.12 ATOM 1515 N ALA 95 -21.346 13.859 -24.838 1.00 63.25 ATOM 1516 HN ALA 95 -21.681 13.752 -25.761 1.00 37.16 ATOM 1517 CA ALA 95 -21.467 12.743 -23.909 1.00 32.40 ATOM 1518 HA ALA 95 -22.062 13.068 -23.065 1.00 34.32 ATOM 1519 CB ALA 95 -22.191 11.580 -24.572 1.00 15.22 ATOM 1520 HB1 ALA 95 -22.327 10.780 -23.857 1.00 74.52 ATOM 1521 HB2 ALA 95 -21.611 11.220 -25.410 1.00 53.04 ATOM 1522 HB3 ALA 95 -23.156 11.914 -24.923 1.00 12.11 ATOM 1523 C ALA 95 -20.099 12.297 -23.404 1.00 40.12 ATOM 1524 O ALA 95 -19.971 11.807 -22.283 1.00 32.13 ATOM 1525 N GLN 96 -19.080 12.470 -24.240 1.00 1.43 ATOM 1526 HN GLN 96 -19.240 12.848 -25.134 1.00 37.16 ATOM 1527 CA GLN 96 -17.721 12.084 -23.877 1.00 54.33 ATOM 1528 HA GLN 96 -17.760 11.100 -23.431 1.00 11.23 ATOM 1529 CB GLN 96 -16.831 12.047 -25.120 1.00 64.52 ATOM 1530 HB1 GLN 96 -15.814 12.313 -24.852 1.00 37.16 ATOM 1531 HB2 GLN 96 -17.189 12.768 -25.836 1.00 74.34 ATOM 1532 CG GLN 96 -16.805 10.692 -25.809 1.00 62.23 ATOM 1533 HG1 GLN 96 -16.683 10.853 -26.870 1.00 37.16 ATOM 1534 HG2 GLN 96 -17.740 10.174 -25.636 1.00 31.22 ATOM 1535 CD GLN 96 -15.667 9.813 -25.327 1.00 15.20 ATOM 1536 OE1 GLN 96 -14.653 9.661 -26.009 1.00 33.15 ATOM 1537 NE2 GLN 96 -15.830 9.229 -24.146 1.00 12.24 ATOM 1538 HE21 GLN 96 -16.646 9.399 -23.645 1.00 11.12 ATOM 1539 HE22 GLN 96 -15.113 8.644 -23.823 1.00 14.41 ATOM 1540 C GLN 96 -17.138 13.047 -22.848 1.00 71.02 ATOM 1541 O GLN 96 -16.674 12.631 -21.787 1.00 54.22 ATOM 1542 N GLY 97 -17.164 14.337 -23.170 1.00 35.12 ATOM 1543 HN GLY 97 -17.545 14.622 -24.031 1.00 37.16 ATOM 1544 CA GLY 97 -16.635 15.339 -22.263 1.00 62.50 ATOM 1545 HA1 GLY 97 -16.770 16.314 -22.707 1.00 37.16 ATOM 1546 HA2 GLY 97 -15.577 15.165 -22.121 1.00 62.11 ATOM 1547 C GLY 97 -17.322 15.319 -20.912 1.00 54.22 ATOM 1548 O GLY 97 -16.732 15.698 -19.901 1.00 3.33 ATOM 1549 N LYS 98 -18.576 14.878 -20.894 1.00 65.13 ATOM 1550 HN LYS 98 -19.016 14.611 -21.733 1.00 37.16 ATOM 1551 CA LYS 98 -19.346 14.811 -19.658 1.00 61.42 ATOM 1552 HA LYS 98 -19.120 15.696 -19.072 1.00 73.14 ATOM 1553 CB LYS 98 -20.844 14.784 -19.968 1.00 34.33 ATOM 1554 HB1 LYS 98 -21.169 13.765 -20.146 1.00 37.16 ATOM 1555 HB2 LYS 98 -21.015 15.356 -20.872 1.00 60.43 ATOM 1556 CG LYS 98 -21.702 15.402 -18.877 1.00 60.30 ATOM 1557 HG1 LYS 98 -22.594 15.804 -19.340 1.00 37.16 ATOM 1558 HG2 LYS 98 -21.159 16.205 -18.393 1.00 45.02 ATOM 1559 CD LYS 98 -22.100 14.374 -17.831 1.00 23.11 ATOM 1560 HD1 LYS 98 -21.291 14.249 -17.132 1.00 37.16 ATOM 1561 HD2 LYS 98 -22.310 13.443 -18.312 1.00 14.52 ATOM 1562 CE LYS 98 -23.339 14.810 -17.064 1.00 63.00 ATOM 1563 HE1 LYS 98 -23.735 13.953 -16.539 1.00 37.16 ATOM 1564 HE2 LYS 98 -24.084 15.177 -17.758 1.00 50.44 ATOM 1565 NZ LYS 98 -23.030 15.877 -16.072 1.00 51.02 ATOM 1566 HZ1 LYS 98 -22.333 15.535 -15.378 1.00 55.32 ATOM 1567 HZ2 LYS 98 -23.896 16.152 -15.565 1.00 21.42 ATOM 1568 HZ3 LYS 98 -22.645 16.717 -16.552 1.00 62.53 ATOM 1569 C LYS 98 -18.962 13.579 -18.844 1.00 50.12 ATOM 1570 O LYS 98 -19.102 13.563 -17.621 1.00 62.20 ATOM 1571 N PHE 99 -18.476 12.550 -19.530 1.00 74.32 ATOM 1572 HN PHE 99 -18.417 12.590 -20.506 1.00 37.16 ATOM 1573 CA PHE 99 -18.072 11.314 -18.870 1.00 63.14 ATOM 1574 HA PHE 99 -18.061 11.462 -17.797 1.00 33.23 ATOM 1575 CB PHE 99 -19.071 10.196 -19.177 1.00 42.31 ATOM 1576 HB1 PHE 99 -18.726 9.278 -18.717 1.00 37.16 ATOM 1577 HB2 PHE 99 -19.120 10.052 -20.249 1.00 15.44 ATOM 1578 CG PHE 99 -20.455 10.471 -18.662 1.00 43.42 ATOM 1579 CD1 PHE 99 -21.502 10.701 -19.540 1.00 2.10 ATOM 1580 HD1 PHE 99 -21.322 10.677 -20.604 1.00 32.43 ATOM 1581 CD2 PHE 99 -20.708 10.501 -17.300 1.00 73.13 ATOM 1582 HD2 PHE 99 -19.901 10.323 -16.602 1.00 63.34 ATOM 1583 CE1 PHE 99 -22.777 10.954 -19.070 1.00 4.34 ATOM 1584 HE1 PHE 99 -23.584 11.132 -19.765 1.00 14.30 ATOM 1585 CE2 PHE 99 -21.981 10.753 -16.824 1.00 40.01 ATOM 1586 HE2 PHE 99 -22.165 10.774 -15.761 1.00 63.24 ATOM 1587 CZ PHE 99 -23.016 10.981 -17.710 1.00 11.23 ATOM 1588 HZ PHE 99 -24.011 11.179 -17.340 1.00 54.11 ATOM 1589 C PHE 99 -16.672 10.895 -19.311 1.00 11.30 ATOM 1590 O PHE 99 -16.491 9.942 -20.069 1.00 35.35 ATOM 1591 N PRO 100 -15.657 11.625 -18.826 1.00 43.31 ATOM 1592 CA PRO 100 -14.255 11.349 -19.156 1.00 12.41 ATOM 1593 HA PRO 100 -14.099 11.310 -20.225 1.00 51.11 ATOM 1594 CB PRO 100 -13.510 12.552 -18.572 1.00 10.21 ATOM 1595 HB1 PRO 100 -13.392 13.304 -19.338 1.00 37.16 ATOM 1596 HB2 PRO 100 -12.534 12.260 -18.202 1.00 61.14 ATOM 1597 CG PRO 100 -14.387 13.044 -17.473 1.00 55.52 ATOM 1598 HG1 PRO 100 -14.235 14.103 -17.328 1.00 37.16 ATOM 1599 HG2 PRO 100 -14.172 12.505 -16.562 1.00 3.44 ATOM 1600 CD PRO 100 -15.798 12.776 -17.918 1.00 75.03 ATOM 1601 HD1 PRO 100 -16.200 13.633 -18.439 1.00 37.16 ATOM 1602 HD2 PRO 100 -16.411 12.529 -17.065 1.00 20.15 ATOM 1603 C PRO 100 -13.755 10.055 -18.524 1.00 71.11 ATOM 1604 O PRO 100 -12.662 9.584 -18.835 1.00 44.44 ATOM 1605 N GLU 101 -14.563 9.484 -17.636 1.00 11.30 ATOM 1606 HN GLU 101 -15.407 9.906 -17.384 1.00 37.16 ATOM 1607 CA GLU 101 -14.201 8.244 -16.961 1.00 23.32 ATOM 1608 HA GLU 101 -13.132 8.090 -17.047 1.00 72.23 ATOM 1609 CB GLU 101 -14.553 8.324 -15.474 1.00 54.41 ATOM 1610 HB1 GLU 101 -14.211 7.418 -14.989 1.00 37.16 ATOM 1611 HB2 GLU 101 -15.628 8.396 -15.368 1.00 43.11 ATOM 1612 CG GLU 101 -13.931 9.515 -14.765 1.00 0.14 ATOM 1613 HG1 GLU 101 -14.437 10.413 -15.087 1.00 37.16 ATOM 1614 HG2 GLU 101 -12.884 9.578 -15.029 1.00 11.20 ATOM 1615 CD GLU 101 -14.036 9.415 -13.255 1.00 51.12 ATOM 1616 OE1 GLU 101 -13.460 10.280 -12.562 1.00 54.34 ATOM 1617 OE2 GLU 101 -14.693 8.472 -12.767 1.00 13.53 ATOM 1618 C GLU 101 -14.907 7.051 -17.598 1.00 71.24 ATOM 1619 O GLU 101 -14.732 5.910 -17.170 1.00 72.12 ATOM 1620 N VAL 102 -15.707 7.323 -18.625 1.00 1.44 ATOM 1621 HN VAL 102 -15.822 8.244 -18.940 1.00 37.16 ATOM 1622 CA VAL 102 -16.440 6.274 -19.322 1.00 60.23 ATOM 1623 HA VAL 102 -16.242 5.321 -18.838 1.00 22.31 ATOM 1624 CB VAL 102 -17.960 6.520 -19.269 1.00 25.13 ATOM 1625 HB VAL 102 -18.171 7.453 -19.761 1.00 13.45 ATOM 1626 CG1 VAL 102 -18.706 5.413 -19.997 1.00 61.25 ATOM 1627 HG11 VAL 102 -18.340 4.446 -19.677 1.00 32.10 ATOM 1628 HG12 VAL 102 -18.569 5.516 -21.063 1.00 30.32 ATOM 1629 HG13 VAL 102 -19.759 5.485 -19.770 1.00 52.02 ATOM 1630 CG2 VAL 102 -18.430 6.632 -17.826 1.00 72.45 ATOM 1631 HG21 VAL 102 -19.510 6.695 -17.793 1.00 13.40 ATOM 1632 HG22 VAL 102 -18.010 7.524 -17.386 1.00 30.34 ATOM 1633 HG23 VAL 102 -18.101 5.772 -17.264 1.00 70.53 ATOM 1634 C VAL 102 -16.003 6.174 -20.780 1.00 14.34 ATOM 1635 O VAL 102 -15.735 7.185 -21.429 1.00 51.11 ATOM 1636 N VAL 103 -15.935 4.948 -21.289 1.00 4.24 ATOM 1637 HN VAL 103 -16.175 4.174 -20.725 1.00 37.16 ATOM 1638 CA VAL 103 -15.532 4.716 -22.671 1.00 31.34 ATOM 1639 HA VAL 103 -14.797 5.470 -22.946 1.00 73.24 ATOM 1640 CB VAL 103 -14.876 3.332 -22.839 1.00 14.21 ATOM 1641 HB VAL 103 -15.597 2.582 -22.577 1.00 53.41 ATOM 1642 CG1 VAL 103 -14.460 3.111 -24.285 1.00 74.31 ATOM 1643 HG11 VAL 103 -13.864 3.946 -24.629 1.00 22.31 ATOM 1644 HG12 VAL 103 -15.335 3.011 -24.909 1.00 51.24 ATOM 1645 HG13 VAL 103 -13.874 2.204 -24.361 1.00 41.32 ATOM 1646 CG2 VAL 103 -13.684 3.191 -21.905 1.00 20.01 ATOM 1647 HG21 VAL 103 -14.010 3.297 -20.880 1.00 0.30 ATOM 1648 HG22 VAL 103 -12.952 3.954 -22.130 1.00 11.41 ATOM 1649 HG23 VAL 103 -13.235 2.215 -22.035 1.00 32.51 ATOM 1650 C VAL 103 -16.724 4.819 -23.615 1.00 53.21 ATOM 1651 O VAL 103 -17.840 4.430 -23.269 1.00 0.31 ATOM 1652 N PHE 104 -16.481 5.346 -24.811 1.00 20.04 ATOM 1653 HN PHE 104 -15.570 5.653 -25.032 1.00 37.16 ATOM 1654 CA PHE 104 -17.535 5.501 -25.806 1.00 41.54 ATOM 1655 HA PHE 104 -18.367 4.855 -25.545 1.00 22.25 ATOM 1656 CB PHE 104 -18.022 6.951 -25.842 1.00 50.52 ATOM 1657 HB1 PHE 104 -18.522 7.143 -26.787 1.00 37.16 ATOM 1658 HB2 PHE 104 -17.170 7.608 -25.767 1.00 62.45 ATOM 1659 CG PHE 104 -18.978 7.290 -24.734 1.00 42.31 ATOM 1660 CD1 PHE 104 -18.509 7.598 -23.467 1.00 30.20 ATOM 1661 HD1 PHE 104 -17.452 7.574 -23.269 1.00 74.53 ATOM 1662 CD2 PHE 104 -20.345 7.302 -24.960 1.00 23.23 ATOM 1663 HD2 PHE 104 -20.726 7.064 -25.944 1.00 15.54 ATOM 1664 CE1 PHE 104 -19.386 7.909 -22.446 1.00 15.15 ATOM 1665 HE1 PHE 104 -19.011 8.152 -21.469 1.00 44.55 ATOM 1666 CE2 PHE 104 -21.227 7.613 -23.942 1.00 70.22 ATOM 1667 HE2 PHE 104 -22.286 7.616 -24.126 1.00 71.41 ATOM 1668 CZ PHE 104 -20.747 7.918 -22.684 1.00 20.23 ATOM 1669 HZ PHE 104 -21.434 8.161 -21.887 1.00 55.42 ATOM 1670 C PHE 104 -17.043 5.084 -27.189 1.00 44.31 ATOM 1671 O PHE 104 -15.841 5.085 -27.459 1.00 15.44 ATOM 1672 N SER 105 -17.980 4.727 -28.062 1.00 3.35 ATOM 1673 HN SER 105 -18.928 4.739 -27.793 1.00 37.16 ATOM 1674 CA SER 105 -17.642 4.303 -29.415 1.00 51.22 ATOM 1675 HA SER 105 -16.589 4.489 -29.595 1.00 54.41 ATOM 1676 CB SER 105 -17.902 2.805 -29.583 1.00 22.23 ATOM 1677 HB1 SER 105 -18.947 2.598 -29.402 1.00 37.16 ATOM 1678 HB2 SER 105 -17.301 2.257 -28.873 1.00 70.54 ATOM 1679 OG SER 105 -17.570 2.373 -30.891 1.00 24.32 ATOM 1680 HG SER 105 -16.620 2.242 -30.957 1.00 64.14 ATOM 1681 C SER 105 -18.446 5.089 -30.447 1.00 31.41 ATOM 1682 O SER 105 -19.549 5.555 -30.167 1.00 14.03 ATOM 1683 N GLY 106 -17.883 5.231 -31.643 1.00 74.33 ATOM 1684 HN GLY 106 -16.996 4.842 -31.819 1.00 37.16 ATOM 1685 CA GLY 106 -18.560 5.960 -32.700 1.00 15.04 ATOM 1686 HA1 GLY 106 -17.985 6.849 -32.916 1.00 37.16 ATOM 1687 HA2 GLY 106 -19.551 6.263 -32.382 1.00 5.52 ATOM 1688 C GLY 106 -18.699 5.145 -33.970 1.00 72.11 ATOM 1689 O GLY 106 -19.021 3.958 -33.922 1.00 20.20 ATOM 1690 N SER 107 -18.457 5.784 -35.110 1.00 74.44 ATOM 1691 HN SER 107 -18.185 6.733 -35.089 1.00 37.16 ATOM 1692 CA SER 107 -18.563 5.111 -36.400 1.00 44.42 ATOM 1693 HA SER 107 -19.232 4.262 -36.299 1.00 43.14 ATOM 1694 CB SER 107 -19.151 6.059 -37.447 1.00 0.52 ATOM 1695 HB1 SER 107 -18.845 5.754 -38.441 1.00 37.16 ATOM 1696 HB2 SER 107 -18.805 7.066 -37.263 1.00 73.20 ATOM 1697 OG SER 107 -20.567 6.053 -37.402 1.00 13.33 ATOM 1698 HG SER 107 -20.908 6.775 -37.935 1.00 4.11 ATOM 1699 C SER 107 -17.199 4.608 -36.863 1.00 62.21 ATOM 1700 O SER 107 -16.174 5.242 -36.615 1.00 31.53 ATOM 1701 N ASN 108 -17.196 3.463 -37.538 1.00 22.31 ATOM 1702 HN ASN 108 -18.051 2.995 -37.699 1.00 37.16 ATOM 1703 CA ASN 108 -15.959 2.872 -38.036 1.00 4.33 ATOM 1704 HA ASN 108 -15.381 3.649 -38.521 1.00 52.51 ATOM 1705 CB ASN 108 -15.141 2.298 -36.877 1.00 44.41 ATOM 1706 HB1 ASN 108 -14.992 3.073 -36.139 1.00 37.16 ATOM 1707 HB2 ASN 108 -14.178 1.979 -37.250 1.00 32.43 ATOM 1708 CG ASN 108 -15.832 1.127 -36.206 1.00 1.54 ATOM 1709 OD1 ASN 108 -16.983 1.232 -35.781 1.00 4.11 ATOM 1710 ND2 ASN 108 -15.131 0.004 -36.107 1.00 5.24 ATOM 1711 HD21 ASN 108 -14.214 -0.025 -36.463 1.00 72.32 ATOM 1712 HD22 ASN 108 -15.562 -0.764 -35.676 1.00 54.35 ATOM 1713 C ASN 108 -16.251 1.778 -39.058 1.00 21.12 ATOM 1714 O ASN 108 -17.367 1.261 -39.128 1.00 24.51 ATOM 1715 N LEU 109 -15.242 1.430 -39.848 1.00 63.41 ATOM 1716 HN LEU 109 -14.399 1.926 -39.770 1.00 37.16 ATOM 1717 CA LEU 109 -15.389 0.396 -40.867 1.00 32.33 ATOM 1718 HA LEU 109 -16.076 0.762 -41.616 1.00 13.53 ATOM 1719 CB LEU 109 -14.041 0.109 -41.529 1.00 64.42 ATOM 1720 HB1 LEU 109 -13.892 0.857 -42.295 1.00 37.16 ATOM 1721 HB2 LEU 109 -14.083 -0.859 -42.016 1.00 63.54 ATOM 1722 CG LEU 109 -12.820 0.139 -40.608 1.00 74.41 ATOM 1723 HG LEU 109 -12.654 1.147 -40.263 1.00 31.20 ATOM 1724 CD1 LEU 109 -13.049 -0.744 -39.391 1.00 24.20 ATOM 1725 HD11 LEU 109 -12.121 -0.855 -38.843 1.00 15.42 ATOM 1726 HD12 LEU 109 -13.395 -1.721 -39.699 1.00 71.23 ATOM 1727 HD13 LEU 109 -13.779 -0.290 -38.742 1.00 40.44 ATOM 1728 CD2 LEU 109 -11.573 -0.300 -41.361 1.00 41.01 ATOM 1729 HD21 LEU 109 -11.411 0.355 -42.206 1.00 63.13 ATOM 1730 HD22 LEU 109 -11.697 -1.315 -41.713 1.00 15.43 ATOM 1731 HD23 LEU 109 -10.716 -0.251 -40.703 1.00 14.23 ATOM 1732 C LEU 109 -15.955 -0.886 -40.264 1.00 15.12 ATOM 1733 O LEU 109 -16.099 -0.999 -39.047 1.00 74.30 ATOM 1734 N GLU 110 -16.273 -1.849 -41.124 1.00 2.32 ATOM 1735 HN GLU 110 -16.124 -1.708 -42.089 1.00 37.16 ATOM 1736 CA GLU 110 -16.822 -3.123 -40.675 1.00 2.32 ATOM 1737 HA GLU 110 -17.303 -2.981 -39.713 1.00 64.44 ATOM 1738 CB GLU 110 -17.871 -3.629 -41.667 1.00 20.23 ATOM 1739 HB1 GLU 110 -18.204 -4.613 -41.360 1.00 37.16 ATOM 1740 HB2 GLU 110 -17.416 -3.702 -42.645 1.00 52.14 ATOM 1741 CG GLU 110 -19.092 -2.731 -41.773 1.00 31.23 ATOM 1742 HG1 GLU 110 -18.772 -1.744 -42.076 1.00 37.16 ATOM 1743 HG2 GLU 110 -19.564 -2.672 -40.804 1.00 33.44 ATOM 1744 CD GLU 110 -20.108 -3.244 -42.775 1.00 41.30 ATOM 1745 OE1 GLU 110 -20.497 -2.469 -43.674 1.00 4.41 ATOM 1746 OE2 GLU 110 -20.514 -4.419 -42.661 1.00 13.22 ATOM 1747 C GLU 110 -15.718 -4.163 -40.510 1.00 23.11 ATOM 1748 O GLU 110 -14.609 -3.994 -41.018 1.00 4.45 ATOM 1749 N HIS 111 -16.029 -5.240 -39.796 1.00 35.12 ATOM 1750 HN HIS 111 -16.933 -5.321 -39.409 1.00 37.16 ATOM 1751 CA HIS 111 -15.064 -6.309 -39.563 1.00 54.13 ATOM 1752 HA HIS 111 -14.306 -6.276 -40.337 1.00 40.52 ATOM 1753 CB HIS 111 -14.385 -6.125 -38.206 1.00 11.11 ATOM 1754 HB1 HIS 111 -13.828 -5.199 -38.218 1.00 37.16 ATOM 1755 HB2 HIS 111 -13.701 -6.944 -38.029 1.00 63.13 ATOM 1756 CG HIS 111 -15.346 -6.065 -37.059 1.00 21.35 ATOM 1757 ND1 HIS 111 -15.397 -7.024 -36.069 1.00 23.31 ATOM 1758 HD1 HIS 111 -14.829 -7.821 -36.014 1.00 52.15 ATOM 1759 CD2 HIS 111 -16.295 -5.153 -36.745 1.00 54.13 ATOM 1760 HD2 HIS 111 -16.534 -4.259 -37.304 1.00 72.43 ATOM 1761 CE1 HIS 111 -16.337 -6.705 -35.198 1.00 31.23 ATOM 1762 HE1 HIS 111 -16.602 -7.272 -34.318 1.00 62.21 ATOM 1763 NE2 HIS 111 -16.897 -5.573 -35.585 1.00 32.51 ATOM 1764 HE2 HIS 111 -17.686 -5.163 -35.172 1.00 37.16 ATOM 1765 C HIS 111 -15.741 -7.675 -39.626 1.00 10.12 ATOM 1766 O HIS 111 -16.962 -7.781 -39.500 1.00 45.05 ATOM 1767 N HIS 112 -14.941 -8.718 -39.821 1.00 64.12 ATOM 1768 HN HIS 112 -13.974 -8.568 -39.883 1.00 37.16 ATOM 1769 CA HIS 112 -15.462 -10.078 -39.901 1.00 15.24 ATOM 1770 HA HIS 112 -16.141 -10.127 -40.744 1.00 71.11 ATOM 1771 CB HIS 112 -14.322 -11.072 -40.122 1.00 73.13 ATOM 1772 HB1 HIS 112 -14.710 -12.083 -40.078 1.00 37.16 ATOM 1773 HB2 HIS 112 -13.586 -10.942 -39.343 1.00 73.40 ATOM 1774 CG HIS 112 -13.629 -10.904 -41.439 1.00 60.52 ATOM 1775 ND1 HIS 112 -12.746 -9.878 -41.700 1.00 14.42 ATOM 1776 HD1 HIS 112 -12.467 -9.186 -41.069 1.00 32.00 ATOM 1777 CD2 HIS 112 -13.691 -11.642 -42.573 1.00 11.24 ATOM 1778 HD2 HIS 112 -14.288 -12.530 -42.728 1.00 33.40 ATOM 1779 CE1 HIS 112 -12.297 -9.989 -42.937 1.00 71.41 ATOM 1780 HE1 HIS 112 -11.593 -9.325 -43.416 1.00 14.23 ATOM 1781 NE2 HIS 112 -12.855 -11.052 -43.488 1.00 63.43 ATOM 1782 HE2 HIS 112 -12.763 -11.315 -44.428 1.00 37.16 ATOM 1783 C HIS 112 -16.230 -10.440 -38.633 1.00 21.13 ATOM 1784 O HIS 112 -16.021 -9.843 -37.576 1.00 64.21 ATOM 1785 N HIS 113 -17.120 -11.421 -38.745 1.00 62.22 ATOM 1786 HN HIS 113 -17.245 -11.871 -39.613 1.00 37.16 ATOM 1787 CA HIS 113 -17.919 -11.863 -37.608 1.00 2.23 ATOM 1788 HA HIS 113 -17.723 -11.212 -36.762 1.00 2.24 ATOM 1789 CB HIS 113 -19.409 -11.776 -37.939 1.00 42.45 ATOM 1790 HB1 HIS 113 -19.986 -12.104 -37.084 1.00 37.16 ATOM 1791 HB2 HIS 113 -19.625 -12.418 -38.781 1.00 1.32 ATOM 1792 CG HIS 113 -19.864 -10.393 -38.293 1.00 63.24 ATOM 1793 ND1 HIS 113 -19.910 -9.925 -39.589 1.00 73.05 ATOM 1794 HD1 HIS 113 -19.657 -10.431 -40.389 1.00 35.12 ATOM 1795 CD2 HIS 113 -20.296 -9.376 -37.512 1.00 25.13 ATOM 1796 HD2 HIS 113 -20.391 -9.391 -36.435 1.00 11.32 ATOM 1797 CE1 HIS 113 -20.349 -8.679 -39.590 1.00 35.14 ATOM 1798 HE1 HIS 113 -20.488 -8.058 -40.463 1.00 12.44 ATOM 1799 NE2 HIS 113 -20.591 -8.322 -38.341 1.00 60.31 ATOM 1800 HE2 HIS 113 -21.016 -7.483 -38.066 1.00 37.16 ATOM 1801 C HIS 113 -17.557 -13.291 -37.211 1.00 44.20 ATOM 1802 O HIS 113 -17.328 -14.145 -38.068 1.00 75.31 ATOM 1803 N HIS 114 -17.505 -13.543 -35.907 1.00 3.42 ATOM 1804 HN HIS 114 -17.684 -12.815 -35.264 1.00 37.16 ATOM 1805 CA HIS 114 -17.170 -14.867 -35.397 1.00 22.53 ATOM 1806 HA HIS 114 -17.509 -15.612 -36.107 1.00 1.24 ATOM 1807 CB HIS 114 -15.657 -15.004 -35.226 1.00 5.22 ATOM 1808 HB1 HIS 114 -15.204 -15.089 -36.203 1.00 37.16 ATOM 1809 HB2 HIS 114 -15.429 -15.895 -34.656 1.00 70.54 ATOM 1810 CG HIS 114 -15.024 -13.836 -34.533 1.00 74.02 ATOM 1811 ND1 HIS 114 -14.512 -12.748 -35.208 1.00 25.31 ATOM 1812 HD1 HIS 114 -14.507 -12.628 -36.181 1.00 52.11 ATOM 1813 CD2 HIS 114 -14.825 -13.589 -33.217 1.00 52.24 ATOM 1814 HD2 HIS 114 -15.105 -14.232 -32.395 1.00 63.41 ATOM 1815 CE1 HIS 114 -14.023 -11.883 -34.337 1.00 63.32 ATOM 1816 HE1 HIS 114 -13.558 -10.938 -34.578 1.00 70.20 ATOM 1817 NE2 HIS 114 -14.201 -12.369 -33.122 1.00 60.40 ATOM 1818 HE2 HIS 114 -13.849 -11.973 -32.298 1.00 37.16 ATOM 1819 C HIS 114 -17.870 -15.130 -34.067 1.00 24.43 ATOM 1820 O HIS 114 -18.467 -14.228 -33.479 1.00 31.22 ATOM 1821 N HIS 115 -17.792 -16.372 -33.598 1.00 11.11 ATOM 1822 HN HIS 115 -17.312 -17.059 -34.120 1.00 37.16 ATOM 1823 CA HIS 115 -18.418 -16.753 -32.337 1.00 74.41 ATOM 1824 HA HIS 115 -18.472 -15.871 -31.707 1.00 1.33 ATOM 1825 CB HIS 115 -19.829 -17.288 -32.585 1.00 72.03 ATOM 1826 HB1 HIS 115 -19.782 -18.317 -32.920 1.00 37.16 ATOM 1827 HB2 HIS 115 -20.301 -16.692 -33.354 1.00 51.40 ATOM 1828 CG HIS 115 -20.711 -17.234 -31.376 1.00 74.32 ATOM 1829 ND1 HIS 115 -21.711 -18.153 -31.132 1.00 43.43 ATOM 1830 HD1 HIS 115 -21.943 -18.913 -31.706 1.00 43.22 ATOM 1831 CD2 HIS 115 -20.739 -16.366 -30.338 1.00 52.34 ATOM 1832 HD2 HIS 115 -20.090 -15.513 -30.198 1.00 42.05 ATOM 1833 CE1 HIS 115 -22.316 -17.850 -29.998 1.00 30.33 ATOM 1834 HE1 HIS 115 -23.137 -18.394 -29.555 1.00 34.51 ATOM 1835 NE2 HIS 115 -21.745 -16.770 -29.496 1.00 31.23 ATOM 1836 HE2 HIS 115 -22.060 -16.279 -28.709 1.00 37.16 ATOM 1837 C HIS 115 -17.584 -17.805 -31.612 1.00 45.30 ATOM 1838 O HIS 115 -16.902 -18.614 -32.242 1.00 73.22 ATOM 1839 N HIS 116 -17.640 -17.786 -30.284 1.00 75.01 ATOM 1840 HN HIS 116 -18.199 -17.116 -29.830 1.00 37.16 ATOM 1841 HA HIS 116 -16.094 -19.167 -30.072 1.00 61.42 ATOM 1842 CB HIS 116 -16.257 -18.031 -28.274 1.00 14.23 ATOM 1843 HB1 HIS 116 -15.710 -18.752 -27.680 1.00 37.16 ATOM 1844 HB2 HIS 116 -17.037 -17.592 -27.669 1.00 5.21 ATOM 1845 CG HIS 116 -15.305 -16.939 -28.655 1.00 72.50 ATOM 1846 ND1 HIS 116 -14.574 -16.953 -29.824 1.00 21.11 ATOM 1847 HD1 HIS 116 -14.593 -17.656 -30.506 1.00 21.13 ATOM 1848 CD2 HIS 116 -14.968 -15.795 -28.015 1.00 63.51 ATOM 1849 HD2 HIS 116 -15.353 -15.456 -27.063 1.00 4.31 ATOM 1850 CE1 HIS 116 -13.826 -15.866 -29.886 1.00 14.42 ATOM 1851 HE1 HIS 116 -13.150 -15.609 -30.688 1.00 53.31 ATOM 1852 NE2 HIS 116 -14.047 -15.146 -28.800 1.00 72.04 ATOM 1853 HE2 HIS 116 -13.692 -14.247 -28.636 1.00 37.16 ATOM 1854 CA HIS 116 -16.889 -18.738 -29.473 1.00 53.32 ATOM 1855 C HIS 116 -17.789 -19.872 -28.994 1.00 35.42 ATOM 1856 OT1 HIS 116 -17.457 -21.046 -29.265 1.00 37.16 ATOM 1857 OT2 HIS 116 -18.828 -19.580 -28.360 1.00 37.16 ATOM 1858 OH2 TIP3 1 -33.880 -12.591 -18.657 0.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -33.680 -12.167 -19.492 0.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -33.224 -12.248 -18.050 0.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -31.451 -13.929 -24.781 0.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -31.473 -13.744 -23.842 0.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -30.761 -13.360 -25.122 0.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -31.888 -14.362 -21.859 0.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -32.375 -15.097 -22.230 0.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -31.339 -14.755 -21.181 0.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -34.862 -12.743 -22.914 0.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -35.044 -11.827 -23.125 0.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -34.686 -13.153 -23.761 0.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -33.515 -15.308 -19.051 0.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -34.297 -15.494 -19.571 0.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -33.587 -14.379 -18.834 0.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -32.079 -16.690 -15.886 0.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -32.006 -15.751 -15.716 0.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -31.174 -16.995 -15.943 0.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -33.285 -16.432 -13.337 0.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -33.658 -17.258 -13.027 0.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -33.008 -16.615 -14.234 0.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -31.389 -13.976 -15.315 0.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -30.646 -13.390 -15.455 0.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -32.084 -13.408 -14.982 0.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -34.167 -14.579 -6.154 0.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -34.323 -13.901 -6.811 0.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -33.235 -14.507 -5.951 0.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -31.451 -13.929 -5.925 0.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -31.473 -13.744 -4.986 0.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -30.761 -13.360 -6.266 0.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -34.713 -13.839 -10.353 0.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -34.060 -14.186 -10.961 0.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -34.202 -13.350 -9.707 0.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -32.733 -14.059 -12.345 0.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -32.927 -14.807 -12.910 0.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -32.772 -13.301 -12.929 0.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -33.717 -0.284 -40.197 0.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -33.577 -0.875 -40.936 0.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -33.549 0.589 -40.553 0.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -31.162 2.397 -38.620 0.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -31.211 1.442 -38.657 0.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -31.988 2.665 -38.218 0.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -31.617 -0.562 -38.677 0.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -32.469 -0.324 -39.044 0.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -31.027 -0.579 -39.430 0.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -35.437 4.023 -39.833 0.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -36.039 3.468 -40.328 0.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -35.156 4.690 -40.459 0.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -37.279 2.247 -37.289 0.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -37.630 1.391 -37.046 0.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -36.553 2.390 -36.682 0.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -38.747 -2.562 -36.612 0.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -37.794 -2.478 -36.640 0.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -38.907 -3.273 -35.993 0.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -37.017 -6.054 -36.047 0.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -36.825 -6.985 -36.158 0.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -36.160 -5.629 -36.057 0.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -31.451 4.927 -43.637 0.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -31.473 5.112 -42.698 0.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -30.761 5.496 -43.978 0.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -31.888 4.494 -40.715 0.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -32.375 3.759 -41.086 0.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -31.339 4.101 -40.037 0.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -33.437 0.284 -36.077 0.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -34.303 0.179 -35.683 0.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -33.061 1.043 -35.630 0.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -33.496 2.257 -41.484 0.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -34.144 2.582 -40.859 0.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -34.014 1.817 -42.159 0.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -40.063 4.320 -38.304 0.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -39.878 3.986 -37.426 0.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -39.216 4.629 -38.626 0.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -37.718 5.605 -39.060 0.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -37.041 4.973 -39.300 0.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -37.396 6.007 -38.252 0.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -34.862 6.113 -41.770 0.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -35.044 7.029 -41.981 0.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -34.686 5.703 -42.617 0.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -40.643 -0.878 -25.196 0.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -40.339 -1.564 -25.790 0.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -39.921 -0.760 -24.578 0.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -31.980 -9.277 -24.335 0.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -31.931 -8.667 -23.599 0.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -31.554 -8.816 -25.058 0.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -42.571 -4.436 -27.618 0.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -41.955 -4.962 -27.109 0.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -43.157 -5.076 -28.022 0.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -42.968 -1.789 -23.234 0.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -43.708 -1.191 -23.131 0.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -42.254 -1.235 -23.550 0.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -34.861 -8.961 -27.214 0.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -35.076 -9.727 -26.682 0.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -34.205 -8.489 -26.701 0.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -34.514 -10.246 -23.535 0.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -35.250 -9.635 -23.573 0.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -33.830 -9.831 -24.061 0.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -39.190 -4.864 -34.530 0.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -38.489 -4.842 -33.879 0.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -38.888 -5.492 -35.186 0.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -44.193 -2.482 -28.734 0.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -44.523 -2.852 -29.553 0.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -43.605 -3.152 -28.388 0.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -42.826 0.946 -26.053 0.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -42.921 0.368 -26.810 0.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -42.097 0.575 -25.557 0.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -43.826 -3.713 -25.101 0.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -43.261 -3.592 -25.864 0.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -43.507 -3.076 -24.462 0.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -42.946 0.686 -20.384 0.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -43.258 1.468 -19.928 0.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -43.596 0.533 -21.070 0.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -39.241 2.787 -29.497 0.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -38.767 3.082 -28.719 0.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -39.804 3.525 -29.730 0.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -39.579 -11.534 -21.917 0.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -39.159 -11.949 -21.164 0.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -40.512 -11.712 -21.800 0.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -35.490 -2.917 -35.302 0.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -35.448 -3.140 -36.232 0.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -34.641 -2.519 -35.112 0.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -39.917 -9.041 -34.632 0.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -40.171 -9.022 -33.709 0.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -40.174 -9.913 -34.933 0.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -44.154 -6.069 -29.284 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -45.047 -6.410 -29.343 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -43.703 -6.446 -30.040 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -39.516 -5.478 -18.979 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -40.079 -6.182 -18.659 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -38.690 -5.598 -18.512 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -41.572 -8.642 -28.198 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -42.483 -8.585 -27.909 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -41.067 -8.702 -27.387 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -43.091 -7.013 -31.715 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -42.159 -6.884 -31.537 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -43.306 -6.343 -32.364 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -37.167 -9.407 -24.934 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -37.844 -9.276 -24.270 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -37.653 -9.562 -25.744 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -40.252 -5.854 -26.311 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -39.688 -6.401 -26.858 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -40.400 -6.376 -25.522 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -41.626 -7.466 -23.897 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -42.461 -7.012 -23.787 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -41.102 -7.190 -23.145 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -41.082 -1.253 -32.212 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -41.826 -1.760 -32.535 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -41.216 -1.204 -31.266 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -37.184 -8.439 -34.013 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -38.122 -8.327 -34.164 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -36.887 -7.582 -33.707 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -38.956 0.206 -33.187 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -39.251 1.032 -32.805 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -39.659 -0.414 -32.991 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -41.932 -3.980 -18.915 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -42.228 -4.146 -19.810 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -41.001 -4.200 -18.925 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -31.581 -6.362 -32.658 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -32.135 -6.758 -33.330 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -31.480 -5.452 -32.935 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -43.582 1.560 -29.038 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -43.055 2.333 -29.239 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -44.462 1.785 -29.340 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -42.155 -0.777 -29.462 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -42.396 0.148 -29.420 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -42.895 -1.236 -29.066 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -41.640 3.372 -23.147 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -41.277 4.227 -23.380 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -41.108 3.080 -22.406 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -43.471 4.245 -29.917 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -44.421 4.350 -29.865 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -43.120 5.065 -29.572 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -35.893 0.400 -34.372 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -35.540 0.020 -33.568 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -36.842 0.307 -34.286 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -35.027 -0.927 -32.146 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -35.304 -1.655 -31.590 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -34.100 -0.808 -31.940 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -38.580 -9.003 -22.680 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -37.882 -8.929 -22.030 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -38.961 -9.867 -22.525 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -37.796 -9.351 -31.583 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -37.576 -8.879 -32.386 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -37.238 -8.956 -30.912 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -40.127 2.780 -32.720 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -40.944 3.277 -32.667 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -39.598 3.255 -33.360 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -40.596 -7.623 -30.748 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -39.784 -7.119 -30.702 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -40.841 -7.768 -29.834 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -40.060 -6.637 -21.563 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -39.941 -6.063 -20.806 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -39.405 -7.325 -21.448 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -39.712 -10.542 -29.810 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -40.059 -9.924 -29.165 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -39.054 -10.041 -30.291 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -42.789 3.823 -32.738 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -42.628 4.623 -33.239 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -42.986 4.130 -31.853 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -39.764 3.375 -35.787 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -40.408 2.744 -35.465 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -39.002 2.844 -36.019 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -35.160 3.192 -35.553 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -34.877 2.398 -35.100 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -34.420 3.425 -36.114 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -41.891 -1.272 -18.395 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -42.219 -1.001 -19.253 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -41.739 -2.213 -18.483 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -38.853 0.149 -35.960 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -39.121 0.329 -35.059 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -39.059 -0.777 -36.091 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -43.056 -2.926 -33.390 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -43.515 -3.410 -32.704 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -42.801 -3.594 -34.026 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -43.767 -5.033 -21.034 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -44.385 -4.358 -20.753 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -43.423 -4.712 -21.867 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -41.985 -4.683 -35.127 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -42.165 -4.837 -36.055 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -41.034 -4.575 -35.083 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -32.595 -2.328 -35.682 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -32.868 -2.753 -36.495 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -32.555 -1.397 -35.899 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -41.433 -3.869 -22.219 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -40.682 -4.025 -22.792 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -41.772 -3.017 -22.495 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -40.945 -7.530 -18.464 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -41.181 -7.750 -17.562 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -41.728 -7.737 -18.973 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -38.229 -8.403 -19.388 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -39.177 -8.371 -19.256 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -37.917 -9.028 -18.734 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -36.595 -9.769 -17.383 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -36.692 -10.721 -17.389 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -36.917 -9.500 -16.522 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -42.087 6.008 -34.126 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -41.154 6.166 -33.982 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -42.351 6.683 -34.751 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -31.474 -3.505 -33.492 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -31.995 -3.148 -34.211 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -31.507 -2.830 -32.814 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -33.125 -6.265 -34.941 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -33.028 -5.598 -35.621 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -33.265 -7.081 -35.423 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -33.877 -8.857 -35.824 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -33.267 -9.229 -35.187 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -34.714 -9.279 -35.628 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -33.633 -6.721 -25.422 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -32.700 -6.509 -25.456 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -33.868 -6.619 -24.499 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -31.321 -12.004 -17.292 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -30.971 -12.658 -17.898 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -31.174 -11.167 -17.732 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -33.631 -10.039 -30.809 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -33.449 -10.488 -29.984 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -34.231 -10.624 -31.273 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -44.374 2.921 -22.407 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -44.799 3.730 -22.690 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -43.469 3.006 -22.709 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -40.063 4.320 -19.448 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -39.878 3.986 -18.570 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -39.216 4.629 -19.770 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -32.800 -11.805 -21.124 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -33.613 -11.480 -21.512 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -32.567 -12.565 -21.657 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -42.879 3.980 -25.946 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -42.666 3.092 -26.233 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -42.814 3.946 -24.991 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -39.370 -10.356 -26.801 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -40.045 -10.985 -26.546 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -38.806 -10.840 -27.404 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -32.501 -11.110 -28.355 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -31.889 -11.624 -28.882 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -32.118 -10.232 -28.332 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -36.907 -11.765 -27.517 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -36.831 -11.670 -28.466 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -37.183 -12.673 -27.388 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -35.554 -11.739 -31.824 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -36.257 -11.125 -32.034 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -35.999 -12.577 -31.693 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -41.320 -9.715 -32.276 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -41.142 -10.361 -31.593 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -41.374 -8.881 -31.809 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -36.691 -12.525 -17.744 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -36.615 -12.951 -16.890 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -35.798 -12.511 -18.086 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -37.965 -2.566 -10.165 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -37.876 -1.622 -10.297 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -38.604 -2.841 -10.823 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -35.326 -0.372 -8.444 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -35.767 -1.092 -7.994 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -35.339 0.349 -7.814 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -31.980 -9.277 -5.479 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -31.931 -8.667 -4.743 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -31.554 -8.816 -6.202 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -37.502 -6.484 -6.012 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -37.359 -7.431 -5.992 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -37.608 -6.277 -6.941 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -36.625 -8.252 -10.339 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -35.979 -8.581 -9.714 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -36.115 -7.734 -10.962 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -31.588 -7.799 -3.243 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -32.277 -7.141 -3.338 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -31.573 -7.996 -2.306 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -38.168 0.035 -11.122 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -38.464 -0.287 -11.973 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -38.492 0.935 -11.080 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -34.861 -8.961 -8.358 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -35.076 -9.727 -7.826 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -34.205 -8.489 -7.845 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -34.814 1.468 -6.096 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -35.756 1.526 -5.935 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -34.538 2.374 -6.233 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -34.514 -10.246 -4.679 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -35.250 -9.635 -4.717 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -33.830 -9.831 -5.205 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -36.562 3.249 -9.471 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -36.137 2.542 -9.956 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -36.245 4.050 -9.888 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -35.403 1.150 -10.962 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -35.660 0.460 -11.574 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -35.332 0.707 -10.117 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -33.717 -0.284 -2.485 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -33.577 -0.875 -3.224 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -33.549 0.589 -2.841 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -39.244 -3.322 -12.713 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -39.956 -2.787 -13.064 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -38.553 -3.266 -13.373 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -39.190 -4.864 -15.674 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -38.489 -4.842 -15.023 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -38.888 -5.492 -16.330 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -31.875 -3.944 -4.419 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -32.527 -3.249 -4.330 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -31.410 -3.734 -5.229 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -35.838 -3.112 -11.761 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -36.570 -2.884 -11.188 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -35.391 -3.826 -11.306 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -33.269 -12.200 -14.263 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -34.168 -12.061 -13.968 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -33.017 -11.369 -14.665 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -39.769 5.743 -12.226 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -39.844 5.622 -13.172 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -39.736 6.693 -12.107 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -36.667 4.897 -15.223 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -36.292 4.153 -15.694 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -36.663 4.627 -14.305 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -36.998 4.823 -12.474 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -37.933 4.923 -12.295 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -36.718 4.114 -11.896 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -39.917 -9.041 -15.776 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -40.171 -9.022 -14.853 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -40.174 -9.913 -16.077 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -38.618 -5.653 -11.611 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -39.027 -4.838 -11.903 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -37.898 -5.793 -12.226 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -37.614 -6.207 -8.797 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -37.809 -5.602 -9.512 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -37.432 -7.041 -9.232 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -41.082 -1.253 -13.356 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -41.826 -1.760 -13.679 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -41.216 -1.204 -12.410 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -33.932 -2.120 -4.570 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -33.290 -1.663 -5.113 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -34.762 -2.007 -5.032 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -37.184 -8.439 -15.157 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -38.122 -8.327 -15.308 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -36.887 -7.582 -14.851 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -38.956 0.206 -14.331 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -39.251 1.032 -13.949 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -39.659 -0.414 -14.135 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -33.285 2.424 -13.337 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -33.658 1.598 -13.027 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -33.008 2.241 -14.234 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -36.125 -2.768 -6.315 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -37.053 -3.000 -6.342 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -35.674 -3.545 -6.645 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -41.802 1.512 -17.069 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -41.563 0.764 -17.617 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -42.071 1.124 -16.237 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -37.796 -9.351 -12.727 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -37.576 -8.879 -13.530 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -37.238 -8.956 -12.056 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -40.127 2.780 -13.864 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -40.944 3.277 -13.811 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -39.598 3.255 -14.504 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -40.596 -7.623 -11.892 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -39.784 -7.119 -11.846 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -40.841 -7.768 -10.978 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -35.254 -4.979 -7.776 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -36.051 -5.394 -8.105 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -34.809 -5.670 -7.285 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -34.167 4.277 -6.154 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -34.323 4.955 -6.811 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -33.235 4.349 -5.951 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -39.764 3.375 -16.931 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -40.408 2.744 -16.609 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -39.002 2.844 -17.163 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -38.853 0.149 -17.104 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -39.121 0.329 -16.203 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -39.059 -0.777 -17.235 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -43.056 -2.926 -14.534 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -43.515 -3.410 -13.848 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -42.801 -3.594 -15.170 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -41.985 -4.683 -16.271 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -42.165 -4.837 -17.199 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -41.034 -4.575 -16.227 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -42.087 6.008 -15.270 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -41.154 6.166 -15.126 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -42.351 6.683 -15.895 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -31.451 4.927 -5.925 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -31.473 5.112 -4.986 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -30.761 5.496 -6.266 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -31.888 4.494 -3.003 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -32.375 3.759 -3.374 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -31.339 4.101 -2.325 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -33.496 2.257 -3.772 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -34.144 2.582 -3.147 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -34.014 1.817 -4.447 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -33.633 -6.721 -6.566 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -32.700 -6.509 -6.600 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -33.868 -6.619 -5.643 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -33.604 -5.984 -3.790 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -34.447 -5.716 -3.424 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -33.161 -5.162 -4.001 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -34.713 5.017 -10.353 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -34.060 4.670 -10.961 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -34.202 5.506 -9.707 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -34.228 -12.249 -7.833 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -33.624 -11.701 -8.334 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -35.097 -11.929 -8.073 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -36.907 -11.765 -8.661 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -36.831 -11.670 -9.610 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -37.183 -12.673 -8.532 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -35.554 -11.739 -12.968 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -36.257 -11.125 -13.178 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -35.999 -12.577 -12.837 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -39.442 5.234 -15.025 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -38.576 5.600 -15.203 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -39.689 4.794 -15.838 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -31.980 9.579 -43.191 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -31.931 10.189 -42.455 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -31.554 10.040 -43.914 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -31.588 11.057 -40.955 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -32.277 11.715 -41.050 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -31.573 10.860 -40.018 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -34.514 8.610 -42.391 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -35.250 9.221 -42.429 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -33.830 9.025 -42.917 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -33.717 18.572 -40.197 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -33.577 17.981 -40.936 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -33.549 19.445 -40.553 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -31.162 21.253 -38.620 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -31.211 20.298 -38.657 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -31.988 21.521 -38.218 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -34.010 12.746 -38.140 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -34.417 13.227 -38.860 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -33.969 11.841 -38.447 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -36.253 11.078 -39.919 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -36.767 10.952 -39.122 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -36.408 11.990 -40.164 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -33.880 25.121 -37.513 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -33.680 25.545 -38.348 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -33.224 25.464 -36.906 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -31.617 18.294 -38.677 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -32.469 18.532 -39.044 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -31.027 18.277 -39.430 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -33.856 10.126 -39.584 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -34.772 10.389 -39.672 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -33.520 10.123 -40.481 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -37.279 21.103 -37.289 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -37.630 20.247 -37.046 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -36.553 21.246 -36.682 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -37.017 12.802 -36.047 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -36.825 11.871 -36.158 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -36.160 13.227 -36.057 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -35.701 15.591 -37.969 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -35.982 16.300 -38.547 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -34.758 15.518 -38.120 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -40.945 11.326 -37.320 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -41.181 11.106 -36.418 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -41.728 11.119 -37.829 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -38.229 10.453 -38.244 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -39.177 10.485 -38.112 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -37.917 9.828 -37.590 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -41.987 6.298 -38.212 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -41.275 5.658 -38.226 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -42.088 6.565 -39.126 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -41.634 7.981 -36.158 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -41.765 7.505 -36.979 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -42.233 8.725 -36.214 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -33.099 15.941 -38.537 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -32.516 15.207 -38.346 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -32.535 16.713 -38.491 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -31.602 13.844 -37.853 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -32.465 13.465 -38.018 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -30.998 13.105 -37.927 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -32.800 7.051 -39.980 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -33.613 7.376 -40.368 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -32.567 6.291 -40.513 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -33.515 22.404 -37.907 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -34.297 22.218 -38.427 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -33.587 23.333 -37.690 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -45.740 19.610 -25.474 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -46.110 18.808 -25.843 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -44.799 19.441 -25.427 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -38.215 23.589 -27.088 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -37.595 22.912 -27.361 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -38.423 23.371 -26.180 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -44.347 10.473 -27.596 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -44.304 11.333 -28.014 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -44.805 9.921 -28.229 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -42.571 14.420 -27.618 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -41.955 13.894 -27.109 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -43.157 13.780 -28.022 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -42.968 17.067 -23.234 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -43.708 17.665 -23.131 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -42.254 17.621 -23.550 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -44.560 19.031 -22.447 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -44.566 19.910 -22.825 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -45.414 18.948 -22.022 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -41.511 6.697 -26.069 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -41.628 5.748 -26.123 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -42.366 7.029 -25.796 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -36.562 22.105 -28.327 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -36.137 21.398 -28.812 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -36.245 22.906 -28.744 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -39.244 15.534 -31.569 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -39.956 16.069 -31.920 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -38.553 15.590 -32.229 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -39.190 13.992 -34.530 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -38.489 14.014 -33.879 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -38.888 13.364 -35.186 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -35.838 15.744 -30.617 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -36.570 15.972 -30.044 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -35.391 15.030 -30.162 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -44.193 16.374 -28.734 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -44.523 16.004 -29.553 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -43.605 15.704 -28.388 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -42.826 19.802 -26.053 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -42.921 19.224 -26.810 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -42.097 19.431 -25.557 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -43.826 15.143 -25.101 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -43.261 15.264 -25.864 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -43.507 15.780 -24.462 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -42.946 19.542 -20.384 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -43.258 20.324 -19.928 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -43.596 19.389 -21.070 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -36.967 14.906 -32.932 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -36.388 15.056 -32.185 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -36.553 15.377 -33.655 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -39.241 21.643 -29.497 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -38.767 21.938 -28.719 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -39.804 22.381 -29.730 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -45.203 15.444 -31.145 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -45.495 16.212 -31.636 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -45.877 14.784 -31.308 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -40.183 20.827 -20.888 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -40.096 21.653 -20.413 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -41.047 20.497 -20.639 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -36.667 23.753 -34.079 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -36.292 23.009 -34.550 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -36.663 23.483 -33.161 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -36.998 23.679 -31.330 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -37.933 23.779 -31.151 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -36.718 22.970 -30.752 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -44.242 7.600 -25.291 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -45.103 7.513 -25.699 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -44.264 8.456 -24.864 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -39.579 7.322 -21.917 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -39.159 6.907 -21.164 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -40.512 7.144 -21.800 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -35.490 15.939 -35.302 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -35.448 15.716 -36.232 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -34.641 16.337 -35.112 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -39.917 9.815 -34.632 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -40.171 9.834 -33.709 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -40.174 8.943 -34.933 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -44.151 12.566 -24.196 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -44.793 12.525 -23.487 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -44.114 13.492 -24.434 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -44.154 12.787 -29.284 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -45.047 12.446 -29.343 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -43.703 12.410 -30.040 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -38.618 13.203 -30.467 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -39.027 14.018 -30.759 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -37.898 13.063 -31.082 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -43.035 10.260 -35.531 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -43.466 9.815 -34.801 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -43.753 10.632 -36.043 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -41.572 10.214 -28.198 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -42.483 10.271 -27.909 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -41.067 10.154 -27.387 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -43.091 11.843 -31.715 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -42.159 11.972 -31.537 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -43.306 12.513 -32.364 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -33.880 25.121 -18.657 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -33.680 25.545 -19.492 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -33.224 25.464 -18.050 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -41.626 11.390 -23.897 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -42.461 11.844 -23.787 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -41.102 11.666 -23.145 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -41.082 17.603 -32.212 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -41.826 17.096 -32.535 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -41.216 17.652 -31.266 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -36.466 12.284 -32.352 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -35.574 12.147 -32.033 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -36.409 13.075 -32.889 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -45.957 16.898 -26.443 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -45.212 16.896 -27.044 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -45.879 16.074 -25.961 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -38.956 19.062 -33.187 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -39.251 19.888 -32.805 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -39.659 18.442 -32.991 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -41.932 14.876 -18.915 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -42.228 14.710 -19.810 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -41.001 14.656 -18.925 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -31.581 12.494 -32.658 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -32.135 12.098 -33.330 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -31.480 13.404 -32.935 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -43.582 20.416 -29.038 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -43.055 21.189 -29.239 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -44.462 20.641 -29.340 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -42.155 18.079 -29.462 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -42.396 19.004 -29.420 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -42.895 17.620 -29.066 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -41.640 22.228 -23.147 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -41.277 23.083 -23.380 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -41.108 21.936 -22.406 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -35.893 19.256 -34.372 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -35.540 18.876 -33.568 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -36.842 19.163 -34.286 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -35.437 22.879 -20.977 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -36.039 22.324 -21.472 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -35.156 23.546 -21.603 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -31.389 23.736 -34.171 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -30.646 24.322 -34.311 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -32.084 24.304 -33.838 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -35.027 17.929 -32.146 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -35.304 17.201 -31.590 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -34.100 18.048 -31.940 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -42.865 19.938 -33.469 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -42.718 19.418 -32.679 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -42.868 20.845 -33.163 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -40.127 21.636 -32.720 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -40.944 22.133 -32.667 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -39.598 22.111 -33.360 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -40.596 11.233 -30.748 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -39.784 11.737 -30.702 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -40.841 11.088 -29.834 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -39.712 8.314 -29.810 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -40.059 8.932 -29.165 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -39.054 8.815 -30.291 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -44.055 9.377 -33.122 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -44.138 10.266 -32.776 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -43.165 9.112 -32.891 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -34.167 23.133 -25.010 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -34.323 23.811 -25.667 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -33.235 23.205 -24.807 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -37.279 21.103 -18.433 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -37.630 20.247 -18.190 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -36.553 21.246 -17.826 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -35.160 22.048 -35.553 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -34.877 21.254 -35.100 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -34.420 22.281 -36.114 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -41.891 17.584 -18.395 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -42.219 17.855 -19.253 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -41.739 16.643 -18.483 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -38.853 19.005 -35.960 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -39.121 19.185 -35.059 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -39.059 18.079 -36.091 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -43.056 15.930 -33.390 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -43.515 15.446 -32.704 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -42.801 15.262 -34.026 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -43.767 13.823 -21.034 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -44.385 14.498 -20.753 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -43.423 14.144 -21.867 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -32.595 16.528 -35.682 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -32.868 16.103 -36.495 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -32.555 17.459 -35.899 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -43.427 11.178 -19.951 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -43.277 10.449 -20.554 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -43.425 11.955 -20.510 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -43.015 9.548 -22.459 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -42.479 9.999 -23.111 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -43.867 9.440 -22.881 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -44.949 12.376 -18.040 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -45.716 11.844 -18.250 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -44.270 12.066 -18.639 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -42.209 7.004 -22.027 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -42.307 7.951 -22.133 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -42.952 6.632 -22.503 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -41.987 6.298 -19.356 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -41.275 5.658 -19.370 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -42.088 6.565 -20.270 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -41.634 7.981 -17.302 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -41.765 7.505 -18.123 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -42.233 8.725 -17.358 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -31.451 23.783 -24.781 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -31.473 23.968 -23.842 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -30.761 24.352 -25.122 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -33.125 12.591 -34.941 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -33.028 13.258 -35.621 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -33.265 11.775 -35.423 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -34.245 11.554 -30.858 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -33.965 10.647 -30.733 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -33.486 11.988 -31.247 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -34.713 23.873 -29.209 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -34.060 23.526 -29.817 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -34.202 24.362 -28.563 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -44.374 21.777 -22.407 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -44.799 22.586 -22.690 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -43.469 21.862 -22.709 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -40.063 23.176 -19.448 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -39.878 22.842 -18.570 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -39.216 23.485 -19.770 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -37.718 24.461 -20.204 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -37.041 23.829 -20.444 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -37.396 24.863 -19.396 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -39.794 24.521 -24.154 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -40.251 25.050 -24.808 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -39.631 25.124 -23.429 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -37.467 23.399 -23.209 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -38.371 23.564 -23.475 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -37.038 24.252 -23.275 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -34.862 24.969 -22.914 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -35.044 25.885 -23.125 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -34.686 24.559 -23.761 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -42.879 22.836 -25.946 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -42.666 21.948 -26.233 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -42.814 22.802 -24.991 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -42.464 7.061 -29.166 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -41.590 7.449 -29.196 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -42.600 6.846 -28.243 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -41.320 9.141 -32.276 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -41.142 8.495 -31.593 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -41.374 9.975 -31.809 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -32.733 23.653 -31.201 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -32.927 22.905 -31.766 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -32.772 24.411 -31.785 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -31.980 9.579 -5.479 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -31.931 10.189 -4.743 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -31.554 10.040 -6.202 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -36.625 10.604 -10.339 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -35.979 10.275 -9.714 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -36.115 11.122 -10.962 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -34.861 9.895 -8.358 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -35.076 9.129 -7.826 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -34.205 10.367 -7.845 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -39.244 15.534 -12.713 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -39.956 16.069 -13.064 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -38.553 15.590 -13.373 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -39.190 13.992 -15.674 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -38.489 14.014 -15.023 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -38.888 13.364 -16.330 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -35.838 15.744 -11.761 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -36.570 15.972 -11.188 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -35.391 15.030 -11.306 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -36.967 14.906 -14.076 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -36.388 15.056 -13.329 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -36.553 15.377 -14.799 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -32.079 21.022 -15.886 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -32.006 21.961 -15.716 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -31.174 20.717 -15.943 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -36.667 23.753 -15.223 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -36.292 23.009 -15.694 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -36.663 23.483 -14.305 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -39.917 9.815 -15.776 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -40.171 9.834 -14.853 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -40.174 8.943 -16.077 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -43.035 10.260 -16.675 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -43.466 9.815 -15.945 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -43.753 10.632 -17.187 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -44.417 13.038 -15.292 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -44.959 12.658 -15.983 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -43.583 13.232 -15.721 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -36.466 12.284 -13.496 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -35.574 12.147 -13.177 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -36.409 13.075 -14.033 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -38.956 19.062 -14.331 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -39.251 19.888 -13.949 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -39.659 18.442 -14.135 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -31.581 12.494 -13.802 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -32.135 12.098 -14.474 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -31.480 13.404 -14.079 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -33.285 21.280 -13.337 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -33.658 20.454 -13.027 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -33.008 21.097 -14.234 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -35.893 19.256 -15.516 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -35.540 18.876 -14.712 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -36.842 19.163 -15.430 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -31.389 23.736 -15.315 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -30.646 24.322 -15.455 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -32.084 24.304 -14.982 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -35.027 17.929 -13.290 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -35.304 17.201 -12.734 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -34.100 18.048 -13.084 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -41.802 20.368 -17.069 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -41.563 19.620 -17.617 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -42.071 19.980 -16.237 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -37.796 9.505 -12.727 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -37.576 9.977 -13.530 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -37.238 9.900 -12.056 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -40.596 11.233 -11.892 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -39.784 11.737 -11.846 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -40.841 11.088 -10.978 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -39.712 8.314 -10.954 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -40.059 8.932 -10.309 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -39.054 8.815 -11.435 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -35.160 22.048 -16.697 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -34.877 21.254 -16.244 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -34.420 22.281 -17.258 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -38.853 19.005 -17.104 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -39.121 19.185 -16.203 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -39.059 18.079 -17.235 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -41.985 14.173 -16.271 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -42.165 14.019 -17.199 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -41.034 14.281 -16.227 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -32.136 17.397 -12.851 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -31.286 17.818 -12.723 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -32.131 16.657 -12.243 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -31.742 15.450 -11.027 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -32.468 14.971 -10.629 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -31.161 15.656 -10.295 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -33.955 13.971 -10.464 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -34.105 13.026 -10.484 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -34.309 14.252 -9.620 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -34.245 11.554 -12.002 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -33.965 10.647 -11.877 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -33.486 11.988 -12.391 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -33.631 8.817 -11.953 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -33.449 8.368 -11.128 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -34.231 8.232 -12.417 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -34.228 6.607 -7.833 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -33.624 7.155 -8.334 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -35.097 6.927 -8.073 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -32.501 7.746 -9.499 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -31.889 7.232 -10.026 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -32.118 8.624 -9.476 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -35.554 7.117 -12.968 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -36.257 7.731 -13.178 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -35.999 6.279 -12.837 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -41.320 9.141 -13.420 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -41.142 8.495 -12.737 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -41.374 9.975 -12.953 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -31.321 25.708 -36.148 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -30.971 25.054 -36.754 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -31.174 26.545 -36.588 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -33.269 25.512 -33.119 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -34.168 25.651 -32.824 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -33.017 26.343 -33.521 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -31.321 25.708 -17.292 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -30.971 25.054 -17.898 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -31.174 26.545 -17.732 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -32.800 25.907 -21.124 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -33.613 26.232 -21.512 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -32.567 25.147 -21.657 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -34.228 25.463 -26.689 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -33.624 26.011 -27.190 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -35.097 25.783 -26.929 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -36.907 25.947 -27.517 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -36.831 26.042 -28.466 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -37.183 25.039 -27.388 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -35.554 25.973 -31.824 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -36.257 26.587 -32.034 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -35.999 25.135 -31.693 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -36.691 25.187 -17.744 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -36.615 24.761 -16.890 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -35.798 25.201 -18.086 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -19.359 -14.123 -45.944 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -18.739 -14.800 -46.217 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -19.567 -14.341 -45.036 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -15.958 -17.388 -43.808 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -16.900 -17.330 -43.647 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -15.682 -16.482 -43.945 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -17.706 -15.607 -47.183 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -17.281 -16.314 -47.668 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -17.389 -14.806 -47.600 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -14.861 -19.140 -40.197 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -14.721 -19.731 -40.936 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -14.693 -18.267 -40.553 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -18.661 -17.066 -43.223 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -18.902 -16.404 -42.575 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -18.859 -17.900 -42.798 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -24.090 -18.170 -39.240 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -24.402 -17.388 -38.784 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -24.740 -18.323 -39.926 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -25.851 -16.098 -38.476 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -25.843 -16.234 -39.424 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -26.767 -16.216 -38.224 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -12.306 -16.459 -38.620 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -12.355 -17.414 -38.657 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -13.132 -16.191 -38.218 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -21.327 -16.885 -39.744 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -21.240 -16.059 -39.269 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -22.191 -17.215 -39.495 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -20.706 -19.925 -39.831 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -21.052 -20.306 -39.025 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -20.906 -18.991 -39.760 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -12.761 -19.418 -38.677 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -13.613 -19.180 -39.044 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -12.171 -19.435 -39.430 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -22.784 -15.484 -42.003 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -22.421 -14.629 -42.236 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -22.252 -15.776 -41.262 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -19.240 -19.385 -42.302 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -19.666 -19.612 -41.476 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -18.659 -20.123 -42.485 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -25.000 -14.989 -36.018 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -24.232 -15.448 -35.677 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -25.021 -15.215 -36.948 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -23.035 -20.128 -37.251 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -23.363 -19.857 -38.109 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -22.883 -21.069 -37.339 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -17.300 -20.212 -39.868 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -16.555 -19.624 -39.988 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -18.057 -19.630 -39.805 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -19.891 -21.418 -36.612 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -18.938 -21.334 -36.640 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -20.051 -22.129 -35.993 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -18.161 -24.910 -36.047 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -17.969 -25.841 -36.158 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -17.304 -24.485 -36.057 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -16.845 -22.121 -37.969 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -17.126 -21.412 -38.547 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -15.902 -22.194 -38.120 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -13.127 -19.477 -43.791 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -12.293 -19.855 -44.072 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -13.015 -18.534 -43.910 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -14.640 -16.599 -41.484 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -15.288 -16.274 -40.859 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -15.158 -17.039 -42.159 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -14.243 -21.771 -38.537 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -13.660 -22.505 -38.346 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -13.679 -20.999 -38.491 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -15.857 -13.839 -48.065 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -15.204 -14.186 -48.673 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -15.346 -13.350 -47.419 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -25.649 -13.079 -42.186 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -26.514 -13.007 -41.782 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -25.704 -12.532 -42.970 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -20.938 -13.191 -43.010 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -21.395 -12.662 -43.664 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -20.775 -12.588 -42.285 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -18.611 -14.313 -42.065 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -19.515 -14.148 -42.331 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -18.182 -13.460 -42.131 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -13.877 -14.059 -50.057 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -14.071 -14.807 -50.622 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -13.916 -13.301 -50.641 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -20.176 -22.167 -25.602 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -20.214 -22.813 -24.897 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -20.499 -22.633 -26.373 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -26.884 -18.102 -25.474 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -27.254 -18.904 -25.843 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -25.943 -18.271 -25.427 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -19.359 -14.123 -27.088 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -18.739 -14.800 -27.361 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -19.567 -14.341 -26.180 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -21.787 -19.734 -25.196 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -21.483 -20.420 -25.790 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -21.065 -19.616 -24.578 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -18.646 -25.340 -24.868 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -18.503 -26.287 -24.848 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -18.752 -25.133 -25.797 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -17.769 -27.108 -29.195 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -17.123 -27.437 -28.570 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -17.259 -26.590 -29.818 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -23.715 -23.292 -27.618 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -23.099 -23.818 -27.109 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -24.301 -23.932 -28.022 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -24.112 -20.645 -23.234 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -24.852 -20.047 -23.131 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -23.398 -20.091 -23.550 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -16.005 -27.817 -27.214 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -16.220 -28.583 -26.682 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -15.349 -27.345 -26.701 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -29.583 -19.010 -31.665 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -29.855 -18.781 -32.554 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -29.538 -18.172 -31.205 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -14.861 -19.140 -21.341 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -14.721 -19.731 -22.080 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -14.693 -18.267 -21.697 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -20.334 -23.720 -34.530 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -19.633 -23.698 -33.879 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -20.032 -24.348 -35.186 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -13.019 -22.800 -23.275 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -13.671 -22.105 -23.186 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -12.554 -22.590 -24.085 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -25.337 -21.338 -28.734 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -25.667 -21.708 -29.553 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -24.749 -22.008 -28.388 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -23.970 -17.910 -26.053 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -24.065 -18.488 -26.810 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -23.241 -18.281 -25.557 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -24.970 -22.569 -25.101 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -24.405 -22.448 -25.864 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -24.651 -21.932 -24.462 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -18.661 -17.066 -24.367 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -18.902 -16.404 -23.719 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -18.859 -17.900 -23.942 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -24.090 -18.170 -20.384 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -24.402 -17.388 -19.928 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -24.740 -18.323 -21.070 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -18.111 -22.806 -32.932 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -17.532 -22.656 -32.185 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -17.697 -22.335 -33.655 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -25.851 -16.098 -19.620 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -25.843 -16.234 -20.568 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -26.767 -16.216 -19.368 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -26.347 -22.268 -31.145 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -26.639 -21.500 -31.636 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -27.021 -22.928 -31.308 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -12.306 -16.459 -19.764 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -12.355 -17.414 -19.801 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -13.132 -16.191 -19.362 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -21.327 -16.885 -20.888 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -21.240 -16.059 -20.413 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -22.191 -17.215 -20.639 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -27.259 -14.324 -29.301 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -27.107 -14.672 -28.422 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -28.110 -14.680 -29.556 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -16.634 -21.773 -35.302 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -16.592 -21.996 -36.232 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -15.785 -21.375 -35.112 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -25.298 -24.925 -29.284 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -26.191 -25.266 -29.343 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -24.847 -25.302 -30.040 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -19.762 -24.509 -30.467 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -20.171 -23.694 -30.759 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -19.042 -24.649 -31.082 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -18.758 -25.063 -27.653 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -18.953 -24.458 -28.368 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -18.576 -25.897 -28.088 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -19.494 -23.425 -22.982 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -19.170 -24.056 -23.625 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -19.934 -23.960 -22.321 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -21.396 -24.710 -26.311 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -20.832 -25.257 -26.858 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -21.544 -25.232 -25.522 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -15.076 -20.976 -23.426 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -14.434 -20.519 -23.969 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -15.906 -20.863 -23.888 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -18.328 -27.295 -34.013 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -19.266 -27.183 -34.164 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -18.031 -26.438 -33.707 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -20.706 -19.925 -20.975 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -21.052 -20.306 -20.169 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -20.906 -18.991 -20.904 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -17.610 -25.428 -32.352 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -16.718 -25.565 -32.033 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -17.553 -24.637 -32.889 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -27.101 -20.814 -26.443 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -26.356 -20.816 -27.044 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -27.023 -21.638 -25.961 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -18.456 -17.463 -21.025 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -19.357 -17.280 -21.293 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -18.422 -17.204 -20.104 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -12.725 -25.218 -32.658 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -13.279 -25.614 -33.330 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -12.624 -24.308 -32.935 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -17.269 -21.624 -25.171 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -18.197 -21.856 -25.198 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -16.818 -22.401 -25.501 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -22.784 -15.484 -23.147 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -22.421 -14.629 -23.380 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -22.252 -15.776 -22.406 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -19.240 -19.385 -23.446 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -19.666 -19.612 -22.620 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -18.659 -20.123 -23.629 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -16.581 -14.833 -20.977 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -17.183 -15.388 -21.472 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -16.300 -14.166 -21.603 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -22.946 -17.344 -35.925 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -22.707 -18.092 -36.473 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -23.215 -17.732 -35.093 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -27.556 -20.521 -32.959 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -28.242 -20.169 -32.392 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -27.033 -19.758 -33.205 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -18.940 -28.207 -31.583 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -18.720 -27.735 -32.386 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -18.382 -27.812 -30.912 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -21.740 -26.479 -30.748 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -20.928 -25.975 -30.702 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -21.985 -26.624 -29.834 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -23.933 -15.033 -32.738 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -23.772 -14.233 -33.239 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -24.130 -14.726 -31.853 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -26.940 -17.907 -34.062 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -26.348 -17.208 -33.786 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -26.481 -18.340 -34.781 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -28.886 -16.521 -30.112 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -29.718 -16.048 -30.085 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -28.340 -16.011 -30.711 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -29.597 -13.908 -18.782 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -29.057 -14.125 -18.023 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -30.078 -14.714 -18.972 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -18.423 -16.609 -18.433 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -18.774 -17.465 -18.190 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -17.697 -16.466 -17.826 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -25.349 -19.754 -35.696 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -25.285 -20.548 -35.165 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -24.696 -19.873 -36.385 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -17.300 -20.212 -21.012 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -16.555 -19.624 -21.132 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -18.057 -19.630 -20.949 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -24.200 -21.782 -33.390 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -24.659 -22.266 -32.704 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -23.945 -22.450 -34.026 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -23.129 -23.539 -35.127 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -23.309 -23.693 -36.055 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -22.178 -23.431 -35.083 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -13.739 -21.184 -35.682 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -14.012 -21.609 -36.495 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -13.699 -20.253 -35.899 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -22.577 -22.725 -22.219 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -21.826 -22.881 -22.792 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -22.916 -21.873 -22.495 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -23.231 -12.848 -34.126 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -22.298 -12.690 -33.982 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -23.495 -12.173 -34.751 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -13.032 -14.362 -21.859 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -13.519 -15.097 -22.230 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -12.483 -14.755 -21.181 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -14.581 -18.572 -17.221 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -15.447 -18.677 -16.827 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -14.205 -17.813 -16.774 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -13.280 -20.315 -31.707 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -12.430 -19.894 -31.579 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -13.275 -21.055 -31.099 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -12.886 -22.262 -29.883 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -13.612 -22.741 -29.485 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -12.305 -22.056 -29.151 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -13.127 -19.477 -24.935 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -12.293 -19.855 -25.216 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -13.015 -18.534 -25.054 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -14.640 -16.599 -22.628 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -15.288 -16.274 -22.003 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -15.158 -17.039 -23.303 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -12.618 -22.361 -33.492 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -13.139 -22.004 -34.211 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -12.651 -21.686 -32.814 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -14.269 -25.121 -34.941 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -14.172 -24.454 -35.621 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -14.409 -25.937 -35.423 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -15.389 -26.158 -30.858 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -15.109 -27.065 -30.733 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -14.630 -25.724 -31.247 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -14.777 -25.577 -25.422 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -13.844 -25.365 -25.456 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -15.012 -25.475 -24.499 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -28.472 -16.910 -18.666 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -29.293 -16.735 -19.126 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -28.724 -16.983 -17.745 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -25.518 -15.935 -22.407 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -25.943 -15.126 -22.690 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -24.613 -15.850 -22.709 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -21.207 -14.536 -19.448 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -21.022 -14.870 -18.570 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -20.360 -14.227 -19.770 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -28.116 -12.679 -22.360 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -28.836 -12.239 -22.811 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -28.482 -12.930 -21.511 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -25.649 -13.079 -23.330 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -26.514 -13.007 -22.926 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -25.704 -12.532 -24.114 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -18.611 -14.313 -23.209 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -19.515 -14.148 -23.475 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -18.182 -13.460 -23.275 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -28.701 -14.056 -25.449 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -28.720 -14.481 -24.592 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -27.896 -14.374 -25.858 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -26.560 -15.346 -26.794 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -26.779 -16.262 -26.625 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -25.736 -15.206 -26.328 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -24.023 -14.876 -25.946 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -23.810 -15.764 -26.233 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -23.958 -14.910 -24.991 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -14.659 -15.308 -19.051 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -15.441 -15.494 -19.571 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -14.731 -14.379 -18.834 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -19.109 -21.422 -10.165 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -19.020 -20.478 -10.297 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -19.748 -21.697 -10.823 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -20.176 -22.167 -6.746 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -20.214 -22.813 -6.041 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -20.499 -22.633 -7.517 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -26.884 -18.102 -6.618 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -27.254 -18.904 -6.987 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -25.943 -18.271 -6.571 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -18.646 -25.340 -6.012 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -18.503 -26.287 -5.992 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -18.752 -25.133 -6.941 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -23.715 -23.292 -8.762 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -23.099 -23.818 -8.253 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -24.301 -23.932 -9.166 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -19.312 -18.821 -11.122 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -19.608 -19.143 -11.973 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -19.636 -17.921 -11.080 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -24.112 -20.645 -4.378 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -24.852 -20.047 -4.275 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -23.398 -20.091 -4.694 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -25.704 -18.681 -3.591 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -25.710 -17.802 -3.969 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -26.558 -18.764 -3.166 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -29.583 -19.010 -12.809 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -29.855 -18.781 -13.698 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -29.538 -18.172 -12.349 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -16.547 -17.706 -10.962 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -16.804 -18.396 -11.574 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -16.476 -18.149 -10.117 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -14.861 -19.140 -2.485 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -14.721 -19.731 -3.224 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -14.693 -18.267 -2.841 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -13.019 -22.800 -4.419 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -13.671 -22.105 -4.330 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -12.554 -22.590 -5.229 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -16.982 -21.968 -11.761 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -17.714 -21.740 -11.188 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -16.535 -22.682 -11.306 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -17.085 -23.794 -2.693 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -17.005 -23.031 -2.121 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -17.686 -23.515 -3.384 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -25.337 -21.338 -9.878 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -25.667 -21.708 -10.697 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -24.749 -22.008 -9.532 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -23.970 -17.910 -7.197 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -24.065 -18.488 -7.954 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -23.241 -18.281 -6.701 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -24.970 -22.569 -6.245 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -24.405 -22.448 -7.008 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -24.651 -21.932 -5.606 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -24.090 -18.170 -1.528 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -24.402 -17.388 -1.072 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -24.740 -18.323 -2.214 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -25.851 -16.098 -0.764 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -25.843 -16.234 -1.712 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -26.767 -16.216 -0.512 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -13.223 -16.690 -15.886 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -13.150 -15.751 -15.716 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -12.318 -16.995 -15.943 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -30.503 -17.125 -6.590 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -29.557 -17.269 -6.609 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -30.616 -16.341 -6.053 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -12.306 -16.459 -0.908 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -12.355 -17.414 -0.945 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -13.132 -16.191 -0.506 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -18.758 -25.063 -8.797 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -18.953 -24.458 -9.512 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -18.576 -25.897 -9.232 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -19.494 -23.425 -4.126 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -19.170 -24.056 -4.769 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -19.934 -23.960 -3.465 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -15.024 -12.591 0.199 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -14.824 -12.167 -0.636 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -14.368 -12.248 0.806 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -21.396 -24.710 -7.455 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -20.832 -25.257 -8.002 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -21.544 -25.232 -6.666 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -22.226 -20.109 -13.356 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -22.970 -20.616 -13.679 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -22.360 -20.060 -12.410 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -15.076 -20.976 -4.570 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -14.434 -20.519 -5.113 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -15.906 -20.863 -5.032 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -20.706 -19.925 -2.119 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -21.052 -20.306 -1.313 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -20.906 -18.991 -2.048 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -20.100 -18.650 -14.331 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -20.395 -17.824 -13.949 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -20.803 -19.270 -14.135 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -12.761 -19.418 -0.965 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -13.613 -19.180 -1.332 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -12.171 -19.435 -1.718 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -14.429 -16.432 -13.337 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -14.802 -17.258 -13.027 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -14.152 -16.615 -14.234 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -17.269 -21.624 -6.315 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -18.197 -21.856 -6.342 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -16.818 -22.401 -6.645 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -23.299 -19.633 -10.606 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -23.540 -18.708 -10.564 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -24.039 -20.092 -10.210 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -17.037 -18.456 -15.516 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -16.684 -18.836 -14.712 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -17.986 -18.549 -15.430 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -16.171 -19.783 -13.290 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -16.448 -20.511 -12.734 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -15.244 -19.664 -13.084 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -28.808 -15.795 -4.279 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -28.591 -16.727 -4.310 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -28.561 -15.521 -3.395 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -22.946 -17.344 -17.069 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -22.707 -18.092 -17.617 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -23.215 -17.732 -16.237 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -24.009 -17.774 -14.613 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -23.862 -18.294 -13.823 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -24.012 -16.867 -14.307 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -21.271 -16.076 -13.864 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -22.088 -15.579 -13.811 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -20.742 -15.601 -14.504 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -16.398 -23.835 -7.776 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -17.195 -24.250 -8.105 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -15.953 -24.526 -7.285 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -26.940 -17.907 -15.206 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -26.348 -17.208 -14.930 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -26.481 -18.340 -15.925 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -28.886 -16.521 -11.256 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -29.718 -16.048 -11.229 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -28.340 -16.011 -11.855 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -18.423 -16.609 0.423 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -18.774 -17.465 0.666 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -17.697 -16.466 1.030 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -16.304 -15.664 -16.697 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -16.021 -16.458 -16.244 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -15.564 -15.431 -17.258 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -25.349 -19.754 -16.840 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -25.285 -20.548 -16.309 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -24.696 -19.873 -17.529 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -23.035 -20.128 0.461 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -23.363 -19.857 -0.397 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -22.883 -21.069 0.373 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -19.997 -18.707 -17.104 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -20.265 -18.527 -16.203 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -20.203 -19.633 -17.235 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -17.300 -20.212 -2.156 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -16.555 -19.624 -2.276 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -18.057 -19.630 -2.093 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -19.891 -21.418 1.100 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -18.938 -21.334 1.072 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -20.051 -22.129 1.719 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -22.577 -22.725 -3.363 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -21.826 -22.881 -3.936 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -22.916 -21.873 -3.639 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -16.845 -22.121 -0.257 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -17.126 -21.412 -0.835 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -15.902 -22.194 -0.408 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -29.663 -18.212 -15.787 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -28.749 -18.133 -15.514 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -29.656 -18.899 -16.454 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -30.144 -14.738 -8.905 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -30.478 -15.619 -8.733 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -29.922 -14.393 -8.041 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -13.280 -20.315 -12.851 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -12.430 -19.894 -12.723 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -13.275 -21.055 -12.243 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -13.127 -19.477 -6.079 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -12.293 -19.855 -6.360 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -13.015 -18.534 -6.198 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -25.518 -15.935 -3.551 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -25.943 -15.126 -3.834 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -24.613 -15.850 -3.853 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -21.207 -14.536 -0.592 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -21.022 -14.870 0.286 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -20.360 -14.227 -0.914 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -18.862 -13.251 -1.348 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -18.185 -13.883 -1.588 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -18.540 -12.849 -0.540 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -28.116 -12.679 -3.504 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -28.836 -12.239 -3.955 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -28.482 -12.930 -2.655 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -25.649 -13.079 -4.474 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -26.514 -13.007 -4.070 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -25.704 -12.532 -5.258 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -28.701 -14.056 -6.593 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -28.720 -14.481 -5.736 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -27.896 -14.374 -7.002 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -26.560 -15.346 -7.938 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -26.779 -16.262 -7.769 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -25.736 -15.206 -7.472 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -14.659 -15.308 -0.195 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -15.441 -15.494 -0.715 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -14.731 -14.379 0.022 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -22.946 -17.344 1.787 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -22.707 -18.092 1.239 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -23.215 -17.732 2.619 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -20.908 -15.481 1.925 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -21.552 -16.112 2.247 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -20.146 -16.012 1.693 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -16.304 -15.664 2.159 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -16.021 -16.458 2.612 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -15.564 -15.431 1.598 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -19.997 -18.707 1.752 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -20.265 -18.527 2.653 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -20.203 -19.633 1.621 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -19.109 -2.566 -47.877 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -19.020 -1.622 -48.009 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -19.748 -2.841 -48.535 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -27.808 -3.696 -42.865 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -27.766 -4.322 -42.141 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -27.105 -3.073 -42.683 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -16.470 -0.372 -46.156 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -16.911 -1.092 -45.706 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -16.483 0.349 -45.526 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -26.884 0.754 -44.330 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -27.254 -0.048 -44.699 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -25.943 0.585 -44.283 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -19.359 4.733 -45.944 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -18.739 4.056 -46.217 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -19.567 4.515 -45.036 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -25.491 -8.383 -46.452 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -25.448 -7.523 -46.870 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -25.949 -8.935 -47.085 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -17.769 -8.252 -48.051 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -17.123 -8.581 -47.426 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -17.259 -7.734 -48.674 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -23.715 -4.436 -46.474 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -23.099 -4.962 -45.965 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -24.301 -5.076 -46.878 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -26.681 -9.465 -42.378 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -26.900 -8.935 -43.144 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -27.349 -9.238 -41.730 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -19.312 0.035 -48.834 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -19.608 -0.287 -49.685 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -19.636 0.935 -48.792 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -24.112 -1.789 -42.090 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -24.852 -1.191 -41.987 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -23.398 -1.235 -42.406 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -16.005 -8.961 -46.070 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -16.220 -9.727 -45.538 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -15.349 -8.489 -45.557 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -27.087 -7.573 -44.425 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -26.474 -6.940 -44.052 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -26.575 -8.045 -45.082 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -25.704 0.175 -41.303 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -25.710 1.054 -41.681 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -26.558 0.092 -40.878 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -22.655 -12.159 -44.925 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -22.772 -13.108 -44.979 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -23.510 -11.827 -44.652 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -17.706 3.249 -47.183 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -17.281 2.542 -47.668 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -17.389 4.050 -47.600 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -16.547 1.150 -48.674 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -16.804 0.460 -49.286 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -16.476 0.707 -47.829 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -20.388 -3.322 -50.425 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -21.100 -2.787 -50.776 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -19.697 -3.266 -51.085 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -16.982 -3.112 -49.473 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -17.714 -2.884 -48.900 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -16.535 -3.826 -49.018 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -25.337 -2.482 -47.590 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -25.667 -2.852 -48.409 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -24.749 -3.152 -47.244 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -23.970 0.946 -44.909 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -24.065 0.368 -45.666 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -23.241 0.575 -44.413 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -24.970 -3.713 -43.957 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -24.405 -3.592 -44.720 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -24.651 -3.076 -43.318 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -18.661 1.790 -43.223 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -18.902 2.452 -42.575 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -18.859 0.956 -42.798 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -24.090 0.686 -39.240 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -24.402 1.468 -38.784 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -24.740 0.533 -39.926 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -27.170 -3.116 -40.011 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -27.100 -2.465 -39.313 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -28.061 -3.013 -40.346 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -20.385 2.787 -48.353 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -19.911 3.082 -47.575 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -20.948 3.525 -48.586 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -25.851 2.758 -38.476 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -25.843 2.622 -39.424 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -26.767 2.640 -38.224 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -21.327 1.971 -39.744 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -21.240 2.797 -39.269 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -22.191 1.641 -39.495 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -28.005 0.274 -40.143 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -27.788 -0.087 -39.283 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -28.860 -0.100 -40.353 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -25.386 -11.256 -44.147 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -26.247 -11.343 -44.555 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -25.408 -10.400 -43.720 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -25.295 -6.290 -43.052 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -25.937 -6.331 -42.343 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -25.258 -5.364 -43.290 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -25.298 -6.069 -48.140 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -26.191 -6.410 -48.199 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -24.847 -6.446 -48.896 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -19.762 -5.653 -49.323 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -20.171 -4.838 -49.615 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -19.042 -5.793 -49.938 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -18.758 -6.207 -46.509 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -18.953 -5.602 -47.224 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -18.576 -7.041 -46.944 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -27.545 -5.970 -41.185 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -27.583 -5.570 -40.317 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -28.036 -6.787 -41.095 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -22.716 -8.642 -47.054 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -23.627 -8.585 -46.765 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -22.211 -8.702 -46.243 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -18.311 -9.407 -43.790 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -18.988 -9.276 -43.126 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -18.797 -9.562 -44.600 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -27.426 -1.261 -37.905 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -26.693 -1.007 -37.344 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -28.206 -1.057 -37.390 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -22.226 -1.253 -51.068 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -22.970 -1.760 -51.391 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -22.360 -1.204 -50.122 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -27.101 -1.958 -45.299 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -26.356 -1.960 -45.900 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -27.023 -2.782 -44.817 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -23.076 -3.980 -37.771 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -23.372 -4.146 -38.666 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -22.145 -4.200 -37.781 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -24.726 1.560 -47.894 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -24.199 2.333 -48.095 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -25.606 1.785 -48.196 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -23.299 -0.777 -48.318 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -23.540 0.148 -48.276 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -24.039 -1.236 -47.922 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -22.784 3.372 -42.003 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -22.421 4.227 -42.236 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -22.252 3.080 -41.262 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -28.808 3.061 -41.991 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -28.591 2.129 -42.022 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -28.561 3.335 -41.107 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -21.740 -7.623 -49.604 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -20.928 -7.119 -49.558 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -21.985 -7.768 -48.690 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -16.398 -4.979 -45.488 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -17.195 -5.394 -45.817 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -15.953 -5.670 -44.997 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -15.311 4.277 -43.866 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -15.467 4.955 -44.523 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -14.379 4.349 -43.663 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -25.000 3.867 -36.018 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -24.232 3.408 -35.677 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -25.021 3.641 -36.948 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -29.690 -1.242 -36.684 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -29.546 -2.144 -36.970 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -30.463 -0.956 -37.172 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -23.035 -1.272 -37.251 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -23.363 -1.001 -38.109 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -22.883 -2.213 -37.339 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -28.858 -4.042 -37.264 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -28.450 -4.899 -37.385 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -29.118 -4.027 -36.343 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -24.911 -5.033 -39.890 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -25.529 -4.358 -39.609 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -24.567 -4.712 -40.723 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -19.891 -2.562 -36.612 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -18.938 -2.478 -36.640 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -20.051 -3.273 -35.993 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -24.571 -7.678 -38.807 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -24.421 -8.407 -39.410 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -24.569 -6.901 -39.366 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -24.159 -9.308 -41.315 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -23.623 -8.857 -41.967 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -25.011 -9.416 -41.737 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -26.093 -6.480 -36.896 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -26.860 -7.012 -37.106 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -25.414 -6.790 -37.495 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -23.353 -11.852 -40.883 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -23.451 -10.905 -40.989 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -24.096 -12.224 -41.359 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -27.912 -8.559 -37.191 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -27.701 -9.266 -37.802 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -28.024 -8.997 -36.347 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -12.595 4.927 -43.637 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -12.617 5.112 -42.698 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -11.905 5.496 -43.978 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -12.886 -3.406 -48.739 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -13.612 -3.885 -48.341 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -12.305 -3.200 -48.007 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -15.099 -4.885 -48.176 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -15.249 -5.830 -48.196 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -15.453 -4.604 -47.332 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -15.389 -7.302 -49.714 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -15.109 -8.209 -49.589 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -14.630 -6.868 -50.103 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -14.777 -6.721 -44.278 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -13.844 -6.509 -44.312 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -15.012 -6.619 -43.355 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -14.775 -10.039 -49.665 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -14.593 -10.488 -48.840 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -15.375 -10.624 -50.129 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -28.472 1.946 -37.522 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -29.293 2.121 -37.982 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -28.724 1.873 -36.601 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -25.518 2.921 -41.263 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -25.943 3.730 -41.546 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -24.613 3.006 -41.565 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -28.116 6.177 -41.216 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -28.836 6.617 -41.667 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -28.482 5.926 -40.367 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -25.649 5.777 -42.186 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -26.514 5.849 -41.782 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -25.704 6.324 -42.970 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -20.938 5.665 -43.010 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -21.395 6.194 -43.664 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -20.775 6.268 -42.285 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -18.611 4.543 -42.065 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -19.515 4.708 -42.331 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -18.182 5.396 -42.131 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -16.006 6.113 -41.770 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -16.188 7.029 -41.981 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -15.830 5.703 -42.617 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -24.023 3.980 -44.802 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -23.810 3.092 -45.089 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -23.958 3.946 -43.847 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -20.514 -10.356 -45.657 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -21.189 -10.985 -45.402 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -19.950 -10.840 -46.260 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -18.051 -11.765 -46.373 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -17.975 -11.670 -47.322 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -18.327 -12.673 -46.244 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -26.257 -11.857 -36.782 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -25.358 -12.131 -36.967 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -26.643 -12.600 -36.318 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -25.491 -8.383 -27.596 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -25.448 -7.523 -28.014 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -25.949 -8.935 -28.229 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -17.769 -8.252 -29.195 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -17.123 -8.581 -28.570 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -17.259 -7.734 -29.818 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -16.005 -8.961 -27.214 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -16.220 -9.727 -26.682 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -15.349 -8.489 -26.701 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -20.388 -3.322 -31.569 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -21.100 -2.787 -31.920 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -19.697 -3.266 -32.229 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -16.982 -3.112 -30.617 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -17.714 -2.884 -30.044 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -16.535 -3.826 -30.162 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -25.298 -6.069 -29.284 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -26.191 -6.410 -29.343 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -24.847 -6.446 -30.040 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -24.179 -8.596 -35.531 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -24.610 -9.041 -34.801 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -24.897 -8.224 -36.043 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -30.937 -8.854 -28.479 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -30.306 -8.883 -27.759 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -30.487 -9.279 -29.209 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -29.662 -8.108 -33.055 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -29.188 -7.517 -33.640 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -30.380 -7.577 -32.708 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -24.235 -7.013 -31.715 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -23.303 -6.884 -31.537 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -24.450 -6.343 -32.364 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -25.561 -5.818 -34.148 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -26.103 -6.198 -34.839 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -24.727 -5.624 -34.577 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -26.394 -9.718 -29.893 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -26.711 -10.620 -29.928 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -25.613 -9.716 -30.445 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -12.725 -6.362 -32.658 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -13.279 -6.758 -33.330 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -12.624 -5.452 -32.935 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -28.971 -3.578 -34.451 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -28.355 -2.951 -34.072 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -29.833 -3.262 -34.180 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -12.533 4.880 -34.171 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -11.790 5.466 -34.311 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -13.228 5.448 -33.838 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -22.946 1.512 -35.925 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -22.707 0.764 -36.473 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -23.215 1.124 -35.093 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -18.940 -9.351 -31.583 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -18.720 -8.879 -32.386 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -18.382 -8.956 -30.912 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -21.740 -7.623 -30.748 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -20.928 -7.119 -30.702 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -21.985 -7.768 -29.834 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -20.856 -10.542 -29.810 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -21.203 -9.924 -29.165 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -20.198 -10.041 -30.291 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -25.199 -9.479 -33.122 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -25.282 -8.590 -32.776 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -24.309 -9.744 -32.891 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -28.624 -6.387 -34.946 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -28.669 -5.448 -34.767 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -29.512 -6.623 -35.216 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -27.816 -11.605 -26.273 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -28.045 -11.546 -27.200 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -28.259 -12.397 -25.966 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -25.349 -0.898 -35.696 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -25.285 -1.692 -35.165 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -24.696 -1.017 -36.385 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -24.200 -2.926 -33.390 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -24.659 -3.410 -32.704 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -23.945 -3.594 -34.026 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -23.129 -4.683 -35.127 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -23.309 -4.837 -36.055 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -22.178 -4.575 -35.083 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -29.663 0.644 -34.643 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -28.749 0.723 -34.370 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -29.656 -0.043 -35.310 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -13.280 -1.459 -31.707 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -12.430 -1.038 -31.579 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -13.275 -2.199 -31.099 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -12.886 -3.406 -29.883 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -13.612 -3.885 -29.485 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -12.305 -3.200 -29.151 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -12.618 -3.505 -33.492 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -13.139 -3.148 -34.211 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -12.651 -2.830 -32.814 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -15.099 -4.885 -29.320 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -15.249 -5.830 -29.340 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -15.453 -4.604 -28.476 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -15.389 -7.302 -30.858 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -15.109 -8.209 -30.733 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -14.630 -6.868 -31.247 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -29.245 -9.224 -26.278 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -28.800 -10.016 -25.976 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -28.779 -8.508 -25.847 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -30.628 -9.967 -31.154 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -31.553 -9.758 -31.284 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -30.174 -9.483 -31.844 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -13.645 -11.110 -28.355 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -13.033 -11.624 -28.882 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -13.262 -10.232 -28.332 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -28.188 -11.722 -28.979 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -28.965 -11.956 -29.487 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -27.657 -12.519 -28.971 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -23.608 -11.795 -29.166 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -22.734 -11.407 -29.196 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -23.744 -12.010 -28.243 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -18.051 -11.765 -27.517 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -17.975 -11.670 -28.466 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -18.327 -12.673 -27.388 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -27.490 -10.008 -34.733 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -26.999 -10.638 -35.261 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -26.867 -9.712 -34.070 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -22.464 -9.715 -32.276 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -22.286 -10.361 -31.593 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -22.518 -8.881 -31.809 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -13.877 4.797 -31.201 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -14.071 4.049 -31.766 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -13.916 5.555 -31.785 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -24.090 0.686 -1.528 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -24.402 1.468 -1.072 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -24.740 0.533 -2.214 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -27.170 -3.116 -2.299 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -27.100 -2.465 -1.601 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -28.061 -3.013 -2.634 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -25.851 2.758 -0.764 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -25.843 2.622 -1.712 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -26.767 2.640 -0.512 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -30.254 -1.049 -3.474 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -30.755 -1.077 -4.289 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -30.248 -1.955 -3.164 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -12.306 2.397 -0.908 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -12.355 1.442 -0.945 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -13.132 2.665 -0.506 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -28.005 0.274 -2.431 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -27.788 -0.087 -1.571 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -28.860 -0.100 -2.641 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -20.723 -11.534 -3.061 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -20.303 -11.949 -2.308 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -21.656 -11.712 -2.944 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -15.024 6.265 0.199 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -14.824 6.689 -0.636 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -14.368 6.608 0.806 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -27.426 -1.261 -0.193 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -26.693 -1.007 0.368 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -28.206 -1.057 0.322 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -30.093 -3.497 -2.272 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -29.870 -3.915 -1.440 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -30.695 -4.110 -2.694 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -16.581 4.023 -2.121 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -17.183 3.468 -2.616 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -16.300 4.690 -2.747 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -28.808 3.061 -4.279 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -28.591 2.129 -4.310 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -28.561 3.335 -3.395 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -15.000 -8.730 -1.872 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -15.916 -8.467 -1.960 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -14.664 -8.733 -2.769 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -18.423 2.247 0.423 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -18.774 1.391 0.666 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -17.697 2.390 1.030 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -28.858 -4.042 0.448 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -28.450 -4.899 0.327 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -29.118 -4.027 1.369 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -26.093 -6.480 0.816 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -26.860 -7.012 0.606 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -25.414 -6.790 0.217 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -22.089 -7.530 0.392 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -22.325 -7.750 1.294 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -22.872 -7.737 -0.117 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -19.373 -8.403 -0.532 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -20.321 -8.371 -0.400 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -19.061 -9.028 0.122 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -17.739 -9.769 1.473 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -17.836 -10.721 1.467 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -18.061 -9.500 2.334 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -27.912 -8.559 0.521 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -27.701 -9.266 -0.090 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -28.024 -8.997 1.365 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -23.131 -12.558 -0.500 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -22.419 -13.198 -0.514 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -23.232 -12.291 -1.414 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -22.778 -10.875 1.554 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -22.909 -11.351 0.733 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -23.377 -10.131 1.498 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -30.144 4.118 -8.905 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -30.478 3.237 -8.733 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -29.922 4.463 -8.041 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -12.595 4.927 -5.925 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -12.617 5.112 -4.986 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -11.905 5.496 -6.266 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -13.032 4.494 -3.003 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -13.519 3.759 -3.374 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -12.483 4.101 -2.325 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -14.581 0.284 1.635 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -15.447 0.179 2.029 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -14.205 1.043 2.082 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -14.243 -2.915 -0.825 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -13.660 -3.649 -0.634 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -13.679 -2.143 -0.779 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -12.746 -5.012 -0.141 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -13.609 -5.391 -0.306 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -12.142 -5.751 -0.215 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -30.466 -7.536 -0.313 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -29.547 -7.658 -0.077 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -30.916 -8.286 0.076 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -12.465 -12.004 1.564 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -12.115 -12.658 0.958 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -12.318 -11.167 1.124 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -12.945 -9.895 -0.087 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -13.862 -9.624 -0.123 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -12.822 -10.430 -0.871 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -30.664 -11.229 -3.954 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -31.329 -11.475 -3.311 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -31.107 -10.607 -4.531 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -25.518 2.921 -3.551 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -25.943 3.730 -3.834 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -24.613 3.006 -3.853 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -21.207 4.320 -0.592 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -21.022 3.986 0.286 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -20.360 4.629 -0.914 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -18.862 5.605 -1.348 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -18.185 4.973 -1.588 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -18.540 6.007 -0.540 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -28.116 6.177 -3.504 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -28.836 6.617 -3.955 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -28.482 5.926 -2.655 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -25.649 5.777 -4.474 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -26.514 5.849 -4.070 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -25.704 6.324 -5.258 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -16.006 6.113 -4.058 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -16.188 7.029 -4.269 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -15.830 5.703 -4.905 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -28.701 4.800 -6.593 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -28.720 4.375 -5.736 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -27.896 4.482 -7.002 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -28.230 -11.208 -0.606 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -28.596 -11.973 -0.163 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -27.317 -11.179 -0.319 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -26.257 -11.857 0.930 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -25.358 -12.131 0.745 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -26.643 -12.600 1.394 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -17.835 -12.525 1.112 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -17.759 -12.951 1.966 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -16.942 -12.511 0.770 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -14.659 3.548 -0.195 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -15.441 3.362 -0.715 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -14.731 4.477 0.022 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -20.388 -3.322 6.143 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -21.100 -2.787 5.792 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -19.697 -3.266 5.483 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -16.982 -3.112 7.095 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -17.714 -2.884 7.668 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -16.535 -3.826 7.550 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -18.111 -3.950 4.780 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -17.532 -3.800 5.527 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -17.697 -3.479 4.057 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -13.223 2.166 2.970 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -13.150 3.105 3.140 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -12.318 1.861 2.913 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -21.061 -9.041 3.080 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -21.315 -9.022 4.003 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -21.318 -9.913 2.779 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -19.762 -5.653 7.245 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -20.171 -4.838 6.953 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -19.042 -5.793 6.630 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -24.179 -8.596 2.181 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -24.610 -9.041 2.911 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -24.897 -8.224 1.669 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -24.235 -7.013 5.997 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -23.303 -6.884 6.175 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -24.450 -6.343 5.348 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -25.561 -5.818 3.564 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -26.103 -6.198 2.873 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -24.727 -5.624 3.135 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -22.226 -1.253 5.500 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -22.970 -1.760 5.177 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -22.360 -1.204 6.446 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -18.328 -8.439 3.699 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -19.266 -8.327 3.548 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -18.031 -7.582 4.005 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -17.610 -6.572 5.360 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -16.718 -6.709 5.679 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -17.553 -5.781 4.823 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -20.100 0.206 4.525 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -20.395 1.032 4.907 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -20.803 -0.414 4.721 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -17.037 0.400 3.340 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -16.684 0.020 4.144 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -17.986 0.307 3.426 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -16.171 -0.927 5.566 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -16.448 -1.655 6.122 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -15.244 -0.808 5.772 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -22.946 1.512 1.787 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -22.707 0.764 1.239 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -23.215 1.124 2.619 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -24.009 1.082 4.243 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -23.862 0.562 5.033 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -24.012 1.989 4.549 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -21.271 2.780 4.992 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -22.088 3.277 5.045 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -20.742 3.255 4.352 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -20.908 3.375 1.925 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -21.552 2.744 2.247 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -20.146 2.844 1.693 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -16.304 3.192 2.159 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -16.021 2.398 2.612 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -15.564 3.425 1.598 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -25.349 -0.898 2.016 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -25.285 -1.692 2.547 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -24.696 -1.017 1.327 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -24.200 -2.926 4.322 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -24.659 -3.410 5.008 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -23.945 -3.594 3.686 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -13.739 -2.328 2.030 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -14.012 -2.753 1.217 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -13.699 -1.397 1.813 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -12.618 -3.505 4.220 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -13.139 -3.148 3.501 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -12.651 -2.830 4.898 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -14.269 -6.265 2.771 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -14.172 -5.598 2.091 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -14.409 -7.081 2.289 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -15.021 -8.857 1.888 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -14.411 -9.229 2.525 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -15.858 -9.279 2.084 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -15.658 8.610 -42.391 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -16.394 9.221 -42.429 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -14.974 9.025 -42.917 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -22.655 6.697 -44.925 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -22.772 5.748 -44.979 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -23.510 7.029 -44.652 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -24.090 19.542 -39.240 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -24.402 20.324 -38.784 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -24.740 19.389 -39.926 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -27.170 15.740 -40.011 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -27.100 16.391 -39.313 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -28.061 15.843 -40.346 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -25.851 21.614 -38.476 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -25.843 21.478 -39.424 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -26.767 21.496 -38.224 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -30.254 17.807 -41.186 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -30.755 17.779 -42.001 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -30.248 16.901 -40.876 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -15.154 12.746 -38.140 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -15.561 13.227 -38.860 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -15.113 11.841 -38.447 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -28.005 19.130 -40.143 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -27.788 18.769 -39.283 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -28.860 18.756 -40.353 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -17.397 11.078 -39.919 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -17.911 10.952 -39.122 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -17.552 11.990 -40.164 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -20.660 13.378 -37.835 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -21.223 12.674 -37.515 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -19.834 13.258 -37.368 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -18.311 9.449 -43.790 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -18.988 9.580 -43.126 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -18.797 9.294 -44.600 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -27.426 17.595 -37.905 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -26.693 17.849 -37.344 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -28.206 17.799 -37.390 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -22.770 11.390 -42.753 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -23.605 11.844 -42.643 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -22.246 11.666 -42.001 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -30.093 15.359 -39.984 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -29.870 14.941 -39.152 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -30.695 14.746 -40.406 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -23.076 14.876 -37.771 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -23.372 14.710 -38.666 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -22.145 14.656 -37.781 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -28.459 10.112 -40.426 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -29.352 10.451 -40.493 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -28.558 9.257 -40.008 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -19.724 9.853 -41.536 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -19.026 9.927 -40.886 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -20.105 8.989 -41.381 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -21.204 12.219 -40.419 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -21.085 12.793 -39.662 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -20.549 11.531 -40.304 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -15.000 10.126 -39.584 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -15.916 10.389 -39.672 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -14.664 10.123 -40.481 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -29.597 23.804 -37.638 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -29.057 23.587 -36.879 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -30.078 22.998 -37.828 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -25.000 22.723 -36.018 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -24.232 22.264 -35.677 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -25.021 22.497 -36.948 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -23.035 17.584 -37.251 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -23.363 17.855 -38.109 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -22.883 16.643 -37.339 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -28.858 14.814 -37.264 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -28.450 13.957 -37.385 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -29.118 14.829 -36.343 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -24.911 13.823 -39.890 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -25.529 14.498 -39.609 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -24.567 14.144 -40.723 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -19.891 16.294 -36.612 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -18.938 16.378 -36.640 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -20.051 15.583 -35.993 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -24.571 11.178 -38.807 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -24.421 10.449 -39.410 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -24.569 11.955 -39.366 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -24.159 9.548 -41.315 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -23.623 9.999 -41.967 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -25.011 9.440 -41.737 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -18.161 12.802 -36.047 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -17.969 11.871 -36.158 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -17.304 13.227 -36.057 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -16.845 15.591 -37.969 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -17.126 16.300 -38.547 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -15.902 15.518 -38.120 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -26.093 12.376 -36.896 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -26.860 11.844 -37.106 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -25.414 12.066 -37.495 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -23.353 7.004 -40.883 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -23.451 7.951 -40.989 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -24.096 6.632 -41.359 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -22.089 11.326 -37.320 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -22.325 11.106 -36.418 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -22.872 11.119 -37.829 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -19.373 10.453 -38.244 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -20.321 10.485 -38.112 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -19.061 9.828 -37.590 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -27.912 10.297 -37.191 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -27.701 9.590 -37.802 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -28.024 9.859 -36.347 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -30.466 11.320 -38.025 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -29.547 11.198 -37.789 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -30.916 10.570 -37.636 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -12.465 6.852 -36.148 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -12.115 6.198 -36.754 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -12.318 7.689 -36.588 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -12.945 8.961 -37.799 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -13.862 9.232 -37.835 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -12.822 8.426 -38.583 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -30.664 7.627 -41.666 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -31.329 7.381 -41.023 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -31.107 8.249 -42.243 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -28.472 20.802 -37.522 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -29.293 20.977 -37.982 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -28.724 20.729 -36.601 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -13.944 7.051 -39.980 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -14.757 7.376 -40.368 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -13.711 6.291 -40.513 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -15.372 6.607 -45.545 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -14.768 7.155 -46.046 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -16.241 6.927 -45.785 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -19.359 23.589 -27.088 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -18.739 22.912 -27.361 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -19.567 23.371 -26.180 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -15.958 20.324 -24.952 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -16.900 20.382 -24.791 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -15.682 21.230 -25.089 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -17.706 22.105 -28.327 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -17.281 21.398 -28.812 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -17.389 22.906 -28.744 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -16.547 20.006 -29.818 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -16.804 19.316 -30.430 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -16.476 19.563 -28.973 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -18.661 20.646 -24.367 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -18.902 21.308 -23.719 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -18.859 19.812 -23.942 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -24.090 19.542 -20.384 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -24.402 20.324 -19.928 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -24.740 19.389 -21.070 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -20.385 21.643 -29.497 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -19.911 21.938 -28.719 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -20.948 22.381 -29.730 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -25.851 21.614 -19.620 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -25.843 21.478 -20.568 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -26.767 21.496 -19.368 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -14.413 6.656 -33.119 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -15.312 6.795 -32.824 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -14.161 7.487 -33.521 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -12.306 21.253 -19.764 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -12.355 20.298 -19.801 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -13.132 21.521 -19.362 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -21.327 20.827 -20.888 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -21.240 21.653 -20.413 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -22.191 20.497 -20.639 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -20.913 24.599 -31.082 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -20.988 24.478 -32.028 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -20.880 25.549 -30.963 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -27.259 23.388 -29.301 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -27.107 23.040 -28.422 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -28.110 23.032 -29.556 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -16.634 15.939 -35.302 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -16.592 15.716 -36.232 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -15.785 16.337 -35.112 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -21.061 9.815 -34.632 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -21.315 9.834 -33.709 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -21.318 8.943 -34.933 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -24.179 10.260 -35.531 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -24.610 9.815 -34.801 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -24.897 10.632 -36.043 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -20.100 19.062 -33.187 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -20.395 19.888 -32.805 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -20.803 18.442 -32.991 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -18.456 20.249 -21.025 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -19.357 20.432 -21.293 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -18.422 20.508 -20.104 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -12.725 12.494 -32.658 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -13.279 12.098 -33.330 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -12.624 13.404 -32.935 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -12.761 18.294 -19.821 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -13.613 18.532 -20.188 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -12.171 18.277 -20.574 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -14.429 21.280 -32.193 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -14.802 20.454 -31.883 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -14.152 21.097 -33.090 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -24.615 23.101 -29.917 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -25.565 23.206 -29.865 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -24.264 23.921 -29.572 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -17.037 19.256 -34.372 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -16.684 18.876 -33.568 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -17.986 19.163 -34.286 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -16.581 22.879 -20.977 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -17.183 22.324 -21.472 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -16.300 23.546 -21.603 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -16.171 17.929 -32.146 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -16.448 17.201 -31.590 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -15.244 18.048 -31.940 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -22.946 20.368 -35.925 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -22.707 19.620 -36.473 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -23.215 19.980 -35.093 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -24.009 19.938 -33.469 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -23.862 19.418 -32.679 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -24.012 20.845 -33.163 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -21.271 21.636 -32.720 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -22.088 22.133 -32.667 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -20.742 22.111 -33.360 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -23.933 22.679 -32.738 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -23.772 23.479 -33.239 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -24.130 22.986 -31.853 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -25.199 9.377 -33.122 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -25.282 10.266 -32.776 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -24.309 9.112 -32.891 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -28.624 12.469 -34.946 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -28.669 13.408 -34.767 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -29.512 12.233 -35.216 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -29.597 23.804 -18.782 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -29.057 23.587 -18.023 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -30.078 22.998 -18.972 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -25.000 22.723 -17.162 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -24.232 22.264 -16.821 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -25.021 22.497 -18.092 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -18.423 21.103 -18.433 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -18.774 20.247 -18.190 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -17.697 21.246 -17.826 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -25.349 17.958 -35.696 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -25.285 17.164 -35.165 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -24.696 17.839 -36.385 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -19.997 19.005 -35.960 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -20.265 19.185 -35.059 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -20.203 18.079 -36.091 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -23.231 24.864 -34.126 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -22.298 25.022 -33.982 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -23.495 25.539 -34.751 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -31.014 24.893 -29.566 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -31.661 24.431 -30.099 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -30.659 24.221 -28.983 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -30.144 22.974 -27.761 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -30.478 22.093 -27.589 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -29.922 23.319 -26.897 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -14.581 19.140 -17.221 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -15.447 19.035 -16.827 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -14.205 19.899 -16.774 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -13.280 17.397 -31.707 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -12.430 17.818 -31.579 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -13.275 16.657 -31.099 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -12.886 15.450 -29.883 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -13.612 14.971 -29.485 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -12.305 15.656 -29.151 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -13.127 18.235 -24.935 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -12.293 17.857 -25.216 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -13.015 19.178 -25.054 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -14.640 21.113 -22.628 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -15.288 21.438 -22.003 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -15.158 20.673 -23.303 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -12.618 15.351 -33.492 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -13.139 15.708 -34.211 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -12.651 16.026 -32.814 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -14.269 12.591 -34.941 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -14.172 13.258 -35.621 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -14.409 11.775 -35.423 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -15.021 9.999 -35.824 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -14.411 9.627 -35.187 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -15.858 9.577 -35.628 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -12.909 8.884 -34.281 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -12.496 8.163 -34.757 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -12.227 9.554 -34.223 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -21.207 23.176 -19.448 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -21.022 22.842 -18.570 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -20.360 23.485 -19.770 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -28.116 25.033 -22.360 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -28.836 25.473 -22.811 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -28.482 24.782 -21.511 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -25.649 24.633 -23.330 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -26.514 24.705 -22.926 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -25.704 25.180 -24.114 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -20.938 24.521 -24.154 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -21.395 25.050 -24.808 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -20.775 25.124 -23.429 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -18.611 23.399 -23.209 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -19.515 23.564 -23.475 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -18.182 24.252 -23.275 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -28.701 23.656 -25.449 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -28.720 23.231 -24.592 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -27.896 23.338 -25.858 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -27.632 23.800 -35.253 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -27.900 24.087 -34.380 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -26.861 23.254 -35.101 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -14.659 22.404 -19.051 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -15.441 22.218 -19.571 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -14.731 23.333 -18.834 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -19.109 16.290 -10.165 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -19.020 17.234 -10.297 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -19.748 16.015 -10.823 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -20.176 15.545 -6.746 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -20.214 14.899 -6.041 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -20.499 15.079 -7.517 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -30.274 13.270 -11.225 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -30.722 14.116 -11.243 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -30.835 12.690 -11.740 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -13.124 9.579 -5.479 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -13.075 10.189 -4.743 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -12.698 10.040 -6.202 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -18.646 12.372 -6.012 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -18.503 11.425 -5.992 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -18.752 12.579 -6.941 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -25.491 10.473 -8.740 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -25.448 11.333 -9.158 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -25.949 9.921 -9.373 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -17.769 10.604 -10.339 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -17.123 10.275 -9.714 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -17.259 11.122 -10.962 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -28.871 12.870 -7.978 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -28.217 12.320 -7.546 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -28.847 12.596 -8.894 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -23.715 14.420 -8.762 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -23.099 13.894 -8.253 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -24.301 13.780 -9.166 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -26.681 9.391 -4.666 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -26.900 9.921 -5.432 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -27.349 9.618 -4.018 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -19.312 18.891 -11.122 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -19.608 18.569 -11.973 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -19.636 19.791 -11.080 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -16.005 9.895 -8.358 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -16.220 9.129 -7.826 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -15.349 10.367 -7.845 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -27.087 11.283 -6.713 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -26.474 11.916 -6.340 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -26.575 10.811 -7.370 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -29.583 18.702 -12.809 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -29.855 18.931 -13.698 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -29.538 19.540 -12.349 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -15.658 8.610 -4.679 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -16.394 9.221 -4.717 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -14.974 9.025 -5.205 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -20.388 15.534 -12.713 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -21.100 16.069 -13.064 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -19.697 15.590 -13.373 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -16.982 15.744 -11.761 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -17.714 15.972 -11.188 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -16.535 15.030 -11.306 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -25.337 16.374 -9.878 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -25.667 16.004 -10.697 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -24.749 15.704 -9.532 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -24.970 15.143 -6.245 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -24.405 15.264 -7.008 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -24.651 15.780 -5.606 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -26.347 15.444 -12.289 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -26.639 16.212 -12.780 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -27.021 14.784 -12.452 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -13.223 21.022 -15.886 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -13.150 21.961 -15.716 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -12.318 20.717 -15.943 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -25.386 7.600 -6.435 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -26.247 7.513 -6.843 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -25.408 8.456 -6.008 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -20.723 7.322 -3.061 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -20.303 6.907 -2.308 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -21.656 7.144 -2.944 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -25.295 12.566 -5.340 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -25.937 12.525 -4.631 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -25.258 13.492 -5.578 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -18.758 12.649 -8.797 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -18.953 13.254 -9.512 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -18.576 11.815 -9.232 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -27.888 11.843 -10.515 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -28.777 11.943 -10.855 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -27.592 11.001 -10.861 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -18.311 9.449 -6.078 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -18.988 9.580 -5.414 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -18.797 9.294 -6.888 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -21.396 13.002 -7.455 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -20.832 12.455 -8.002 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -21.544 12.480 -6.666 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -22.770 11.390 -5.041 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -23.605 11.844 -4.931 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -22.246 11.666 -4.289 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -17.610 12.284 -13.496 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -16.718 12.147 -13.177 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -17.553 13.075 -14.033 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 -20.100 19.062 -14.331 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 -20.395 19.888 -13.949 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 -20.803 18.442 -14.135 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -24.726 20.416 -10.182 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -24.199 21.189 -10.383 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 -25.606 20.641 -10.484 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -23.299 18.079 -10.606 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -23.540 19.004 -10.564 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -24.039 17.620 -10.210 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -17.037 19.256 -15.516 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -16.684 18.876 -14.712 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -17.986 19.163 -15.430 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -16.171 17.929 -13.290 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -16.448 17.201 -12.734 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -15.244 18.048 -13.084 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -22.946 20.368 -17.069 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -22.707 19.620 -17.617 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -23.215 19.980 -16.237 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 -24.009 19.938 -14.613 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 -23.862 19.418 -13.823 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 -24.012 20.845 -14.307 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -27.556 17.191 -14.103 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -28.242 17.543 -13.536 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -27.033 17.954 -14.349 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -19.724 9.853 -3.824 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -19.026 9.927 -3.174 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -20.105 8.989 -3.669 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -21.271 21.636 -13.864 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -22.088 22.133 -13.811 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -20.742 22.111 -14.504 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 -23.933 22.679 -13.882 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 -23.772 23.479 -14.383 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 -24.130 22.986 -12.997 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -16.398 13.877 -7.776 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -17.195 13.462 -8.105 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -15.953 13.186 -7.285 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -26.940 19.805 -15.206 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -26.348 20.504 -14.930 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -26.481 19.372 -15.925 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -27.816 7.251 -7.417 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -28.045 7.310 -8.344 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -28.259 6.459 -7.110 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -20.908 22.231 -16.931 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -21.552 21.600 -16.609 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -20.146 21.700 -17.163 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -16.304 22.048 -16.697 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -16.021 21.254 -16.244 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -15.564 22.281 -17.258 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -19.997 19.005 -17.104 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -20.265 19.185 -16.203 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -20.203 18.079 -17.235 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -24.159 9.548 -3.603 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -23.623 9.999 -4.255 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -25.011 9.440 -4.025 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -23.353 7.004 -3.171 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -23.451 7.951 -3.277 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -24.096 6.632 -3.647 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -23.131 6.298 -0.500 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -22.419 5.658 -0.514 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -23.232 6.565 -1.414 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -29.663 19.500 -15.787 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -28.749 19.579 -15.514 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 -29.656 18.813 -16.454 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -13.280 17.397 -12.851 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -12.430 17.818 -12.723 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -13.275 16.657 -12.243 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -12.886 15.450 -11.027 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -13.612 14.971 -10.629 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -12.305 15.656 -10.295 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -12.618 15.351 -14.636 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -13.139 15.708 -15.355 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -12.651 16.026 -13.958 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -15.099 13.971 -10.464 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -15.249 13.026 -10.484 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -15.453 14.252 -9.620 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -14.777 12.135 -6.566 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -13.844 12.347 -6.600 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -15.012 12.237 -5.643 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -29.245 9.632 -7.422 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -28.800 8.840 -7.120 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -28.779 10.348 -6.991 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -30.941 12.631 -6.353 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -30.449 12.410 -7.143 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -30.579 13.472 -6.072 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -13.944 7.051 -2.268 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -14.757 7.376 -2.656 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -13.711 6.291 -2.801 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -20.514 8.500 -7.945 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -21.189 7.871 -7.690 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -19.950 8.016 -8.548 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -29.450 22.880 -13.422 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -30.135 22.842 -14.090 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -29.447 23.793 -13.134 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -27.632 23.800 -16.397 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -27.900 24.087 -15.524 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -26.861 23.254 -16.245 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -26.257 25.855 -36.782 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -25.358 25.581 -36.967 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -26.643 25.112 -36.318 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -22.655 25.553 -26.069 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -22.772 24.604 -26.123 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -23.510 25.885 -25.796 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -25.386 26.456 -25.291 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -26.247 26.369 -25.699 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -25.408 27.312 -24.864 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -27.816 26.107 -26.273 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -28.045 26.166 -27.200 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -28.259 25.315 -25.966 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -23.353 25.860 -22.027 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -23.451 26.807 -22.133 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -24.096 25.488 -22.503 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 -30.664 26.483 -22.810 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 -31.329 26.237 -22.167 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 -31.107 27.105 -23.387 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -28.188 25.990 -28.979 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -28.965 25.756 -29.487 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -27.657 25.193 -28.971 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -29.351 25.788 -33.176 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -28.912 26.399 -33.767 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -29.985 26.326 -32.702 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -23.608 25.917 -29.166 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -22.734 26.305 -29.196 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -23.744 25.702 -28.243 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 -28.230 26.504 -19.462 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 -28.596 25.739 -19.019 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 -27.317 26.533 -19.175 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -26.257 25.855 -17.926 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -25.358 25.581 -18.111 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -26.643 25.112 -17.462 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 -11.647 -17.125 -44.302 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 -10.701 -17.269 -44.321 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 -11.760 -16.341 -43.765 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -8.403 -14.324 -48.157 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -8.251 -14.672 -47.278 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -9.254 -14.680 -48.412 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 -9.952 -15.795 -41.991 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 -9.735 -16.727 -42.022 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 -9.705 -15.521 -41.107 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 -10.741 -13.908 -37.638 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 -10.201 -14.125 -36.879 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 -11.222 -14.714 -37.828 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -10.834 -20.098 -36.684 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -10.690 -21.000 -36.970 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -11.607 -19.812 -37.172 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -12.158 -12.819 -48.422 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -12.805 -13.281 -48.955 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -11.803 -13.491 -47.839 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -11.288 -14.738 -46.617 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -11.622 -15.619 -46.445 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -11.066 -14.393 -45.753 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -9.616 -16.910 -37.522 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -10.437 -16.735 -37.982 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -9.868 -16.983 -36.601 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -9.260 -12.679 -41.216 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -9.980 -12.239 -41.667 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -9.626 -12.930 -40.367 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 -6.793 -13.079 -42.186 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 -7.658 -13.007 -41.782 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 -6.848 -12.532 -42.970 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -9.845 -14.056 -44.305 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -9.864 -14.481 -43.448 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -9.040 -14.374 -44.714 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 -7.704 -15.346 -45.650 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 -7.923 -16.262 -45.481 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -6.880 -15.206 -45.184 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -8.028 -18.102 -25.474 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -8.398 -18.904 -25.843 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -7.087 -18.271 -25.427 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -11.418 -24.442 -30.081 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -11.866 -23.596 -30.099 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -11.979 -25.022 -30.596 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -10.708 -22.280 -27.955 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -10.494 -23.050 -27.428 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -9.970 -22.191 -28.558 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -0.503 -14.123 -27.088 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 0.117 -14.800 -27.361 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -0.711 -14.341 -26.180 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -10.727 -19.010 -31.665 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -10.999 -18.781 -32.554 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -10.682 -18.172 -31.205 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 2.898 -17.388 -24.952 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 1.956 -17.330 -24.791 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 3.174 -16.482 -25.089 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 1.150 -15.607 -28.327 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 1.575 -16.314 -28.812 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 1.467 -14.806 -28.744 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 3.995 -19.140 -21.341 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 4.135 -19.731 -22.080 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 4.163 -18.267 -21.697 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 0.195 -17.066 -24.367 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -0.046 -16.404 -23.719 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -0.003 -17.900 -23.942 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -5.234 -18.170 -20.384 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -5.546 -17.388 -19.928 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -5.884 -18.323 -21.070 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -6.995 -16.098 -19.620 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 -6.987 -16.234 -20.568 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -7.911 -16.216 -19.368 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -11.398 -19.905 -22.330 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -11.899 -19.933 -23.145 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 -11.392 -20.811 -22.020 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -11.647 -17.125 -25.446 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -10.701 -17.269 -25.465 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -11.760 -16.341 -24.909 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 -2.471 -16.885 -20.888 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 -2.384 -16.059 -20.413 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 -3.335 -17.215 -20.639 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -8.403 -14.324 -29.301 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -8.251 -14.672 -28.422 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -9.254 -14.680 -29.556 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -9.149 -18.582 -21.287 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -8.932 -18.943 -20.427 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -10.004 -18.956 -21.497 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 3.832 -12.591 -18.657 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 4.032 -12.167 -19.492 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 4.488 -12.248 -18.050 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -1.850 -19.925 -20.975 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -2.196 -20.306 -20.169 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -2.050 -18.991 -20.904 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 0.400 -17.463 -21.025 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 -0.501 -17.280 -21.293 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 0.434 -17.204 -20.104 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -3.928 -15.484 -23.147 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -3.565 -14.629 -23.380 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -3.396 -15.776 -22.406 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 -0.384 -19.385 -23.446 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 -0.810 -19.612 -22.620 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 0.197 -20.123 -23.629 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -9.952 -15.795 -23.135 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -9.735 -16.727 -23.166 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 -9.705 -15.521 -22.251 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 -8.700 -20.521 -32.959 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -9.386 -20.169 -32.392 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 -8.177 -19.758 -33.205 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -8.084 -17.907 -34.062 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -7.492 -17.208 -33.786 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -7.625 -18.340 -34.781 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 3.545 -14.579 -25.010 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 3.389 -13.901 -25.667 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 4.477 -14.507 -24.807 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -6.144 -14.989 -17.162 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -5.376 -15.448 -16.821 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -6.165 -15.215 -18.092 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 0.433 -16.609 -18.433 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 0.082 -17.465 -18.190 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 1.159 -16.466 -17.826 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 1.556 -20.212 -21.012 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 2.301 -19.624 -21.132 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 0.799 -19.630 -20.949 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 -10.807 -18.212 -34.643 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 -9.893 -18.133 -34.370 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 -10.800 -18.899 -35.310 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 6.261 -13.929 -24.781 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 6.239 -13.744 -23.842 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 6.951 -13.360 -25.122 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 5.824 -14.362 -21.859 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 5.337 -15.097 -22.230 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 6.373 -14.755 -21.181 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 4.216 -16.599 -22.628 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 3.568 -16.274 -22.003 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 3.698 -17.039 -23.303 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -11.208 -21.663 -25.310 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -11.024 -21.745 -26.245 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -10.359 -21.787 -24.886 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 -12.085 -25.081 -25.209 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 -11.593 -25.302 -25.999 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 -11.723 -24.240 -24.928 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -9.616 -16.910 -18.666 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -10.437 -16.735 -19.126 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -9.868 -16.983 -17.745 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -6.662 -15.935 -22.407 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -7.087 -15.126 -22.690 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 -5.757 -15.850 -22.709 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -9.845 -14.056 -25.449 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -9.864 -14.481 -24.592 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -9.040 -14.374 -25.858 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -7.704 -15.346 -26.794 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -7.923 -16.262 -26.625 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -6.880 -15.206 -26.328 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 -5.167 -14.876 -25.946 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 -4.954 -15.764 -26.233 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 -5.102 -14.910 -24.991 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 -10.594 -14.832 -32.278 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 -11.279 -14.870 -32.946 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 -10.591 -13.919 -31.990 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -8.776 -13.912 -35.253 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -9.044 -13.625 -34.380 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -8.005 -14.458 -35.101 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 4.197 -15.308 -19.051 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 3.415 -15.494 -19.571 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 4.125 -14.379 -18.834 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 2.386 -19.228 -8.444 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 1.945 -19.948 -7.994 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 2.373 -18.507 -7.814 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -8.028 -18.102 -6.618 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -8.398 -18.904 -6.987 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -7.087 -18.271 -6.571 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -2.931 -19.734 -6.340 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -2.627 -20.420 -6.934 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -2.209 -19.616 -5.722 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 -6.848 -18.681 -3.591 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 -6.854 -17.802 -3.969 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 -7.702 -18.764 -3.166 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 -10.727 -19.010 -12.809 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 -10.999 -18.781 -13.698 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 -10.682 -18.172 -12.349 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 2.898 -17.388 -6.096 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 1.956 -17.330 -5.935 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 3.174 -16.482 -6.233 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 1.150 -15.607 -9.471 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 1.575 -16.314 -9.956 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 1.467 -14.806 -9.888 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 2.309 -17.706 -10.962 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 2.052 -18.396 -11.574 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 2.380 -18.149 -10.117 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 3.995 -19.140 -2.485 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 4.135 -19.731 -3.224 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 4.163 -18.267 -2.841 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -5.114 -17.910 -7.197 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -5.209 -18.488 -7.954 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -4.385 -18.281 -6.701 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 0.195 -17.066 -5.511 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 -0.046 -16.404 -4.863 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 -0.003 -17.900 -5.086 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -5.234 -18.170 -1.528 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -5.546 -17.388 -1.072 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -5.884 -18.323 -2.214 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 -1.529 -16.069 -10.641 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 -1.055 -15.774 -9.863 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 -2.092 -15.331 -10.874 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 -6.995 -16.098 -0.764 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 -6.987 -16.234 -1.712 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 -7.911 -16.216 -0.512 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 -11.398 -19.905 -3.474 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 -11.899 -19.933 -4.289 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 -11.392 -20.811 -3.164 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 -11.647 -17.125 -6.590 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 -10.701 -17.269 -6.609 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 -11.760 -16.341 -6.053 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 6.550 -16.459 -0.908 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 6.501 -17.414 -0.945 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 5.724 -16.191 -0.506 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -2.471 -16.885 -2.032 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -2.384 -16.059 -1.557 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -3.335 -17.215 -1.783 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 -8.403 -14.324 -10.445 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 -8.251 -14.672 -9.566 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 -9.254 -14.680 -10.700 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 1.045 -13.959 -15.223 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 1.420 -14.703 -15.694 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 1.049 -14.229 -14.305 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 0.714 -14.033 -12.474 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 -0.221 -13.933 -12.295 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 0.994 -14.742 -11.896 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 3.832 -12.591 0.199 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 4.032 -12.167 -0.636 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 4.488 -12.248 0.806 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 0.400 -17.463 -2.169 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -0.501 -17.280 -2.437 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 0.434 -17.204 -1.248 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 -5.870 -17.296 -10.182 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -5.343 -16.523 -10.383 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 -6.750 -17.071 -10.484 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 -5.759 -14.611 -11.061 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 -6.709 -14.506 -11.009 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 -5.408 -13.791 -10.716 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -0.384 -19.385 -4.590 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -0.810 -19.612 -3.764 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 0.197 -20.123 -4.773 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 1.819 -18.456 -15.516 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 2.172 -18.836 -14.712 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 0.870 -18.549 -15.430 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -9.952 -15.795 -4.279 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -9.735 -16.727 -4.310 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -9.705 -15.521 -3.395 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 -4.090 -17.344 -17.069 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 -3.851 -18.092 -17.617 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 -4.359 -17.732 -16.237 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -5.153 -17.774 -14.613 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -5.006 -18.294 -13.823 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -5.156 -16.867 -14.307 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -2.415 -16.076 -13.864 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -3.232 -15.579 -13.811 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -1.886 -15.601 -14.504 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -5.077 -15.033 -13.882 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -4.916 -14.233 -14.383 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -5.274 -14.726 -12.997 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -8.084 -17.907 -15.206 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -7.492 -17.208 -14.930 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 -7.625 -18.340 -15.925 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -10.030 -16.521 -11.256 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -10.862 -16.048 -11.229 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -9.484 -16.011 -11.855 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 -10.741 -13.908 0.074 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 -10.201 -14.125 0.833 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 -11.222 -14.714 -0.116 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 -6.144 -14.989 1.694 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -5.376 -15.448 2.035 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -6.165 -15.215 0.764 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -2.052 -15.481 -16.931 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -2.696 -16.112 -16.609 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -1.290 -16.012 -17.163 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 0.433 -16.609 0.423 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 0.082 -17.465 0.666 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 1.159 -16.466 1.030 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 2.552 -15.664 -16.697 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 2.835 -16.458 -16.244 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 3.292 -15.431 -17.258 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 -1.141 -18.707 -17.104 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 -1.409 -18.527 -16.203 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 -1.347 -19.633 -17.235 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -10.807 -18.212 -15.787 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -9.893 -18.133 -15.514 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -10.800 -18.899 -16.454 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 5.824 -14.362 -3.003 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 5.337 -15.097 -3.374 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 6.373 -14.755 -2.325 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 4.216 -16.599 -3.772 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 3.568 -16.274 -3.147 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 3.698 -17.039 -4.447 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 2.999 -13.839 -10.353 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 3.652 -14.186 -10.961 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 3.510 -13.350 -9.707 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -6.662 -15.935 -3.551 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -7.087 -15.126 -3.834 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -5.757 -15.850 -3.853 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -2.351 -14.536 -0.592 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -2.166 -14.870 0.286 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -1.504 -14.227 -0.914 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 -9.260 -12.679 -3.504 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 -9.980 -12.239 -3.955 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 -9.626 -12.930 -2.655 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -6.793 -13.079 -4.474 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -7.658 -13.007 -4.070 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -6.848 -12.532 -5.258 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 -9.845 -14.056 -6.593 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 -9.864 -14.481 -5.736 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 -9.040 -14.374 -7.002 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -7.704 -15.346 -7.938 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -7.923 -16.262 -7.769 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -6.880 -15.206 -7.472 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 -5.167 -14.876 -7.090 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 -4.954 -15.764 -7.377 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 -5.102 -14.910 -6.135 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -10.594 -14.832 -13.422 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -11.279 -14.870 -14.090 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -10.591 -13.919 -13.134 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -1.730 -13.622 -15.025 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -0.864 -13.256 -15.203 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -1.977 -14.062 -15.838 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 4.979 -14.059 -12.345 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 4.785 -14.807 -12.910 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 4.940 -13.301 -12.929 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 4.197 -15.308 -0.195 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 3.415 -15.494 -0.715 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 4.125 -14.379 0.022 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 1.045 -13.959 3.633 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 1.420 -14.703 3.162 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 1.049 -14.229 4.551 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 6.323 -13.976 3.541 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 7.066 -13.390 3.401 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 5.628 -13.408 3.874 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -2.052 -15.481 1.925 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -2.696 -16.112 2.247 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -1.290 -16.012 1.693 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 2.552 -15.664 2.159 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 2.835 -16.458 2.612 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 3.292 -15.431 1.598 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -4.375 -12.848 3.586 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -3.442 -12.690 3.730 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -4.639 -12.173 2.961 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 -1.730 -13.622 3.831 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -0.864 -13.256 3.653 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 -1.977 -14.062 3.018 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -8.952 -3.696 -42.865 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -8.910 -4.322 -42.141 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -8.249 -3.073 -42.683 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 -8.028 0.754 -44.330 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 -8.398 -0.048 -44.699 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 -7.087 0.585 -44.283 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -11.418 -5.586 -48.937 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -11.866 -4.740 -48.955 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -11.979 -6.166 -49.452 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -10.708 -3.424 -46.811 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -10.494 -4.194 -46.284 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -9.970 -3.335 -47.414 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 -6.635 -8.383 -46.452 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 -6.592 -7.523 -46.870 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 -7.093 -8.935 -47.085 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 -10.015 -5.986 -45.690 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 -9.361 -6.536 -45.258 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 -9.991 -6.260 -46.606 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -7.825 -9.465 -42.378 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -8.044 -8.935 -43.144 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 -8.493 -9.238 -41.730 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 -5.256 -1.789 -42.090 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 -5.996 -1.191 -41.987 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 -4.542 -1.235 -42.406 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -8.231 -7.573 -44.425 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -7.618 -6.940 -44.052 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -7.719 -8.045 -45.082 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 -6.848 0.175 -41.303 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 -6.854 1.054 -41.681 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 -7.702 0.092 -40.878 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 -5.114 0.946 -44.909 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 -5.209 0.368 -45.666 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 -4.385 0.575 -44.413 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -6.114 -3.713 -43.957 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -5.549 -3.592 -44.720 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -5.795 -3.076 -43.318 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 -5.234 0.686 -39.240 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 -5.546 1.468 -38.784 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 -5.884 0.533 -39.926 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 -8.314 -3.116 -40.011 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 -8.244 -2.465 -39.313 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 -9.205 -3.013 -40.346 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 -6.995 2.758 -38.476 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 -6.987 2.622 -39.424 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 -7.911 2.640 -38.224 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -6.530 -11.256 -44.147 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -7.391 -11.343 -44.555 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -6.552 -10.400 -43.720 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -6.439 -6.290 -43.052 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -7.081 -6.331 -42.343 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -6.402 -5.364 -43.290 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 -8.689 -5.970 -41.185 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 -8.727 -5.570 -40.317 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -9.180 -6.787 -41.095 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -12.081 -8.854 -47.335 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -11.450 -8.883 -46.615 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -11.631 -9.279 -48.065 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 -9.032 -7.013 -48.227 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 -9.921 -6.913 -48.567 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 -8.736 -7.855 -48.573 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 -8.570 -1.261 -37.905 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 -7.837 -1.007 -37.344 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 -9.350 -1.057 -37.390 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -7.538 -9.718 -48.749 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -7.855 -10.620 -48.784 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -6.757 -9.716 -49.301 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -8.245 -1.958 -45.299 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -7.500 -1.960 -45.900 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 -8.167 -2.782 -44.817 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -8.960 -11.605 -45.129 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -9.189 -11.546 -46.056 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -9.403 -12.397 -44.822 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 -10.741 4.948 -37.638 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 -10.201 4.731 -36.879 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 -11.222 4.142 -37.828 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 -10.002 -4.042 -37.264 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 -9.594 -4.899 -37.385 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 -10.262 -4.027 -36.343 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -6.055 -5.033 -39.890 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 -6.673 -4.358 -39.609 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -5.711 -4.712 -40.723 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -5.715 -7.678 -38.807 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -5.565 -8.407 -39.410 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -5.713 -6.901 -39.366 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 -5.303 -9.308 -41.315 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 -4.767 -8.857 -41.967 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -6.155 -9.416 -41.737 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -7.237 -6.480 -36.896 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -8.004 -7.012 -37.106 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -6.558 -6.790 -37.495 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -9.056 -8.559 -37.191 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -8.845 -9.266 -37.802 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -9.168 -8.997 -36.347 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 -11.288 4.118 -46.617 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 -11.622 3.237 -46.445 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 -11.066 4.463 -45.753 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -11.772 -9.967 -50.010 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -12.697 -9.758 -50.140 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 -11.318 -9.483 -50.700 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 -9.616 1.946 -37.522 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 -10.437 2.121 -37.982 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -9.868 1.873 -36.601 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -6.662 2.921 -41.263 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -7.087 3.730 -41.546 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -5.757 3.006 -41.565 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 -9.260 6.177 -41.216 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -9.980 6.617 -41.667 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 -9.626 5.926 -40.367 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -6.793 5.777 -42.186 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -7.658 5.849 -41.782 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -6.848 6.324 -42.970 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -9.845 4.800 -44.305 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -9.864 4.375 -43.448 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -9.040 4.482 -44.714 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -7.704 3.510 -45.650 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -7.923 2.594 -45.481 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -6.880 3.650 -45.184 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -9.332 -11.722 -47.835 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -10.109 -11.956 -48.343 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -8.801 -12.519 -47.827 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -9.374 -11.208 -38.318 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -9.740 -11.973 -37.875 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -8.461 -11.179 -38.031 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 -7.401 -11.857 -36.782 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 -6.502 -12.131 -36.967 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 -7.787 -12.600 -36.318 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -1.320 -3.311 -25.602 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -1.358 -3.957 -24.897 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -1.643 -3.777 -26.373 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -8.028 0.754 -25.474 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -8.398 -0.048 -25.843 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -7.087 0.585 -25.427 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -11.418 -5.586 -30.081 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -11.866 -4.740 -30.099 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -11.979 -6.166 -30.596 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -10.708 -3.424 -27.955 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -10.494 -4.194 -27.428 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -9.970 -3.335 -28.558 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -2.931 -0.878 -25.196 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -2.627 -1.564 -25.790 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -2.209 -0.760 -24.578 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 5.732 -9.277 -24.335 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 5.781 -8.667 -23.599 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 6.158 -8.816 -25.058 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -6.635 -8.383 -27.596 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -6.592 -7.523 -28.014 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -7.093 -8.935 -28.229 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 1.087 -8.252 -29.195 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 1.733 -8.581 -28.570 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 1.597 -7.734 -29.818 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 -10.015 -5.986 -26.834 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 -9.361 -6.536 -26.402 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 -9.991 -6.260 -27.750 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -4.859 -4.436 -27.618 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -4.243 -4.962 -27.109 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -5.445 -5.076 -28.022 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 6.124 -7.799 -22.099 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 5.435 -7.141 -22.194 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 6.139 -7.996 -21.162 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 2.851 -8.961 -27.214 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 2.636 -9.727 -26.682 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 3.507 -8.489 -26.701 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 -6.848 0.175 -22.447 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 -6.854 1.054 -22.825 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 -7.702 0.092 -22.022 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -10.727 -0.154 -31.665 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 -10.999 0.075 -32.554 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -10.682 0.684 -31.205 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 -3.799 -12.159 -26.069 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 -3.916 -13.108 -26.123 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 -4.654 -11.827 -25.796 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 -6.481 -2.482 -28.734 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 -6.811 -2.852 -29.553 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 -5.893 -3.152 -28.388 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -5.114 0.946 -26.053 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -5.209 0.368 -26.810 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -4.385 0.575 -25.557 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -5.234 0.686 -20.384 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -5.546 1.468 -19.928 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -5.884 0.533 -21.070 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 -6.995 2.758 -19.620 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 -6.987 2.622 -20.568 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 -7.911 2.640 -19.368 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -2.471 1.971 -20.888 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -2.384 2.797 -20.413 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -3.335 1.641 -20.639 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -8.403 4.532 -29.301 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -8.251 4.184 -28.422 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -9.254 4.176 -29.556 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 3.702 -6.110 -19.284 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 3.295 -5.629 -20.004 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 3.743 -7.015 -19.591 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -6.530 -11.256 -25.291 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -7.391 -11.343 -25.699 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -6.552 -10.400 -24.864 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 -6.442 -6.069 -29.284 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 -7.335 -6.410 -29.343 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 -5.991 -6.446 -30.040 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 0.098 -6.207 -27.653 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -0.097 -5.602 -28.368 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 0.280 -7.041 -28.088 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -12.081 -8.854 -28.479 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -11.450 -8.883 -27.759 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -11.631 -9.279 -29.209 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 -10.806 -8.108 -33.055 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 -10.332 -7.517 -33.640 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 -11.524 -7.577 -32.708 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 -3.860 -8.642 -28.198 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 -4.771 -8.585 -27.909 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 -3.355 -8.702 -27.387 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -9.032 -7.013 -29.371 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -9.921 -6.913 -29.711 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -8.736 -7.855 -29.717 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 -2.540 -5.854 -26.311 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 -1.976 -6.401 -26.858 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 -2.688 -6.376 -25.522 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -7.538 -9.718 -29.893 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -7.855 -10.620 -29.928 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -6.757 -9.716 -30.445 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 3.780 -2.120 -23.426 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 4.422 -1.663 -23.969 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 2.950 -2.007 -23.888 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 -1.850 -1.069 -20.975 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 -2.196 -1.450 -20.169 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 -2.050 -0.135 -20.904 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -8.245 -1.958 -26.443 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -7.500 -1.960 -27.044 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -8.167 -2.782 -25.961 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 1.587 -2.768 -25.171 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 0.659 -3.000 -25.198 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 2.038 -3.545 -25.501 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 -10.115 -3.578 -34.451 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 -9.499 -2.951 -34.072 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 -10.977 -3.262 -34.180 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -0.384 -0.529 -23.446 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -0.810 -0.756 -22.620 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 0.197 -1.267 -23.629 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 -8.700 -1.665 -32.959 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 -9.386 -1.313 -32.392 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 -8.177 -0.902 -33.205 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -2.000 -10.542 -29.810 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -2.347 -9.924 -29.165 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -1.342 -10.041 -30.291 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 3.856 -8.730 -20.728 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 2.940 -8.467 -20.816 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 4.192 -8.733 -21.625 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 2.458 -4.979 -26.632 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 1.661 -5.394 -26.961 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 2.903 -5.670 -26.141 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -8.084 0.949 -34.062 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 -7.492 1.648 -33.786 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 -7.625 0.516 -34.781 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -9.768 -6.387 -34.946 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -9.813 -5.448 -34.767 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -10.656 -6.623 -35.216 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -8.960 -11.605 -26.273 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -9.189 -11.546 -27.200 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -9.403 -12.397 -25.966 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -10.030 2.335 -30.112 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -10.862 2.808 -30.085 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -9.484 2.845 -30.711 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 -10.741 4.948 -18.782 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 -10.201 4.731 -18.023 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 -11.222 4.142 -18.972 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -6.144 3.867 -17.162 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -5.376 3.408 -16.821 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -6.165 3.641 -18.092 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -6.493 -0.898 -35.696 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -6.429 -1.692 -35.165 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -5.840 -1.017 -36.385 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 1.556 -1.356 -21.012 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 2.301 -0.768 -21.132 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 0.799 -0.774 -20.949 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 -1.035 -2.562 -17.756 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 -0.082 -2.478 -17.784 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 -1.195 -3.273 -17.137 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 2.011 -3.265 -19.113 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 1.730 -2.556 -19.691 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 2.954 -3.338 -19.264 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -10.807 0.644 -34.643 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -9.893 0.723 -34.370 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 -10.800 -0.043 -35.310 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 -12.158 6.037 -29.566 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 -12.805 5.575 -30.099 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 -11.803 5.365 -28.983 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -11.288 4.118 -27.761 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -11.622 3.237 -27.589 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -11.066 4.463 -26.897 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 4.613 -2.915 -19.681 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 5.196 -3.649 -19.490 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 5.177 -2.143 -19.635 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 6.110 -5.012 -18.997 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 5.247 -5.391 -19.162 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 6.714 -5.751 -19.071 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 4.079 -6.721 -25.422 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 5.012 -6.509 -25.456 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 3.844 -6.619 -24.499 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 4.108 -5.984 -22.646 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 3.265 -5.716 -22.280 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 4.551 -5.162 -22.857 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 6.391 -12.004 -17.292 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 6.741 -12.658 -17.898 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 6.538 -11.167 -17.732 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 5.911 -9.895 -18.943 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 4.994 -9.624 -18.979 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 6.034 -10.430 -19.727 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 -6.662 2.921 -22.407 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 -7.087 3.730 -22.690 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -5.757 3.006 -22.709 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 4.912 -11.805 -21.124 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 4.099 -11.480 -21.512 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 5.145 -12.565 -21.657 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -9.260 6.177 -22.360 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -9.980 6.617 -22.811 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -9.626 5.926 -21.511 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -6.793 5.777 -23.330 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -7.658 5.849 -22.926 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -6.848 6.324 -24.114 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -9.845 4.800 -25.449 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -9.864 4.375 -24.592 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -9.040 4.482 -25.858 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -7.704 3.510 -26.794 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -7.923 2.594 -26.625 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -6.880 3.650 -26.328 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -1.658 -10.356 -26.801 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -2.333 -10.985 -26.546 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -1.094 -10.840 -27.404 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 3.484 -12.249 -26.689 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 4.088 -11.701 -27.190 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 2.615 -11.929 -26.929 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -9.332 -11.722 -28.979 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -10.109 -11.956 -29.487 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -8.801 -12.519 -28.971 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -4.752 -11.795 -29.166 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -3.878 -11.407 -29.196 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -4.888 -12.010 -28.243 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 0.805 -11.765 -27.517 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 0.881 -11.670 -28.466 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 0.529 -12.673 -27.388 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -10.594 4.024 -32.278 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -11.279 3.986 -32.946 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -10.591 4.937 -31.990 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 -8.634 -10.008 -34.733 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 -8.143 -10.638 -35.261 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 -8.011 -9.712 -34.070 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -8.776 4.944 -35.253 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -9.044 5.231 -34.380 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -8.005 4.398 -35.101 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 -0.253 -2.566 -10.165 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 -0.164 -1.622 -10.297 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 -0.892 -2.841 -10.823 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 2.386 -0.372 -8.444 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 1.945 -1.092 -7.994 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 2.373 0.349 -7.814 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 -0.503 4.733 -8.232 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 0.117 4.056 -8.505 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 -0.711 4.515 -7.324 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 1.087 -8.252 -10.339 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 1.733 -8.581 -9.714 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 1.597 -7.734 -10.962 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 -0.456 0.035 -11.122 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 -0.752 -0.287 -11.973 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 -0.780 0.935 -11.080 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -6.848 0.175 -3.591 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -6.854 1.054 -3.969 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -7.702 0.092 -3.166 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 1.150 3.249 -9.471 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 1.575 2.542 -9.956 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 1.467 4.050 -9.888 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 2.309 1.150 -10.962 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 2.052 0.460 -11.574 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 2.380 0.707 -10.117 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 -1.532 -3.322 -12.713 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 -2.244 -2.787 -13.064 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 -0.841 -3.266 -13.373 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 5.837 -3.944 -4.419 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 5.185 -3.249 -4.330 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 6.302 -3.734 -5.229 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 1.874 -3.112 -11.761 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 1.142 -2.884 -11.188 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 2.321 -3.826 -11.306 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 1.771 -4.938 -2.693 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 1.851 -4.175 -2.121 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 1.170 -4.659 -3.384 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 0.195 1.790 -5.511 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -0.046 2.452 -4.863 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -0.003 0.956 -5.086 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 -5.234 0.686 -1.528 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 -5.546 1.468 -1.072 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -5.884 0.533 -2.214 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 0.745 -3.950 -14.076 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 1.324 -3.800 -13.329 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 1.159 -3.479 -14.799 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -8.314 -3.116 -2.299 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -8.244 -2.465 -1.601 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -9.205 -3.013 -2.634 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 -1.529 2.787 -10.641 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 -1.055 3.082 -9.863 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 -2.092 3.525 -10.874 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 4.443 -12.200 -14.263 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 3.544 -12.061 -13.968 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 4.695 -11.369 -14.665 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -11.647 1.731 -6.590 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -10.701 1.587 -6.609 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -11.760 2.515 -6.053 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -2.471 1.971 -2.032 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -2.384 2.797 -1.557 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -3.335 1.641 -1.783 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -8.403 4.532 -10.445 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -8.251 4.184 -9.566 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -9.254 4.176 -10.700 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 3.702 -6.110 -0.428 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 3.295 -5.629 -1.148 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 3.743 -7.015 -0.735 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -9.149 0.274 -2.431 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -8.932 -0.087 -1.571 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -10.004 -0.100 -2.641 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 2.222 -2.917 -16.446 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 2.264 -3.140 -17.376 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 3.071 -2.519 -16.256 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -1.804 -5.478 -0.123 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -2.367 -6.182 0.197 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -0.978 -5.598 0.344 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -8.689 -5.970 -3.473 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -8.727 -5.570 -2.605 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -9.180 -6.787 -3.383 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 -0.638 -4.569 -4.126 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 -0.314 -5.200 -4.769 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 -1.078 -5.104 -3.465 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 -8.570 -1.261 -0.193 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 -7.837 -1.007 0.368 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 -9.350 -1.057 0.322 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 -3.370 -1.253 -13.356 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 -4.114 -1.760 -13.679 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 -3.504 -1.204 -12.410 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 3.780 -2.120 -4.570 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 4.422 -1.663 -5.113 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 2.950 -2.007 -5.032 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -1.850 -1.069 -2.119 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -2.196 -1.450 -1.313 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 -2.050 -0.135 -2.048 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 1.246 -6.572 -13.496 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 2.138 -6.709 -13.177 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 1.303 -5.781 -14.033 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 -1.244 0.206 -14.331 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 -1.539 1.032 -13.949 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 -1.947 -0.414 -14.135 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -11.237 -3.497 -2.272 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -11.014 -3.915 -1.440 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -11.839 -4.110 -2.694 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 -4.220 -3.980 -0.059 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 -4.516 -4.146 -0.954 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 -3.289 -4.200 -0.069 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 1.587 -2.768 -6.315 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 0.659 -3.000 -6.342 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 2.038 -3.545 -6.645 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 -5.870 1.560 -10.182 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 -5.343 2.333 -10.383 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 -6.750 1.785 -10.484 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 -3.928 3.372 -4.291 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 -3.565 4.227 -4.524 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 -3.396 3.080 -3.550 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -5.759 4.245 -11.061 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -6.709 4.350 -11.009 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -5.408 5.065 -10.716 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 -0.384 -0.529 -4.590 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 -0.810 -0.756 -3.764 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 0.197 -1.267 -4.773 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 -9.603 -8.744 -2.714 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 -10.496 -8.405 -2.781 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 -9.702 -9.599 -2.296 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -9.952 3.061 -4.279 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -9.735 2.129 -4.310 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -9.705 3.335 -3.395 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 -4.090 1.512 -17.069 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 -3.851 0.764 -17.617 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 -4.359 1.124 -16.237 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -5.153 1.082 -14.613 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -5.006 0.562 -13.823 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -5.156 1.989 -14.307 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -2.415 2.780 -13.864 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -3.232 3.277 -13.811 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -1.886 3.255 -14.504 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 -5.077 3.823 -13.882 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -4.916 4.623 -14.383 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 -5.274 4.130 -12.997 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 2.458 -4.979 -7.776 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 1.661 -5.394 -8.105 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 2.903 -5.670 -7.285 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 -8.960 -11.605 -7.417 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 -9.189 -11.546 -8.344 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 -9.403 -12.397 -7.110 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -10.741 4.948 0.074 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -10.201 4.731 0.833 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -11.222 4.142 -0.116 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 -2.052 3.375 -16.931 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 -2.696 2.744 -16.609 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 -1.290 2.844 -17.163 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -10.834 -1.242 1.028 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -10.690 -2.144 0.742 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -11.607 -0.956 0.540 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 -4.179 -1.272 0.461 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 -4.507 -1.001 -0.397 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 -4.027 -2.213 0.373 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 -1.141 0.149 -17.104 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 -1.409 0.329 -16.203 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 -1.347 -0.777 -17.235 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 -10.002 -4.042 0.448 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 -9.594 -4.899 0.327 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 -10.262 -4.027 1.369 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 -6.055 -5.033 -2.178 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 -6.673 -4.358 -1.897 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 -5.711 -4.712 -3.011 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 -1.035 -2.562 1.100 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -0.082 -2.478 1.072 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -1.195 -3.273 1.719 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 5.117 -2.328 -16.826 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 4.844 -2.753 -17.639 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 5.157 -1.397 -17.043 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 -3.721 -3.869 -3.363 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 -2.970 -4.025 -3.936 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 -4.060 -3.017 -3.639 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 0.695 -6.054 1.665 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 0.887 -6.985 1.554 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 1.552 -5.629 1.655 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 2.011 -3.265 -0.257 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 1.730 -2.556 -0.835 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 2.954 -3.338 -0.408 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 -7.237 -6.480 0.816 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 -8.004 -7.012 0.606 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 -6.558 -6.790 0.217 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 -3.233 -7.530 0.392 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 -3.469 -7.750 1.294 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 -4.016 -7.737 -0.117 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 1.117 -9.769 1.473 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 1.020 -10.721 1.467 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 0.795 -9.500 2.334 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 -9.056 -8.559 0.521 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 -8.845 -9.266 -0.090 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 -9.168 -8.997 1.365 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 -4.275 -12.558 -0.500 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 -3.563 -13.198 -0.514 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 -4.376 -12.291 -1.414 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 -3.922 -10.875 1.554 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 -4.053 -11.351 0.733 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 -4.521 -10.131 1.498 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 -12.158 6.037 -10.710 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 -12.805 5.575 -11.243 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 -11.803 5.365 -10.127 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 -11.288 4.118 -8.905 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 -11.622 3.237 -8.733 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 -11.066 4.463 -8.041 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 5.970 -3.406 -11.027 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 5.244 -3.885 -10.629 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 6.551 -3.200 -10.295 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 4.587 -6.265 -16.085 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 4.684 -5.598 -16.765 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 4.447 -7.081 -16.567 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 3.757 -4.885 -10.464 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 3.607 -5.830 -10.484 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 3.403 -4.604 -9.620 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 4.613 -2.915 -0.825 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 5.196 -3.649 -0.634 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 5.177 -2.143 -0.779 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 6.110 -5.012 -0.141 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 5.247 -5.391 -0.306 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 6.714 -5.751 -0.215 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 3.835 -8.857 -16.968 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 4.445 -9.229 -16.331 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 2.998 -9.279 -16.772 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 3.467 -7.302 -12.002 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 3.747 -8.209 -11.877 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 4.226 -6.868 -12.391 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 -11.610 -7.536 -0.313 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 -10.691 -7.658 -0.077 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 -12.060 -8.286 0.076 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 6.391 -12.004 1.564 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 6.741 -12.658 0.958 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 6.538 -11.167 1.124 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 4.081 -10.039 -11.953 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 4.263 -10.488 -11.128 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 3.481 -10.624 -12.417 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 -9.616 1.946 0.190 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 -10.437 2.121 -0.270 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 -9.868 1.873 1.111 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 -6.662 2.921 -3.551 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 -7.087 3.730 -3.834 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 -5.757 3.006 -3.853 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 -9.845 4.800 -6.593 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 -9.864 4.375 -5.736 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 -9.040 4.482 -7.002 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 -7.704 3.510 -7.938 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 -7.923 2.594 -7.769 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 -6.880 3.650 -7.472 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 -5.167 3.980 -7.090 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 -4.954 3.092 -7.377 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 -5.102 3.946 -6.135 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 2.158 -11.739 -12.968 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 1.455 -11.125 -13.178 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 1.713 -12.577 -12.837 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 -10.594 4.024 -13.422 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 -11.279 3.986 -14.090 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 -10.591 4.937 -13.134 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 -9.374 -11.208 -0.606 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 -9.740 -11.973 -0.163 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 -8.461 -11.179 -0.319 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 -7.401 -11.857 0.930 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 -6.502 -12.131 0.745 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 -7.787 -12.600 1.394 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 -8.776 4.944 -16.397 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 -9.044 5.231 -15.524 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 -8.005 4.398 -16.245 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 1.021 -12.525 1.112 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 1.097 -12.951 1.966 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 1.914 -12.511 0.770 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 -1.478 -4.864 3.182 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 -0.777 -4.842 3.833 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 -1.176 -5.492 2.526 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 -2.205 -9.041 3.080 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 -2.459 -9.022 4.003 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 -2.462 -9.913 2.779 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1139 -5.323 -8.596 2.181 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1139 -5.754 -9.041 2.911 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1139 -6.041 -8.224 1.669 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1140 0.528 -8.439 3.699 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1140 -0.410 -8.327 3.548 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1140 0.825 -7.582 4.005 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1141 -4.273 -4.683 2.585 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1141 -4.453 -4.837 1.657 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1141 -3.322 -4.575 2.629 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1142 4.587 -6.265 2.771 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1142 4.684 -5.598 2.091 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1142 4.447 -7.081 2.289 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1143 3.835 -8.857 1.888 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1143 4.445 -9.229 2.525 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1143 2.998 -9.279 2.084 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1144 5.947 -9.972 3.431 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1144 6.360 -10.693 2.955 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1144 6.629 -9.302 3.489 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1145 -11.610 11.320 -38.025 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1145 -10.691 11.198 -37.789 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1145 -12.060 10.570 -37.636 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1146 -11.808 7.627 -41.666 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1146 -12.473 7.381 -41.023 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1146 -12.251 8.249 -42.243 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1147 -9.374 7.648 -38.318 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1147 -9.740 6.883 -37.875 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1147 -8.461 7.677 -38.031 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1148 -8.952 15.160 -24.009 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1148 -8.910 14.534 -23.285 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1148 -8.249 15.783 -23.827 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1149 -11.418 13.270 -30.081 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1149 -11.866 14.116 -30.099 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1149 -11.979 12.690 -30.596 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1150 -10.708 15.432 -27.955 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1150 -10.494 14.662 -27.428 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1150 -9.970 15.521 -28.558 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1151 -10.015 12.870 -26.834 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1151 -9.361 12.320 -26.402 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1151 -9.991 12.596 -27.750 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1152 -7.825 9.391 -23.522 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1152 -8.044 9.921 -24.288 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1152 -8.493 9.618 -22.874 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1153 -8.231 11.283 -25.569 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1153 -7.618 11.916 -25.196 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1153 -7.719 10.811 -26.226 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1154 -8.314 15.740 -21.155 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1154 -8.244 16.391 -20.457 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1154 -9.205 15.843 -21.490 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1155 -11.398 17.807 -22.330 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1155 -11.899 17.779 -23.145 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1155 -11.392 16.901 -22.020 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1156 -11.647 20.587 -25.446 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1156 -10.701 20.443 -25.465 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1156 -11.760 21.371 -24.909 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1157 -8.689 12.886 -22.329 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1157 -8.727 13.286 -21.461 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1157 -9.180 12.069 -22.239 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1158 -10.806 10.748 -33.055 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1158 -10.332 11.339 -33.640 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1158 -11.524 11.279 -32.708 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1159 -9.032 11.843 -29.371 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1159 -9.921 11.943 -29.711 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1159 -8.736 11.001 -29.717 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1160 -8.570 17.595 -19.049 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1160 -7.837 17.849 -18.488 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1160 -9.350 17.799 -18.534 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1161 -11.237 15.359 -21.128 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1161 -11.014 14.941 -20.296 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1161 -11.839 14.746 -21.550 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1162 -9.603 10.112 -21.570 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1162 -10.496 10.451 -21.637 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1162 -9.702 9.257 -21.152 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1163 -8.960 7.251 -26.273 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1163 -9.189 7.310 -27.200 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1163 -9.403 6.459 -25.966 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1164 -10.834 17.614 -17.828 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1164 -10.690 16.712 -18.114 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1164 -11.607 17.900 -18.316 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1165 -10.002 14.814 -18.408 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1165 -9.594 13.957 -18.529 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1165 -10.262 14.829 -17.487 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1166 -6.055 13.823 -21.034 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1166 -6.673 14.498 -20.753 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1166 -5.711 14.144 -21.867 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1167 -5.715 11.178 -19.951 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1167 -5.565 10.449 -20.554 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1167 -5.713 11.955 -20.510 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1168 -7.237 12.376 -18.040 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1168 -8.004 11.844 -18.250 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1168 -6.558 12.066 -18.639 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1169 -11.208 16.049 -25.310 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1169 -11.024 15.967 -26.245 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1169 -10.359 15.925 -24.886 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1170 -10.389 9.632 -26.278 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1170 -9.944 8.840 -25.976 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1170 -9.923 10.348 -25.847 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1171 -12.085 12.631 -25.209 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1171 -11.593 12.410 -25.999 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1171 -11.723 13.472 -24.928 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1172 -11.772 8.889 -31.154 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1172 -12.697 9.098 -31.284 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1172 -11.318 9.373 -31.844 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1173 -11.808 7.627 -22.810 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1173 -12.473 7.381 -22.167 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1173 -12.251 8.249 -23.387 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1174 -9.332 7.134 -28.979 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1174 -10.109 6.900 -29.487 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1174 -8.801 6.337 -28.971 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1175 -10.495 6.932 -33.176 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1175 -10.056 7.543 -33.767 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1175 -11.129 7.470 -32.702 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1176 -7.401 6.999 -17.926 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1176 -6.502 6.725 -18.111 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1176 -7.787 6.256 -17.462 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1177 -10.708 15.432 -9.099 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1177 -10.494 14.662 -8.572 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1177 -9.970 15.521 -9.702 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1178 -6.635 10.473 -8.740 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1178 -6.592 11.333 -9.158 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1178 -7.093 9.921 -9.373 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1179 -10.015 12.870 -7.978 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1179 -9.361 12.320 -7.546 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1179 -9.991 12.596 -8.894 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1180 -8.231 11.283 -6.713 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1180 -7.618 11.916 -6.340 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1180 -7.719 10.811 -7.370 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1181 -7.491 15.444 -12.289 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1181 -7.783 16.212 -12.780 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1181 -8.165 14.784 -12.452 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1182 -6.442 12.787 -10.428 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1182 -7.335 12.446 -10.487 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1182 -5.991 12.410 -11.184 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1183 -5.323 10.260 -16.675 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1183 -5.754 9.815 -15.945 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1183 -6.041 10.632 -17.187 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1184 -9.032 11.843 -10.515 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1184 -9.921 11.943 -10.855 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1184 -8.736 11.001 -10.861 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1185 -6.705 13.038 -15.292 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1185 -7.247 12.658 -15.983 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1185 -5.871 13.232 -15.721 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1186 -7.538 9.138 -11.037 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1186 -7.855 8.236 -11.072 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1186 -6.757 9.140 -11.589 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1187 -10.115 15.278 -15.595 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1187 -9.499 15.905 -15.216 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1187 -10.977 15.594 -15.324 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1188 -8.700 17.191 -14.103 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1188 -9.386 17.543 -13.536 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1188 -8.177 17.954 -14.349 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1189 -6.343 9.377 -14.266 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1189 -6.426 10.266 -13.920 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1189 -5.453 9.112 -14.035 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1190 -9.768 12.469 -16.090 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1190 -9.813 13.408 -15.911 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1190 -10.656 12.233 -16.360 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1191 -8.960 7.251 -7.417 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1191 -9.189 7.310 -8.344 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1191 -9.403 6.459 -7.110 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1192 -10.807 19.500 -15.787 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1192 -9.893 19.579 -15.514 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1192 -10.800 18.813 -16.454 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1193 -10.389 9.632 -7.422 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1193 -9.944 8.840 -7.120 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1193 -9.923 10.348 -6.991 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1194 -12.085 12.631 -6.353 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1194 -11.593 12.410 -7.143 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1194 -11.723 13.472 -6.072 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1195 -9.332 7.134 -10.123 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1195 -10.109 6.900 -10.631 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1195 -8.801 6.337 -10.115 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1196 -10.495 6.932 -14.320 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1196 -10.056 7.543 -14.911 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1196 -11.129 7.470 -13.846 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1197 -8.634 8.848 -15.877 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1197 -8.143 8.218 -16.405 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1197 -8.011 9.144 -15.214 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1198 10.828 -18.102 -6.618 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1198 10.458 -18.904 -6.987 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1198 11.769 -18.271 -6.571 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1199 18.353 -14.123 -8.232 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1199 18.973 -14.800 -8.505 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1199 18.145 -14.341 -7.324 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1200 11.861 -16.098 -0.764 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1200 11.869 -16.234 -1.712 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1200 10.945 -16.216 -0.512 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1201 7.209 -17.125 -6.590 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1201 8.155 -17.269 -6.609 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1201 7.096 -16.341 -6.053 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1202 16.799 -13.113 -12.226 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1202 16.724 -13.234 -13.172 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1202 16.832 -12.163 -12.107 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1203 10.453 -14.324 -10.445 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1203 10.605 -14.672 -9.566 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1203 9.602 -14.680 -10.700 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1204 9.707 -18.582 -2.431 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1204 9.924 -18.943 -1.571 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1204 8.852 -18.956 -2.641 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1205 12.986 -17.296 -10.182 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1205 13.513 -16.523 -10.383 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1205 12.106 -17.071 -10.484 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1206 14.928 -15.484 -4.291 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1206 15.291 -14.629 -4.524 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1206 15.460 -15.776 -3.550 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1207 13.097 -14.611 -11.061 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1207 12.147 -14.506 -11.009 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1207 13.448 -13.791 -10.716 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1208 8.904 -15.795 -4.279 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1208 9.121 -16.727 -4.310 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1208 9.151 -15.521 -3.395 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1209 13.779 -15.033 -13.882 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1209 13.940 -14.233 -14.383 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1209 13.582 -14.726 -12.997 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1210 8.826 -16.521 -11.256 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1210 7.994 -16.048 -11.229 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1210 9.372 -16.011 -11.855 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1211 8.115 -13.908 0.074 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1211 8.655 -14.125 0.833 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1211 7.634 -14.714 -0.116 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1212 14.481 -12.848 -15.270 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1212 15.414 -12.690 -15.126 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1212 14.217 -12.173 -15.895 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1213 6.698 -12.819 -10.710 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1213 6.051 -13.281 -11.243 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1213 7.053 -13.491 -10.127 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1214 7.568 -14.738 -8.905 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1214 7.234 -15.619 -8.733 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1214 7.790 -14.393 -8.041 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1215 12.194 -15.935 -3.551 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1215 11.769 -15.126 -3.834 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1215 13.099 -15.850 -3.853 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1216 16.774 -13.191 -5.298 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1216 16.317 -12.662 -5.952 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1216 16.937 -12.588 -4.573 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1217 11.152 -15.346 -7.938 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1217 10.933 -16.262 -7.769 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1217 11.976 -15.206 -7.472 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1218 13.689 -14.876 -7.090 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1218 13.902 -15.764 -7.377 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1218 13.754 -14.910 -6.135 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1219 8.262 -14.832 -13.422 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1219 7.577 -14.870 -14.090 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1219 8.265 -13.919 -13.134 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1220 10.080 -13.912 2.459 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1220 9.812 -13.625 3.332 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1220 10.851 -14.458 2.611 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1221 14.934 -10.875 -17.302 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1221 14.803 -11.351 -18.123 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1221 14.335 -10.131 -17.358 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1222 7.048 -11.229 -22.810 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1222 6.383 -11.475 -22.167 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1222 6.605 -10.607 -23.387 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1223 17.536 -3.311 -6.746 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1223 17.498 -3.957 -6.041 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1223 17.213 -3.777 -7.517 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1224 9.904 -3.696 -5.153 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1224 9.946 -4.322 -4.429 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1224 10.607 -3.073 -4.971 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1225 7.438 -5.586 -11.225 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1225 6.990 -4.740 -11.243 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1225 6.877 -6.166 -11.740 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1226 8.148 -3.424 -9.099 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1226 8.362 -4.194 -8.572 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1226 8.886 -3.335 -9.702 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1227 19.066 -6.484 -6.012 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1227 19.209 -7.431 -5.992 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1227 18.960 -6.277 -6.941 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1228 19.943 -8.252 -10.339 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1228 20.589 -8.581 -9.714 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1228 20.453 -7.734 -10.962 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1229 13.997 -4.436 -8.762 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1229 14.613 -4.962 -8.253 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1229 13.411 -5.076 -9.166 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1230 13.600 -1.789 -4.378 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1230 12.860 -1.191 -4.275 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1230 14.314 -1.235 -4.694 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1231 15.057 -12.159 -7.213 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1231 14.940 -13.108 -7.267 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1231 14.202 -11.827 -6.940 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1232 17.324 -3.322 -12.713 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1232 16.612 -2.787 -13.064 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1232 18.015 -3.266 -13.373 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1233 17.378 -4.864 -15.674 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1233 18.079 -4.842 -15.023 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1233 17.680 -5.492 -16.330 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1234 12.375 -2.482 -9.878 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1234 12.045 -2.852 -10.697 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1234 12.963 -3.152 -9.532 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1235 12.742 -3.713 -6.245 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1235 13.307 -3.592 -7.008 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1235 13.061 -3.076 -5.606 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1236 10.542 -3.116 -2.299 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1236 10.612 -2.465 -1.601 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1236 9.651 -3.013 -2.634 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1237 11.365 -3.412 -12.289 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1237 11.073 -2.644 -12.780 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1237 10.691 -4.072 -12.452 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1238 16.989 -11.534 -3.061 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1238 17.409 -11.949 -2.308 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1238 16.056 -11.712 -2.944 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1239 16.651 -9.041 -15.776 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1239 16.397 -9.022 -14.853 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1239 16.394 -9.913 -16.077 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1240 17.950 -5.653 -11.611 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1240 17.541 -4.838 -11.903 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1240 18.670 -5.793 -12.226 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1241 18.954 -6.207 -8.797 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1241 18.759 -5.602 -9.512 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1241 19.136 -7.041 -9.232 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1242 13.533 -8.596 -16.675 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1242 13.102 -9.041 -15.945 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1242 12.815 -8.224 -17.187 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1243 6.775 -8.854 -9.623 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1243 7.406 -8.883 -8.903 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1243 7.225 -9.279 -10.353 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1244 8.050 -8.108 -14.199 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1244 8.524 -7.517 -14.784 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1244 7.332 -7.577 -13.852 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1245 19.401 -9.407 -6.078 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1245 18.724 -9.276 -5.414 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1245 18.915 -9.562 -6.888 0.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1246 12.151 -5.818 -15.292 0.00 0.00 WAT1 ATOM 5594 H1 TIP3 1246 11.609 -6.198 -15.983 0.00 0.00 WAT1 ATOM 5595 H2 TIP3 1246 12.985 -5.624 -15.721 0.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1247 16.316 -5.854 -7.455 0.00 0.00 WAT1 ATOM 5597 H1 TIP3 1247 16.880 -6.401 -8.002 0.00 0.00 WAT1 ATOM 5598 H2 TIP3 1247 16.168 -6.376 -6.666 0.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1248 14.942 -7.466 -5.041 0.00 0.00 WAT1 ATOM 5600 H1 TIP3 1248 14.107 -7.012 -4.931 0.00 0.00 WAT1 ATOM 5601 H2 TIP3 1248 15.466 -7.190 -4.289 0.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1249 19.384 -8.439 -15.157 0.00 0.00 WAT1 ATOM 5603 H1 TIP3 1249 18.446 -8.327 -15.308 0.00 0.00 WAT1 ATOM 5604 H2 TIP3 1249 19.681 -7.582 -14.851 0.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1250 20.102 -6.572 -13.496 0.00 0.00 WAT1 ATOM 5606 H1 TIP3 1250 20.994 -6.709 -13.177 0.00 0.00 WAT1 ATOM 5607 H2 TIP3 1250 20.159 -5.781 -14.033 0.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1251 10.611 -1.958 -7.587 0.00 0.00 WAT1 ATOM 5609 H1 TIP3 1251 11.356 -1.960 -8.188 0.00 0.00 WAT1 ATOM 5610 H2 TIP3 1251 10.689 -2.782 -7.105 0.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1252 7.619 -3.497 -2.272 0.00 0.00 WAT1 ATOM 5612 H1 TIP3 1252 7.842 -3.915 -1.440 0.00 0.00 WAT1 ATOM 5613 H2 TIP3 1252 7.017 -4.110 -2.694 0.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1253 14.413 -0.777 -10.606 0.00 0.00 WAT1 ATOM 5615 H1 TIP3 1253 14.172 0.148 -10.564 0.00 0.00 WAT1 ATOM 5616 H2 TIP3 1253 13.673 -1.236 -10.210 0.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1254 17.988 -9.003 -3.824 0.00 0.00 WAT1 ATOM 5618 H1 TIP3 1254 18.686 -8.929 -3.174 0.00 0.00 WAT1 ATOM 5619 H2 TIP3 1254 17.607 -9.867 -3.669 0.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1255 18.772 -9.351 -12.727 0.00 0.00 WAT1 ATOM 5621 H1 TIP3 1255 18.992 -8.879 -13.530 0.00 0.00 WAT1 ATOM 5622 H2 TIP3 1255 19.330 -8.956 -12.056 0.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1256 16.508 -6.637 -2.707 0.00 0.00 WAT1 ATOM 5624 H1 TIP3 1256 16.627 -6.063 -1.950 0.00 0.00 WAT1 ATOM 5625 H2 TIP3 1256 17.163 -7.325 -2.592 0.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1257 16.856 -10.542 -10.954 0.00 0.00 WAT1 ATOM 5627 H1 TIP3 1257 16.509 -9.924 -10.309 0.00 0.00 WAT1 ATOM 5628 H2 TIP3 1257 17.514 -10.041 -11.435 0.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1258 12.513 -9.479 -14.266 0.00 0.00 WAT1 ATOM 5630 H1 TIP3 1258 12.430 -8.590 -13.920 0.00 0.00 WAT1 ATOM 5631 H2 TIP3 1258 13.403 -9.744 -14.035 0.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1259 9.088 -6.387 -16.090 0.00 0.00 WAT1 ATOM 5633 H1 TIP3 1259 9.043 -5.448 -15.911 0.00 0.00 WAT1 ATOM 5634 H2 TIP3 1259 8.200 -6.623 -16.360 0.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1260 8.854 -4.042 0.448 0.00 0.00 WAT1 ATOM 5636 H1 TIP3 1260 9.262 -4.899 0.327 0.00 0.00 WAT1 ATOM 5637 H2 TIP3 1260 8.594 -4.027 1.369 0.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1261 13.512 -2.926 -14.534 0.00 0.00 WAT1 ATOM 5639 H1 TIP3 1261 13.053 -3.410 -13.848 0.00 0.00 WAT1 ATOM 5640 H2 TIP3 1261 13.767 -3.594 -15.170 0.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1262 12.801 -5.033 -2.178 0.00 0.00 WAT1 ATOM 5642 H1 TIP3 1262 12.183 -4.358 -1.897 0.00 0.00 WAT1 ATOM 5643 H2 TIP3 1262 13.145 -4.712 -3.011 0.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1263 14.583 -4.683 -16.271 0.00 0.00 WAT1 ATOM 5645 H1 TIP3 1263 14.403 -4.837 -17.199 0.00 0.00 WAT1 ATOM 5646 H2 TIP3 1263 15.534 -4.575 -16.227 0.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1264 13.141 -7.678 -1.095 0.00 0.00 WAT1 ATOM 5648 H1 TIP3 1264 13.291 -8.407 -1.698 0.00 0.00 WAT1 ATOM 5649 H2 TIP3 1264 13.143 -6.901 -1.654 0.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1265 15.135 -3.869 -3.363 0.00 0.00 WAT1 ATOM 5651 H1 TIP3 1265 15.886 -4.025 -3.936 0.00 0.00 WAT1 ATOM 5652 H2 TIP3 1265 14.796 -3.017 -3.639 0.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1266 11.619 -6.480 0.816 0.00 0.00 WAT1 ATOM 5654 H1 TIP3 1266 10.852 -7.012 0.606 0.00 0.00 WAT1 ATOM 5655 H2 TIP3 1266 12.298 -6.790 0.217 0.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1267 14.359 -11.852 -3.171 0.00 0.00 WAT1 ATOM 5657 H1 TIP3 1267 14.261 -10.905 -3.277 0.00 0.00 WAT1 ATOM 5658 H2 TIP3 1267 13.616 -12.224 -3.647 0.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1268 15.623 -7.530 0.392 0.00 0.00 WAT1 ATOM 5660 H1 TIP3 1268 15.387 -7.750 1.294 0.00 0.00 WAT1 ATOM 5661 H2 TIP3 1268 14.840 -7.737 -0.117 0.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1269 9.800 -8.559 0.521 0.00 0.00 WAT1 ATOM 5663 H1 TIP3 1269 10.011 -9.266 -0.090 0.00 0.00 WAT1 ATOM 5664 H2 TIP3 1269 9.688 -8.997 1.365 0.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1270 14.581 -12.558 -0.500 0.00 0.00 WAT1 ATOM 5666 H1 TIP3 1270 15.293 -13.198 -0.514 0.00 0.00 WAT1 ATOM 5667 H2 TIP3 1270 14.480 -12.291 -1.414 0.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1271 7.648 -2.807 -6.454 0.00 0.00 WAT1 ATOM 5669 H1 TIP3 1271 7.832 -2.889 -7.389 0.00 0.00 WAT1 ATOM 5670 H2 TIP3 1271 8.497 -2.931 -6.030 0.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1272 7.246 -7.536 -0.313 0.00 0.00 WAT1 ATOM 5672 H1 TIP3 1272 8.165 -7.658 -0.077 0.00 0.00 WAT1 ATOM 5673 H2 TIP3 1272 6.796 -8.286 0.076 0.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1273 7.084 -9.967 -12.298 0.00 0.00 WAT1 ATOM 5675 H1 TIP3 1273 6.159 -9.758 -12.428 0.00 0.00 WAT1 ATOM 5676 H2 TIP3 1273 7.538 -9.483 -12.988 0.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1274 17.198 -10.356 -7.945 0.00 0.00 WAT1 ATOM 5678 H1 TIP3 1274 16.523 -10.985 -7.690 0.00 0.00 WAT1 ATOM 5679 H2 TIP3 1274 17.762 -10.840 -8.548 0.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1275 8.361 -11.924 -14.320 0.00 0.00 WAT1 ATOM 5681 H1 TIP3 1275 8.800 -11.313 -14.911 0.00 0.00 WAT1 ATOM 5682 H2 TIP3 1275 7.727 -11.386 -13.846 0.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1276 19.661 -11.765 -8.661 0.00 0.00 WAT1 ATOM 5684 H1 TIP3 1276 19.737 -11.670 -9.610 0.00 0.00 WAT1 ATOM 5685 H2 TIP3 1276 19.385 -12.673 -8.532 0.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1277 10.222 -10.008 -15.877 0.00 0.00 WAT1 ATOM 5687 H1 TIP3 1277 10.713 -10.638 -16.405 0.00 0.00 WAT1 ATOM 5688 H2 TIP3 1277 10.845 -9.712 -15.214 0.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1278 15.248 -9.715 -13.420 0.00 0.00 WAT1 ATOM 5690 H1 TIP3 1278 15.426 -10.361 -12.737 0.00 0.00 WAT1 ATOM 5691 H2 TIP3 1278 15.194 -8.881 -12.953 0.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1279 9.482 -11.208 -0.606 0.00 0.00 WAT1 ATOM 5693 H1 TIP3 1279 9.116 -11.973 -0.163 0.00 0.00 WAT1 ATOM 5694 H2 TIP3 1279 10.395 -11.179 -0.319 0.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1280 11.455 -11.857 0.930 0.00 0.00 WAT1 ATOM 5696 H1 TIP3 1280 12.354 -12.131 0.745 0.00 0.00 WAT1 ATOM 5697 H2 TIP3 1280 11.069 -12.600 1.394 0.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1281 13.533 -8.596 2.181 0.00 0.00 WAT1 ATOM 5699 H1 TIP3 1281 13.102 -9.041 2.911 0.00 0.00 WAT1 ATOM 5700 H2 TIP3 1281 12.815 -8.224 1.669 0.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1282 9.088 -6.387 2.766 0.00 0.00 WAT1 ATOM 5702 H1 TIP3 1282 9.043 -5.448 2.945 0.00 0.00 WAT1 ATOM 5703 H2 TIP3 1282 8.200 -6.623 2.496 0.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1283 10.222 -10.008 2.979 0.00 0.00 WAT1 ATOM 5705 H1 TIP3 1283 10.713 -10.638 2.451 0.00 0.00 WAT1 ATOM 5706 H2 TIP3 1283 10.845 -9.712 3.642 0.00 0.00 WAT1 END