REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:10-Jun-2010 13:35:05 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -30.384 7.642 -2.986 1.00 52.21 ATOM 2 CB MET 1 -31.388 9.312 -3.874 1.00 55.35 ATOM 3 HB1 MET 1 -30.740 9.396 -4.735 1.00 37.53 ATOM 4 HB2 MET 1 -31.696 10.302 -3.569 1.00 63.13 ATOM 5 CG MET 1 -32.630 8.528 -4.265 1.00 35.53 ATOM 6 HG1 MET 1 -33.376 8.656 -3.495 1.00 37.53 ATOM 7 HG2 MET 1 -32.376 7.480 -4.347 1.00 15.44 ATOM 8 SD MET 1 -33.327 9.067 -5.838 1.00 31.01 ATOM 9 CE MET 1 -31.986 8.669 -6.956 1.00 42.33 ATOM 10 HE1 MET 1 -31.210 9.415 -6.870 1.00 32.44 ATOM 11 HE2 MET 1 -32.357 8.651 -7.970 1.00 24.14 ATOM 12 HE3 MET 1 -31.583 7.700 -6.703 1.00 1.30 ATOM 13 C MET 1 -29.273 9.411 -2.542 1.00 15.41 ATOM 14 O MET 1 -29.201 10.392 -1.802 1.00 61.41 ATOM 15 N MET 1 -31.378 8.682 -1.504 1.00 13.21 ATOM 16 HT1 MET 1 -32.250 8.125 -1.622 1.00 37.53 ATOM 17 HT2 MET 1 -31.639 9.657 -1.237 1.00 37.53 ATOM 18 HT3 MET 1 -30.828 8.262 -0.723 1.00 37.53 ATOM 19 CA MET 1 -30.594 8.673 -2.734 1.00 15.14 ATOM 20 N GLY 2 -28.230 8.933 -3.214 1.00 12.25 ATOM 21 HN GLY 2 -28.347 8.149 -3.802 1.00 37.53 ATOM 22 CA GLY 2 -26.926 9.560 -3.103 1.00 11.13 ATOM 23 HA1 GLY 2 -26.755 9.863 -2.076 1.00 37.53 ATOM 24 HA2 GLY 2 -26.913 10.440 -3.730 1.00 4.43 ATOM 25 C GLY 2 -25.801 8.636 -3.523 1.00 62.32 ATOM 26 O GLY 2 -25.886 7.420 -3.343 1.00 4.52 ATOM 27 N HIS 3 -24.744 9.211 -4.087 1.00 44.32 ATOM 28 HN HIS 3 -24.729 10.189 -4.209 1.00 37.53 ATOM 29 CA HIS 3 -23.597 8.430 -4.536 1.00 45.10 ATOM 30 HA HIS 3 -23.654 7.438 -4.101 1.00 41.43 ATOM 31 CB HIS 3 -23.616 8.284 -6.058 1.00 11.21 ATOM 32 HB1 HIS 3 -24.458 7.667 -6.337 1.00 37.53 ATOM 33 HB2 HIS 3 -22.705 7.805 -6.391 1.00 32.21 ATOM 34 CG HIS 3 -23.747 9.588 -6.783 1.00 3.10 ATOM 35 ND1 HIS 3 -22.699 10.185 -7.452 1.00 53.41 ATOM 36 HD1 HIS 3 -21.788 9.831 -7.521 1.00 52.23 ATOM 37 CD2 HIS 3 -24.811 10.409 -6.943 1.00 43.41 ATOM 38 HD2 HIS 3 -25.806 10.253 -6.550 1.00 40.44 ATOM 39 CE1 HIS 3 -23.113 11.318 -7.991 1.00 1.52 ATOM 40 HE1 HIS 3 -22.510 11.998 -8.574 1.00 1.11 ATOM 41 NE2 HIS 3 -24.391 11.477 -7.697 1.00 42.51 ATOM 42 HE2 HIS 3 -24.921 12.277 -7.895 1.00 37.53 ATOM 43 C HIS 3 -22.289 9.080 -4.092 1.00 55.12 ATOM 44 O HIS 3 -21.957 10.186 -4.521 1.00 30.41 ATOM 45 N HIS 4 -21.552 8.387 -3.230 1.00 71.13 ATOM 46 HN HIS 4 -21.872 7.507 -2.917 1.00 37.53 ATOM 47 CA HIS 4 -20.281 8.897 -2.728 1.00 72.02 ATOM 48 HA HIS 4 -19.653 9.125 -3.582 1.00 72.52 ATOM 49 CB HIS 4 -20.504 10.179 -1.925 1.00 24.31 ATOM 50 HB1 HIS 4 -21.006 10.911 -2.534 1.00 37.53 ATOM 51 HB2 HIS 4 -19.545 10.577 -1.625 1.00 1.35 ATOM 52 CG HIS 4 -21.318 9.975 -0.685 1.00 32.42 ATOM 53 ND1 HIS 4 -22.693 10.073 -0.663 1.00 14.30 ATOM 54 HD1 HIS 4 -23.264 10.281 -1.432 1.00 53.11 ATOM 55 CD2 HIS 4 -20.944 9.674 0.581 1.00 60.02 ATOM 56 HD2 HIS 4 -19.933 9.522 0.931 1.00 21.12 ATOM 57 CE1 HIS 4 -23.130 9.844 0.563 1.00 63.13 ATOM 58 HE1 HIS 4 -24.163 9.855 0.878 1.00 51.43 ATOM 59 NE2 HIS 4 -22.088 9.598 1.337 1.00 40.53 ATOM 60 HE2 HIS 4 -22.121 9.489 2.310 1.00 37.53 ATOM 61 C HIS 4 -19.582 7.854 -1.862 1.00 4.35 ATOM 62 O HIS 4 -20.213 7.192 -1.038 1.00 33.32 ATOM 63 N HIS 5 -18.274 7.713 -2.053 1.00 42.43 ATOM 64 HN HIS 5 -17.819 8.261 -2.735 1.00 37.53 ATOM 65 CA HIS 5 -17.488 6.751 -1.289 1.00 34.20 ATOM 66 HA HIS 5 -18.049 6.467 -0.403 1.00 74.43 ATOM 67 CB HIS 5 -17.222 5.499 -2.126 1.00 1.23 ATOM 68 HB1 HIS 5 -16.383 4.953 -1.709 1.00 37.53 ATOM 69 HB2 HIS 5 -16.980 5.791 -3.138 1.00 14.21 ATOM 70 CG HIS 5 -18.384 4.556 -2.180 1.00 11.13 ATOM 71 ND1 HIS 5 -18.829 3.847 -1.084 1.00 74.02 ATOM 72 HD1 HIS 5 -18.444 3.883 -0.184 1.00 71.33 ATOM 73 CD2 HIS 5 -19.195 4.208 -3.206 1.00 52.51 ATOM 74 HD2 HIS 5 -19.136 4.574 -4.222 1.00 35.11 ATOM 75 CE1 HIS 5 -19.863 3.103 -1.435 1.00 21.43 ATOM 76 HE1 HIS 5 -20.417 2.443 -0.783 1.00 52.10 ATOM 77 NE2 HIS 5 -20.106 3.304 -2.717 1.00 65.04 ATOM 78 HE2 HIS 5 -20.757 2.805 -3.253 1.00 37.53 ATOM 79 C HIS 5 -16.167 7.365 -0.836 1.00 53.20 ATOM 80 O HIS 5 -15.448 7.972 -1.631 1.00 14.25 ATOM 81 N HIS 6 -15.854 7.204 0.446 1.00 41.13 ATOM 82 HN HIS 6 -16.474 6.721 1.042 1.00 37.53 ATOM 83 CA HIS 6 -14.619 7.743 1.004 1.00 11.24 ATOM 84 HA HIS 6 -13.872 7.786 0.215 1.00 31.31 ATOM 85 CB HIS 6 -14.851 9.156 1.541 1.00 35.23 ATOM 86 HB1 HIS 6 -14.040 9.432 2.205 1.00 37.53 ATOM 87 HB2 HIS 6 -15.780 9.179 2.092 1.00 53.14 ATOM 88 CG HIS 6 -14.925 10.199 0.470 1.00 41.54 ATOM 89 ND1 HIS 6 -15.988 11.067 0.336 1.00 40.41 ATOM 90 HD1 HIS 6 -16.783 11.091 0.909 1.00 4.32 ATOM 91 CD2 HIS 6 -14.058 10.513 -0.522 1.00 11.15 ATOM 92 HD2 HIS 6 -13.109 10.034 -0.719 1.00 14.21 ATOM 93 CE1 HIS 6 -15.773 11.869 -0.692 1.00 62.42 ATOM 94 HE1 HIS 6 -16.436 12.651 -1.033 1.00 53.02 ATOM 95 NE2 HIS 6 -14.608 11.553 -1.230 1.00 11.35 ATOM 96 HE2 HIS 6 -14.250 11.928 -2.062 1.00 37.53 ATOM 97 C HIS 6 -14.088 6.844 2.117 1.00 52.31 ATOM 98 O HIS 6 -14.650 6.797 3.212 1.00 62.42 ATOM 99 N HIS 7 -13.003 6.132 1.829 1.00 53.11 ATOM 100 HN HIS 7 -12.584 6.216 0.940 1.00 37.53 ATOM 101 CA HIS 7 -12.397 5.234 2.805 1.00 2.23 ATOM 102 HA HIS 7 -13.106 5.048 3.607 1.00 12.34 ATOM 103 CB HIS 7 -12.053 3.895 2.153 1.00 34.52 ATOM 104 HB1 HIS 7 -11.497 3.284 2.855 1.00 37.53 ATOM 105 HB2 HIS 7 -11.442 4.074 1.281 1.00 73.10 ATOM 106 CG HIS 7 -13.256 3.111 1.726 1.00 20.41 ATOM 107 ND1 HIS 7 -14.162 2.576 2.618 1.00 43.21 ATOM 108 HD1 HIS 7 -14.116 2.650 3.594 1.00 61.03 ATOM 109 CD2 HIS 7 -13.701 2.773 0.493 1.00 44.31 ATOM 110 HD2 HIS 7 -13.234 3.027 -0.448 1.00 43.01 ATOM 111 CE1 HIS 7 -15.110 1.942 1.952 1.00 54.50 ATOM 112 HE1 HIS 7 -15.952 1.426 2.389 1.00 23.33 ATOM 113 NE2 HIS 7 -14.854 2.048 0.660 1.00 33.45 ATOM 114 HE2 HIS 7 -15.347 1.590 -0.053 1.00 37.53 ATOM 115 C HIS 7 -11.141 5.856 3.409 1.00 52.21 ATOM 116 O HIS 7 -10.045 5.720 2.864 1.00 11.23 ATOM 117 N HIS 8 -11.309 6.540 4.537 1.00 63.14 ATOM 118 HN HIS 8 -12.215 6.621 4.922 1.00 37.53 ATOM 119 CA HIS 8 -10.189 7.183 5.214 1.00 4.22 ATOM 120 HA HIS 8 -9.392 6.452 5.304 1.00 21.03 ATOM 121 CB HIS 8 -9.689 8.376 4.399 1.00 52.42 ATOM 122 HB1 HIS 8 -10.353 9.220 4.537 1.00 37.53 ATOM 123 HB2 HIS 8 -9.673 8.115 3.352 1.00 60.55 ATOM 124 CG HIS 8 -8.305 8.815 4.765 1.00 23.41 ATOM 125 ND1 HIS 8 -8.050 9.868 5.618 1.00 25.52 ATOM 126 HD1 HIS 8 -8.726 10.424 6.059 1.00 0.23 ATOM 127 CD2 HIS 8 -7.096 8.335 4.390 1.00 21.20 ATOM 128 HD2 HIS 8 -6.916 7.504 3.722 1.00 71.51 ATOM 129 CE1 HIS 8 -6.744 10.017 5.751 1.00 43.44 ATOM 130 HE1 HIS 8 -6.252 10.762 6.359 1.00 71.14 ATOM 131 NE2 HIS 8 -6.142 9.099 5.016 1.00 52.31 ATOM 132 HE2 HIS 8 -5.178 8.923 5.011 1.00 37.53 ATOM 133 C HIS 8 -10.590 7.640 6.613 1.00 11.33 ATOM 134 O HIS 8 -11.751 7.966 6.861 1.00 31.33 ATOM 135 N SER 9 -9.622 7.662 7.524 1.00 33.52 ATOM 136 HN SER 9 -8.708 7.393 7.274 1.00 37.53 ATOM 137 CA SER 9 -9.876 8.074 8.900 1.00 50.34 ATOM 138 HA SER 9 -10.920 8.352 9.000 1.00 63.13 ATOM 139 CB SER 9 -9.603 6.916 9.861 1.00 73.54 ATOM 140 HB1 SER 9 -10.134 6.038 9.523 1.00 37.53 ATOM 141 HB2 SER 9 -9.944 7.183 10.850 1.00 74.32 ATOM 142 OG SER 9 -8.219 6.618 9.921 1.00 10.44 ATOM 143 HG SER 9 -8.050 6.030 10.661 1.00 21.02 ATOM 144 C SER 9 -9.013 9.275 9.275 1.00 65.15 ATOM 145 O SER 9 -7.784 9.217 9.204 1.00 14.15 ATOM 146 N HIS 10 -9.664 10.363 9.673 1.00 61.00 ATOM 147 HN HIS 10 -10.650 10.349 9.710 1.00 37.53 ATOM 148 CA HIS 10 -8.957 11.579 10.060 1.00 22.40 ATOM 149 HA HIS 10 -8.334 11.885 9.227 1.00 74.14 ATOM 150 CB HIS 10 -9.953 12.691 10.388 1.00 72.01 ATOM 151 HB1 HIS 10 -9.535 13.360 11.131 1.00 37.53 ATOM 152 HB2 HIS 10 -10.861 12.258 10.784 1.00 73.31 ATOM 153 CG HIS 10 -10.328 13.528 9.203 1.00 30.55 ATOM 154 ND1 HIS 10 -10.209 13.086 7.903 1.00 51.35 ATOM 155 HD1 HIS 10 -9.884 12.206 7.620 1.00 11.14 ATOM 156 CD2 HIS 10 -10.824 14.785 9.129 1.00 64.11 ATOM 157 HD2 HIS 10 -11.046 15.437 9.962 1.00 73.14 ATOM 158 CE1 HIS 10 -10.614 14.037 7.079 1.00 64.31 ATOM 159 HE1 HIS 10 -10.634 13.973 6.001 1.00 35.32 ATOM 160 NE2 HIS 10 -10.992 15.078 7.798 1.00 71.00 ATOM 161 HE2 HIS 10 -11.421 15.884 7.442 1.00 37.53 ATOM 162 C HIS 10 -8.051 11.321 11.260 1.00 4.11 ATOM 163 O HIS 10 -8.082 10.244 11.854 1.00 60.43 ATOM 164 N MET 11 -7.244 12.317 11.611 1.00 41.42 ATOM 165 HN MET 11 -7.258 13.153 11.093 1.00 37.53 ATOM 166 CA MET 11 -6.329 12.198 12.740 1.00 13.14 ATOM 167 HA MET 11 -6.274 11.161 13.050 1.00 23.40 ATOM 168 CB MET 11 -4.924 12.649 12.336 1.00 32.33 ATOM 169 HB1 MET 11 -4.644 12.118 11.436 1.00 37.53 ATOM 170 HB2 MET 11 -4.234 12.389 13.126 1.00 31.54 ATOM 171 CG MET 11 -4.816 14.143 12.079 1.00 62.13 ATOM 172 HG1 MET 11 -4.844 14.660 13.027 1.00 37.53 ATOM 173 HG2 MET 11 -5.649 14.467 11.474 1.00 53.04 ATOM 174 SD MET 11 -3.286 14.593 11.237 1.00 12.41 ATOM 175 CE MET 11 -3.755 14.344 9.526 1.00 21.14 ATOM 176 HE1 MET 11 -4.042 13.314 9.378 1.00 23.04 ATOM 177 HE2 MET 11 -2.918 14.580 8.885 1.00 72.25 ATOM 178 HE3 MET 11 -4.587 14.988 9.283 1.00 40.13 ATOM 179 C MET 11 -6.819 13.023 13.926 1.00 12.31 ATOM 180 O MET 11 -6.612 12.652 15.081 1.00 64.22 ATOM 181 N ALA 12 -7.470 14.144 13.633 1.00 42.44 ATOM 182 HN ALA 12 -7.584 14.423 12.699 1.00 37.53 ATOM 183 CA ALA 12 -7.990 15.021 14.675 1.00 73.34 ATOM 184 HA ALA 12 -7.936 14.510 15.631 1.00 71.51 ATOM 185 CB ALA 12 -7.140 16.278 14.780 1.00 11.13 ATOM 186 HB1 ALA 12 -7.500 16.894 15.593 1.00 14.11 ATOM 187 HB2 ALA 12 -7.195 16.834 13.854 1.00 60.51 ATOM 188 HB3 ALA 12 -6.114 16.000 14.969 1.00 15.42 ATOM 189 C ALA 12 -9.447 15.385 14.408 1.00 2.52 ATOM 190 O ALA 12 -9.852 15.570 13.260 1.00 22.42 ATOM 191 N LYS 13 -10.231 15.488 15.476 1.00 70.11 ATOM 192 HN LYS 13 -9.855 15.340 16.374 1.00 37.53 ATOM 193 CA LYS 13 -11.643 15.831 15.358 1.00 12.34 ATOM 194 HA LYS 13 -11.878 16.054 14.325 1.00 54.35 ATOM 195 CB LYS 13 -12.514 14.648 15.788 1.00 52.43 ATOM 196 HB1 LYS 13 -13.526 14.833 15.458 1.00 37.53 ATOM 197 HB2 LYS 13 -12.514 14.569 16.870 1.00 42.34 ATOM 198 CG LYS 13 -12.068 13.320 15.202 1.00 5.12 ATOM 199 HG1 LYS 13 -11.584 13.493 14.248 1.00 37.53 ATOM 200 HG2 LYS 13 -12.940 12.708 15.038 1.00 33.00 ATOM 201 CD LYS 13 -11.089 12.607 16.120 1.00 33.33 ATOM 202 HD1 LYS 13 -10.502 13.320 16.677 1.00 37.53 ATOM 203 HD2 LYS 13 -10.431 12.002 15.516 1.00 32.52 ATOM 204 CE LYS 13 -11.810 11.698 17.104 1.00 20.32 ATOM 205 HE1 LYS 13 -12.545 12.275 17.649 1.00 37.53 ATOM 206 HE2 LYS 13 -11.085 11.298 17.798 1.00 60.43 ATOM 207 NZ LYS 13 -12.492 10.566 16.417 1.00 44.11 ATOM 208 HZ1 LYS 13 -12.810 9.869 17.121 1.00 23.23 ATOM 209 HZ2 LYS 13 -11.844 10.092 15.753 1.00 53.53 ATOM 210 HZ3 LYS 13 -13.321 10.905 15.892 1.00 64.40 ATOM 211 C LYS 13 -11.978 17.056 16.204 1.00 24.23 ATOM 212 O LYS 13 -12.662 16.968 17.224 1.00 74.34 ATOM 213 N PRO 14 -11.485 18.226 15.773 1.00 52.51 ATOM 214 CA PRO 14 -11.721 19.491 16.475 1.00 1.42 ATOM 215 HA PRO 14 -11.440 19.425 17.516 1.00 34.30 ATOM 216 CB PRO 14 -10.795 20.475 15.755 1.00 30.10 ATOM 217 HB1 PRO 14 -9.853 20.526 16.280 1.00 37.53 ATOM 218 HB2 PRO 14 -11.238 21.463 15.714 1.00 60.03 ATOM 219 CG PRO 14 -10.616 19.899 14.393 1.00 71.41 ATOM 220 HG1 PRO 14 -9.661 20.201 13.989 1.00 37.53 ATOM 221 HG2 PRO 14 -11.418 20.226 13.748 1.00 72.43 ATOM 222 CD PRO 14 -10.661 18.406 14.566 1.00 61.52 ATOM 223 HD1 PRO 14 -9.665 18.025 14.719 1.00 37.53 ATOM 224 HD2 PRO 14 -11.119 17.946 13.704 1.00 14.21 ATOM 225 C PRO 14 -13.171 19.951 16.371 1.00 51.03 ATOM 226 O PRO 14 -13.965 19.374 15.626 1.00 24.03 ATOM 227 N THR 15 -13.512 20.994 17.121 1.00 12.11 ATOM 228 HN THR 15 -12.828 21.407 17.693 1.00 37.53 ATOM 229 CA THR 15 -14.867 21.531 17.113 1.00 31.23 ATOM 230 HA THR 15 -15.565 20.701 17.056 1.00 64.15 ATOM 231 CB THR 15 -15.170 22.311 18.407 1.00 61.24 ATOM 232 HB THR 15 -15.020 21.652 19.250 1.00 61.52 ATOM 233 OG1 THR 15 -16.529 22.761 18.400 1.00 11.23 ATOM 234 HG1 THR 15 -17.108 22.042 18.665 1.00 31.51 ATOM 235 CG2 THR 15 -14.236 23.503 18.551 1.00 60.03 ATOM 236 HG21 THR 15 -14.422 24.216 17.763 1.00 71.42 ATOM 237 HG22 THR 15 -13.208 23.182 18.510 1.00 72.51 ATOM 238 HG23 THR 15 -14.418 23.978 19.504 1.00 55.02 ATOM 239 C THR 15 -15.088 22.449 15.916 1.00 31.44 ATOM 240 O THR 15 -14.161 23.108 15.449 1.00 44.44 ATOM 241 N ALA 16 -16.323 22.486 15.425 1.00 5.14 ATOM 242 HN ALA 16 -17.027 21.927 15.830 1.00 37.53 ATOM 243 CA ALA 16 -16.665 23.326 14.284 1.00 35.42 ATOM 244 HA ALA 16 -15.867 24.037 14.107 1.00 51.14 ATOM 245 CB ALA 16 -16.814 22.477 13.030 1.00 35.33 ATOM 246 HB1 ALA 16 -17.632 21.781 13.156 1.00 34.10 ATOM 247 HB2 ALA 16 -15.900 21.927 12.860 1.00 52.33 ATOM 248 HB3 ALA 16 -17.011 23.115 12.180 1.00 13.31 ATOM 249 C ALA 16 -17.944 24.113 14.547 1.00 54.50 ATOM 250 O ALA 16 -18.655 23.856 15.519 1.00 63.21 ATOM 251 N ARG 17 -18.231 25.075 13.675 1.00 33.23 ATOM 252 HN ARG 17 -17.625 25.245 12.917 1.00 37.53 ATOM 253 CA ARG 17 -19.424 25.902 13.815 1.00 70.52 ATOM 254 HA ARG 17 -20.038 25.506 14.617 1.00 3.23 ATOM 255 CB ARG 17 -19.036 27.336 14.178 1.00 14.14 ATOM 256 HB1 ARG 17 -18.408 27.737 13.394 1.00 37.53 ATOM 257 HB2 ARG 17 -18.474 27.316 15.102 1.00 44.21 ATOM 258 CG ARG 17 -20.228 28.261 14.362 1.00 54.23 ATOM 259 HG1 ARG 17 -20.857 27.868 15.148 1.00 37.53 ATOM 260 HG2 ARG 17 -20.788 28.313 13.441 1.00 44.11 ATOM 261 CD ARG 17 -19.789 29.668 14.736 1.00 13.03 ATOM 262 HD1 ARG 17 -19.466 30.167 13.833 1.00 37.53 ATOM 263 HD2 ARG 17 -18.963 29.616 15.436 1.00 32.44 ATOM 264 NE ARG 17 -20.871 30.434 15.350 1.00 60.13 ATOM 265 HE ARG 17 -21.668 29.942 15.659 1.00 72.05 ATOM 266 CZ ARG 17 -20.835 31.751 15.518 1.00 0.04 ATOM 267 NH1 ARG 17 -19.777 32.445 15.121 1.00 33.12 ATOM 268 HH11 ARG 17 -18.991 32.003 14.695 1.00 1.11 ATOM 269 HH12 ARG 17 -19.762 33.439 15.250 1.00 32.22 ATOM 270 NH2 ARG 17 -21.859 32.377 16.085 1.00 62.21 ATOM 271 HH21 ARG 17 -22.661 31.858 16.388 1.00 1.14 ATOM 272 HH22 ARG 17 -21.834 33.371 16.213 1.00 23.25 ATOM 273 C ARG 17 -20.243 25.895 12.528 1.00 54.44 ATOM 274 O ARG 17 -19.775 26.338 11.479 1.00 32.45 ATOM 275 N GLY 18 -21.470 25.390 12.615 1.00 32.03 ATOM 276 HN GLY 18 -21.804 25.047 13.474 1.00 37.53 ATOM 277 CA GLY 18 -22.335 25.335 11.451 1.00 22.11 ATOM 278 HA1 GLY 18 -22.696 24.322 11.345 1.00 37.53 ATOM 279 HA2 GLY 18 -21.786 25.594 10.553 1.00 54.32 ATOM 280 C GLY 18 -23.527 26.264 11.570 1.00 62.33 ATOM 281 O GLY 18 -23.434 27.447 11.244 1.00 30.24 ATOM 282 N GLU 19 -24.650 25.726 12.035 1.00 10.23 ATOM 283 HN GLU 19 -24.673 24.774 12.282 1.00 37.53 ATOM 284 CA GLU 19 -25.866 26.516 12.193 1.00 62.40 ATOM 285 HA GLU 19 -26.662 25.844 12.477 1.00 33.20 ATOM 286 CB GLU 19 -25.682 27.562 13.294 1.00 45.43 ATOM 287 HB1 GLU 19 -26.647 28.003 13.509 1.00 37.53 ATOM 288 HB2 GLU 19 -25.011 28.337 12.943 1.00 4.00 ATOM 289 CG GLU 19 -25.108 26.997 14.582 1.00 71.50 ATOM 290 HG1 GLU 19 -24.050 26.829 14.444 1.00 37.53 ATOM 291 HG2 GLU 19 -25.594 26.056 14.806 1.00 70.44 ATOM 292 CD GLU 19 -25.299 27.927 15.764 1.00 40.22 ATOM 293 OE1 GLU 19 -26.123 27.606 16.646 1.00 43.24 ATOM 294 OE2 GLU 19 -24.624 28.977 15.806 1.00 3.05 ATOM 295 C GLU 19 -26.244 27.201 10.883 1.00 64.53 ATOM 296 O GLU 19 -26.488 28.406 10.848 1.00 2.12 ATOM 297 N ALA 20 -26.289 26.422 9.807 1.00 43.05 ATOM 298 HN ALA 20 -26.077 25.462 9.896 1.00 37.53 ATOM 299 CA ALA 20 -26.638 26.952 8.494 1.00 3.13 ATOM 300 HA ALA 20 -27.542 27.542 8.594 1.00 42.44 ATOM 301 CB ALA 20 -25.534 27.866 7.984 1.00 64.14 ATOM 302 HB1 ALA 20 -25.819 28.283 7.028 1.00 65.43 ATOM 303 HB2 ALA 20 -24.619 27.302 7.872 1.00 41.32 ATOM 304 HB3 ALA 20 -25.375 28.668 8.688 1.00 63.10 ATOM 305 C ALA 20 -26.898 25.826 7.499 1.00 10.51 ATOM 306 O ALA 20 -26.438 24.701 7.685 1.00 25.05 ATOM 307 N GLY 21 -27.641 26.138 6.441 1.00 45.01 ATOM 308 HN GLY 21 -27.994 27.053 6.341 1.00 37.53 ATOM 309 CA GLY 21 -27.950 25.141 5.432 1.00 1.44 ATOM 310 HA1 GLY 21 -28.982 24.846 5.546 1.00 37.53 ATOM 311 HA2 GLY 21 -27.325 24.265 5.557 1.00 51.33 ATOM 312 C GLY 21 -27.753 25.663 4.023 1.00 73.33 ATOM 313 O GLY 21 -28.715 25.815 3.270 1.00 34.20 ATOM 314 N SER 22 -26.503 25.939 3.664 1.00 35.14 ATOM 315 HN SER 22 -25.775 25.795 4.307 1.00 37.53 ATOM 316 CA SER 22 -26.184 26.452 2.337 1.00 34.22 ATOM 317 HA SER 22 -27.095 26.781 1.851 1.00 34.35 ATOM 318 CB SER 22 -25.240 27.651 2.444 1.00 31.30 ATOM 319 HB1 SER 22 -25.266 28.210 1.520 1.00 37.53 ATOM 320 HB2 SER 22 -24.229 27.310 2.630 1.00 33.42 ATOM 321 OG SER 22 -25.621 28.507 3.507 1.00 31.21 ATOM 322 HG SER 22 -26.346 29.070 3.225 1.00 53.25 ATOM 323 C SER 22 -25.550 25.366 1.473 1.00 31.12 ATOM 324 O SER 22 -25.311 24.250 1.936 1.00 40.34 ATOM 325 N ARG 23 -25.280 25.701 0.216 1.00 54.31 ATOM 326 HN ARG 23 -25.489 26.614 -0.096 1.00 37.53 ATOM 327 CA ARG 23 -24.675 24.756 -0.714 1.00 73.41 ATOM 328 HA ARG 23 -25.203 23.818 -0.622 1.00 63.22 ATOM 329 CB ARG 23 -24.804 25.267 -2.150 1.00 63.23 ATOM 330 HB1 ARG 23 -24.069 26.044 -2.319 1.00 37.53 ATOM 331 HB2 ARG 23 -25.788 25.700 -2.280 1.00 54.34 ATOM 332 CG ARG 23 -24.598 24.188 -3.201 1.00 41.33 ATOM 333 HG1 ARG 23 -23.807 23.518 -2.888 1.00 37.53 ATOM 334 HG2 ARG 23 -24.315 24.663 -4.129 1.00 33.22 ATOM 335 CD ARG 23 -25.870 23.389 -3.436 1.00 31.34 ATOM 336 HD1 ARG 23 -25.828 22.968 -4.430 1.00 37.53 ATOM 337 HD2 ARG 23 -26.726 24.050 -3.368 1.00 24.22 ATOM 338 NE ARG 23 -26.017 22.300 -2.473 1.00 54.22 ATOM 339 HE ARG 23 -25.239 22.070 -1.913 1.00 70.32 ATOM 340 CZ ARG 23 -27.136 21.600 -2.321 1.00 60.02 ATOM 341 NH1 ARG 23 -28.199 21.873 -3.065 1.00 71.10 ATOM 342 HH11 ARG 23 -28.186 22.598 -3.750 1.00 30.04 ATOM 343 HH12 ARG 23 -29.039 21.340 -2.940 1.00 42.35 ATOM 344 NH2 ARG 23 -27.192 20.624 -1.424 1.00 15.00 ATOM 345 HH21 ARG 23 -26.392 20.412 -0.859 1.00 10.24 ATOM 346 HH22 ARG 23 -28.035 20.095 -1.307 1.00 64.23 ATOM 347 C ARG 23 -23.206 24.524 -0.375 1.00 3.12 ATOM 348 O ARG 23 -22.749 23.384 -0.296 1.00 64.31 ATOM 349 N ASP 24 -22.471 25.613 -0.175 1.00 54.14 ATOM 350 HN ASP 24 -22.897 26.497 -0.264 1.00 37.53 ATOM 351 CA ASP 24 -21.054 25.529 0.156 1.00 42.20 ATOM 352 HA ASP 24 -20.586 24.826 -0.522 1.00 21.32 ATOM 353 CB ASP 24 -20.386 26.894 -0.020 1.00 25.34 ATOM 354 HB1 ASP 24 -20.443 27.179 -1.061 1.00 37.53 ATOM 355 HB2 ASP 24 -19.346 26.829 0.271 1.00 33.21 ATOM 356 CG ASP 24 -21.051 27.975 0.809 1.00 2.01 ATOM 357 OD1 ASP 24 -20.803 28.023 2.032 1.00 22.54 ATOM 358 OD2 ASP 24 -21.819 28.774 0.234 1.00 3.32 ATOM 359 C ASP 24 -20.858 25.033 1.585 1.00 12.33 ATOM 360 O ASP 24 -19.849 24.404 1.901 1.00 50.11 ATOM 361 N GLU 25 -21.830 25.322 2.445 1.00 53.41 ATOM 362 HN GLU 25 -22.607 25.848 2.145 1.00 37.53 ATOM 363 CA GLU 25 -21.763 24.907 3.841 1.00 0.10 ATOM 364 HA GLU 25 -20.878 25.352 4.280 1.00 40.11 ATOM 365 CB GLU 25 -23.003 25.386 4.599 1.00 2.11 ATOM 366 HB1 GLU 25 -23.255 24.685 5.387 1.00 37.53 ATOM 367 HB2 GLU 25 -23.829 25.422 3.906 1.00 73.44 ATOM 368 CG GLU 25 -22.848 26.771 5.205 1.00 34.23 ATOM 369 HG1 GLU 25 -23.828 27.217 5.293 1.00 37.53 ATOM 370 HG2 GLU 25 -22.236 27.386 4.557 1.00 25.32 ATOM 371 CD GLU 25 -22.214 26.737 6.582 1.00 44.40 ATOM 372 OE1 GLU 25 -22.068 27.817 7.194 1.00 73.52 ATOM 373 OE2 GLU 25 -21.862 25.633 7.047 1.00 11.33 ATOM 374 C GLU 25 -21.640 23.390 3.952 1.00 10.10 ATOM 375 O GLU 25 -20.826 22.877 4.720 1.00 44.33 ATOM 376 N ARG 26 -22.455 22.678 3.180 1.00 11.35 ATOM 377 HN ARG 26 -23.096 23.144 2.591 1.00 37.53 ATOM 378 CA ARG 26 -22.440 21.221 3.193 1.00 65.51 ATOM 379 HA ARG 26 -22.740 20.890 4.174 1.00 63.43 ATOM 380 CB ARG 26 -23.416 20.670 2.152 1.00 70.01 ATOM 381 HB1 ARG 26 -23.108 19.674 1.850 1.00 37.53 ATOM 382 HB2 ARG 26 -23.396 21.312 1.281 1.00 31.31 ATOM 383 CG ARG 26 -24.852 20.596 2.644 1.00 73.35 ATOM 384 HG1 ARG 26 -25.503 20.501 1.788 1.00 37.53 ATOM 385 HG2 ARG 26 -25.095 21.506 3.178 1.00 32.45 ATOM 386 CD ARG 26 -25.066 19.402 3.561 1.00 11.00 ATOM 387 HD1 ARG 26 -24.166 19.220 4.123 1.00 37.53 ATOM 388 HD2 ARG 26 -25.278 18.531 2.958 1.00 63.43 ATOM 389 NE ARG 26 -26.161 19.624 4.502 1.00 62.01 ATOM 390 HE ARG 26 -25.921 19.831 5.432 1.00 35.53 ATOM 391 CZ ARG 26 -27.444 19.561 4.165 1.00 71.35 ATOM 392 NH1 ARG 26 -27.792 19.283 2.916 1.00 43.15 ATOM 393 HH11 ARG 26 -27.115 19.115 2.207 1.00 45.33 ATOM 394 HH12 ARG 26 -28.764 19.239 2.674 1.00 23.13 ATOM 395 NH2 ARG 26 -28.383 19.775 5.078 1.00 63.24 ATOM 396 HH21 ARG 26 -28.127 19.985 6.024 1.00 5.13 ATOM 397 HH22 ARG 26 -29.352 19.728 4.826 1.00 40.22 ATOM 398 C ARG 26 -21.035 20.689 2.920 1.00 53.53 ATOM 399 O ARG 26 -20.629 19.667 3.473 1.00 50.41 ATOM 400 N ARG 27 -20.300 21.390 2.063 1.00 5.21 ATOM 401 HN ARG 27 -20.674 22.204 1.654 1.00 37.53 ATOM 402 CA ARG 27 -18.942 20.988 1.715 1.00 1.52 ATOM 403 HA ARG 27 -18.946 19.934 1.473 1.00 22.54 ATOM 404 CB ARG 27 -18.450 21.777 0.500 1.00 24.41 ATOM 405 HB1 ARG 27 -17.502 21.390 0.214 1.00 37.53 ATOM 406 HB2 ARG 27 -18.343 22.819 0.764 1.00 12.31 ATOM 407 CG ARG 27 -19.375 21.683 -0.702 1.00 64.23 ATOM 408 HG1 ARG 27 -18.937 22.233 -1.522 1.00 37.53 ATOM 409 HG2 ARG 27 -20.331 22.113 -0.450 1.00 22.52 ATOM 410 CD ARG 27 -19.582 20.240 -1.134 1.00 75.40 ATOM 411 HD1 ARG 27 -20.067 19.705 -0.330 1.00 37.53 ATOM 412 HD2 ARG 27 -18.621 19.789 -1.340 1.00 53.10 ATOM 413 NE ARG 27 -20.415 20.140 -2.330 1.00 1.51 ATOM 414 HE ARG 27 -20.608 20.969 -2.828 1.00 52.05 ATOM 415 CZ ARG 27 -20.919 18.998 -2.782 1.00 33.45 ATOM 416 NH1 ARG 27 -20.677 17.863 -2.140 1.00 34.12 ATOM 417 HH11 ARG 27 -20.117 17.839 -1.315 1.00 24.05 ATOM 418 HH12 ARG 27 -21.064 17.006 -2.488 1.00 75.23 ATOM 419 NH2 ARG 27 -21.668 18.988 -3.877 1.00 41.41 ATOM 420 HH21 ARG 27 -21.856 19.842 -4.367 1.00 64.13 ATOM 421 HH22 ARG 27 -22.049 18.127 -4.220 1.00 41.02 ATOM 422 C ARG 27 -17.994 21.202 2.891 1.00 24.45 ATOM 423 O ARG 27 -16.972 20.525 3.009 1.00 54.03 ATOM 424 N ALA 28 -18.339 22.147 3.760 1.00 61.25 ATOM 425 HN ALA 28 -19.145 22.677 3.607 1.00 37.53 ATOM 426 CA ALA 28 -17.520 22.448 4.927 1.00 43.11 ATOM 427 HA ALA 28 -16.480 22.473 4.621 1.00 1.30 ATOM 428 CB ALA 28 -17.873 23.821 5.479 1.00 3.22 ATOM 429 HB1 ALA 28 -17.177 24.085 6.262 1.00 73.23 ATOM 430 HB2 ALA 28 -18.877 23.816 5.877 1.00 43.52 ATOM 431 HB3 ALA 28 -17.809 24.547 4.685 1.00 45.12 ATOM 432 C ALA 28 -17.688 21.383 6.005 1.00 22.02 ATOM 433 O ALA 28 -16.726 20.714 6.387 1.00 13.41 ATOM 434 N LEU 29 -18.914 21.230 6.493 1.00 2.11 ATOM 435 HN LEU 29 -19.630 21.818 6.163 1.00 37.53 ATOM 436 CA LEU 29 -19.208 20.246 7.529 1.00 61.21 ATOM 437 HA LEU 29 -18.617 20.490 8.401 1.00 15.20 ATOM 438 CB LEU 29 -20.689 20.300 7.906 1.00 54.30 ATOM 439 HB1 LEU 29 -20.821 21.174 8.530 1.00 37.53 ATOM 440 HB2 LEU 29 -20.918 19.432 8.518 1.00 72.12 ATOM 441 CG LEU 29 -21.676 20.376 6.740 1.00 33.35 ATOM 442 HG LEU 29 -21.149 20.415 5.798 1.00 71.41 ATOM 443 CD1 LEU 29 -22.552 19.133 6.701 1.00 20.02 ATOM 444 HD11 LEU 29 -21.933 18.258 6.563 1.00 43.11 ATOM 445 HD12 LEU 29 -23.248 19.206 5.886 1.00 72.53 ATOM 446 HD13 LEU 29 -23.098 19.042 7.630 1.00 23.22 ATOM 447 CD2 LEU 29 -22.532 21.630 6.846 1.00 25.12 ATOM 448 HD21 LEU 29 -23.110 21.597 7.760 1.00 24.22 ATOM 449 HD22 LEU 29 -23.204 21.692 6.005 1.00 34.30 ATOM 450 HD23 LEU 29 -21.897 22.504 6.861 1.00 34.01 ATOM 451 C LEU 29 -18.841 18.840 7.064 1.00 11.11 ATOM 452 O LEU 29 -18.512 17.974 7.874 1.00 33.01 ATOM 453 N ALA 30 -18.898 18.622 5.754 1.00 21.24 ATOM 454 HN ALA 30 -19.204 19.336 5.150 1.00 37.53 ATOM 455 CA ALA 30 -18.568 17.323 5.181 1.00 24.14 ATOM 456 HA ALA 30 -19.174 16.571 5.672 1.00 1.45 ATOM 457 CB ALA 30 -18.906 17.299 3.698 1.00 5.11 ATOM 458 HB1 ALA 30 -18.537 16.385 3.249 1.00 45.24 ATOM 459 HB2 ALA 30 -18.453 18.149 3.210 1.00 63.42 ATOM 460 HB3 ALA 30 -19.977 17.344 3.577 1.00 0.33 ATOM 461 C ALA 30 -17.096 16.986 5.396 1.00 2.41 ATOM 462 O ALA 30 -16.738 15.826 5.598 1.00 41.40 ATOM 463 N MET 31 -16.247 18.008 5.350 1.00 12.23 ATOM 464 HN MET 31 -16.582 18.919 5.182 1.00 37.53 ATOM 465 CA MET 31 -14.814 17.820 5.540 1.00 23.45 ATOM 466 HA MET 31 -14.566 16.784 5.357 1.00 34.32 ATOM 467 CB MET 31 -14.028 18.700 4.567 1.00 52.41 ATOM 468 HB1 MET 31 -12.972 18.653 4.809 1.00 37.53 ATOM 469 HB2 MET 31 -14.365 19.720 4.676 1.00 1.55 ATOM 470 CG MET 31 -14.201 18.300 3.111 1.00 43.13 ATOM 471 HG1 MET 31 -13.683 19.013 2.498 1.00 37.53 ATOM 472 HG2 MET 31 -15.251 18.303 2.862 1.00 34.32 ATOM 473 SD MET 31 -13.519 16.670 2.753 1.00 64.20 ATOM 474 CE MET 31 -11.769 17.045 2.671 1.00 12.15 ATOM 475 HE1 MET 31 -11.241 16.214 2.232 1.00 73.44 ATOM 476 HE2 MET 31 -11.401 17.220 3.664 1.00 41.12 ATOM 477 HE3 MET 31 -11.623 17.926 2.070 1.00 10.23 ATOM 478 C MET 31 -14.409 18.141 6.976 1.00 43.25 ATOM 479 O MET 31 -13.264 17.922 7.373 1.00 73.43 ATOM 480 N LYS 32 -15.354 18.663 7.750 1.00 53.05 ATOM 481 HN LYS 32 -16.240 18.843 7.396 1.00 37.53 ATOM 482 CA LYS 32 -15.097 19.014 9.141 1.00 11.31 ATOM 483 HA LYS 32 -16.021 19.373 9.568 1.00 44.24 ATOM 484 CB LYS 32 -14.633 17.783 9.922 1.00 21.11 ATOM 485 HB1 LYS 32 -14.656 18.019 10.976 1.00 37.53 ATOM 486 HB2 LYS 32 -13.616 17.537 9.645 1.00 24.21 ATOM 487 CG LYS 32 -15.501 16.557 9.696 1.00 23.25 ATOM 488 HG1 LYS 32 -15.565 16.355 8.636 1.00 37.53 ATOM 489 HG2 LYS 32 -16.489 16.754 10.085 1.00 52.44 ATOM 490 CD LYS 32 -14.934 15.335 10.400 1.00 0.35 ATOM 491 HD1 LYS 32 -15.202 15.381 11.446 1.00 37.53 ATOM 492 HD2 LYS 32 -13.855 15.326 10.303 1.00 62.33 ATOM 493 CE LYS 32 -15.479 14.046 9.805 1.00 3.11 ATOM 494 HE1 LYS 32 -14.892 13.791 8.936 1.00 37.53 ATOM 495 HE2 LYS 32 -16.512 14.189 9.512 1.00 61.13 ATOM 496 NZ LYS 32 -15.418 12.918 10.775 1.00 20.03 ATOM 497 HZ1 LYS 32 -15.982 13.138 11.623 1.00 60.54 ATOM 498 HZ2 LYS 32 -14.433 12.741 11.063 1.00 21.13 ATOM 499 HZ3 LYS 32 -15.797 12.054 10.338 1.00 51.03 ATOM 500 C LYS 32 -14.047 20.117 9.239 1.00 74.22 ATOM 501 O LYS 32 -12.976 19.917 9.811 1.00 65.20 ATOM 502 N ILE 33 -14.363 21.279 8.679 1.00 53.53 ATOM 503 HN ILE 33 -15.242 21.383 8.243 1.00 37.53 ATOM 504 CA ILE 33 -13.448 22.414 8.706 1.00 60.53 ATOM 505 HA ILE 33 -12.457 22.023 8.547 1.00 51.42 ATOM 506 CB ILE 33 -13.759 23.415 7.578 1.00 52.21 ATOM 507 HB ILE 33 -14.752 23.813 7.736 1.00 30.52 ATOM 508 CG1 ILE 33 -13.718 22.715 6.218 1.00 24.32 ATOM 509 HG11 ILE 33 -14.001 23.421 5.450 1.00 37.53 ATOM 510 HG12 ILE 33 -14.418 21.892 6.211 1.00 42.14 ATOM 511 CG2 ILE 33 -12.775 24.575 7.613 1.00 62.32 ATOM 512 HG21 ILE 33 -11.770 24.221 7.470 1.00 33.14 ATOM 513 HG22 ILE 33 -12.840 25.078 8.547 1.00 30.42 ATOM 514 HG23 ILE 33 -13.018 25.273 6.824 1.00 22.30 ATOM 515 CD1 ILE 33 -12.353 22.169 5.861 1.00 2.11 ATOM 516 HD11 ILE 33 -12.018 21.477 6.615 1.00 4.01 ATOM 517 HD12 ILE 33 -11.643 22.975 5.767 1.00 1.31 ATOM 518 HD13 ILE 33 -12.420 21.651 4.916 1.00 22.13 ATOM 519 C ILE 33 -13.510 23.139 10.046 1.00 74.52 ATOM 520 O ILE 33 -14.584 23.437 10.569 1.00 72.20 ATOM 521 N PRO 34 -12.332 23.431 10.616 1.00 41.35 ATOM 522 CA PRO 34 -12.225 24.127 11.901 1.00 14.52 ATOM 523 HA PRO 34 -12.803 23.633 12.669 1.00 44.20 ATOM 524 CB PRO 34 -10.735 24.028 12.236 1.00 32.22 ATOM 525 HB1 PRO 34 -10.567 23.161 12.856 1.00 37.53 ATOM 526 HB2 PRO 34 -10.396 24.915 12.759 1.00 51.12 ATOM 527 CG PRO 34 -10.059 23.879 10.917 1.00 55.22 ATOM 528 HG1 PRO 34 -9.138 23.329 11.038 1.00 37.53 ATOM 529 HG2 PRO 34 -9.864 24.838 10.501 1.00 5.02 ATOM 530 CD PRO 34 -11.013 23.106 10.048 1.00 24.32 ATOM 531 HD1 PRO 34 -10.813 22.047 10.124 1.00 37.53 ATOM 532 HD2 PRO 34 -10.918 23.429 9.036 1.00 44.34 ATOM 533 C PRO 34 -12.654 25.588 11.807 1.00 63.12 ATOM 534 O PRO 34 -13.324 26.108 12.699 1.00 21.43 ATOM 535 N PHE 35 -12.263 26.245 10.720 1.00 50.21 ATOM 536 HN PHE 35 -11.768 25.770 10.035 1.00 37.53 ATOM 537 CA PHE 35 -12.606 27.647 10.509 1.00 34.24 ATOM 538 HA PHE 35 -12.827 28.088 11.473 1.00 55.04 ATOM 539 CB PHE 35 -11.421 28.398 9.900 1.00 0.31 ATOM 540 HB1 PHE 35 -10.650 28.491 10.654 1.00 37.53 ATOM 541 HB2 PHE 35 -11.728 29.391 9.601 1.00 3.11 ATOM 542 CG PHE 35 -10.827 27.712 8.703 1.00 33.02 ATOM 543 CD1 PHE 35 -9.755 26.846 8.846 1.00 42.55 ATOM 544 HD1 PHE 35 -9.338 26.673 9.826 1.00 64.21 ATOM 545 CD2 PHE 35 -11.342 27.933 7.436 1.00 65.14 ATOM 546 HD2 PHE 35 -12.178 28.605 7.309 1.00 32.03 ATOM 547 CE1 PHE 35 -9.206 26.213 7.746 1.00 13.02 ATOM 548 HE1 PHE 35 -8.375 25.544 7.879 1.00 10.35 ATOM 549 CE2 PHE 35 -10.798 27.302 6.333 1.00 65.01 ATOM 550 HE2 PHE 35 -11.204 27.481 5.353 1.00 21.12 ATOM 551 CZ PHE 35 -9.728 26.442 6.488 1.00 1.01 ATOM 552 HZ PHE 35 -9.301 25.952 5.632 1.00 34.31 ATOM 553 C PHE 35 -13.826 27.777 9.602 1.00 14.53 ATOM 554 O PHE 35 -14.137 26.892 8.806 1.00 71.43 ATOM 555 N PRO 36 -14.536 28.909 9.725 1.00 1.12 ATOM 556 CA PRO 36 -15.733 29.184 8.925 1.00 32.42 ATOM 557 HA PRO 36 -16.453 28.380 9.004 1.00 71.34 ATOM 558 CB PRO 36 -16.307 30.449 9.568 1.00 44.13 ATOM 559 HB1 PRO 36 -17.045 30.174 10.307 1.00 37.53 ATOM 560 HB2 PRO 36 -16.761 31.079 8.822 1.00 15.02 ATOM 561 CG PRO 36 -15.135 31.115 10.203 1.00 14.32 ATOM 562 HG1 PRO 36 -15.458 31.702 11.049 1.00 37.53 ATOM 563 HG2 PRO 36 -14.641 31.734 9.485 1.00 5.54 ATOM 564 CD PRO 36 -14.224 30.008 10.654 1.00 4.03 ATOM 565 HD1 PRO 36 -14.450 29.727 11.673 1.00 37.53 ATOM 566 HD2 PRO 36 -13.202 30.324 10.571 1.00 35.14 ATOM 567 C PRO 36 -15.405 29.433 7.457 1.00 1.32 ATOM 568 O PRO 36 -14.293 29.839 7.119 1.00 44.41 ATOM 569 N THR 37 -16.380 29.188 6.587 1.00 10.34 ATOM 570 HN THR 37 -17.261 28.899 6.924 1.00 37.53 ATOM 571 CA THR 37 -16.194 29.386 5.155 1.00 33.14 ATOM 572 HA THR 37 -15.259 28.942 4.875 1.00 45.02 ATOM 573 CB THR 37 -17.311 28.701 4.344 1.00 3.34 ATOM 574 HB THR 37 -17.041 28.721 3.300 1.00 23.45 ATOM 575 OG1 THR 37 -18.546 29.404 4.521 1.00 21.22 ATOM 576 HG1 THR 37 -18.637 30.077 3.842 1.00 72.23 ATOM 577 CG2 THR 37 -17.480 27.252 4.773 1.00 20.33 ATOM 578 HG21 THR 37 -18.186 26.767 4.116 1.00 0.50 ATOM 579 HG22 THR 37 -17.851 27.211 5.785 1.00 54.22 ATOM 580 HG23 THR 37 -16.530 26.739 4.716 1.00 74.31 ATOM 581 C THR 37 -16.163 30.869 4.805 1.00 54.05 ATOM 582 O THR 37 -15.382 31.300 3.956 1.00 72.30 ATOM 583 N ASP 38 -17.017 31.646 5.463 1.00 62.34 ATOM 584 HN ASP 38 -17.641 31.240 6.110 1.00 37.53 ATOM 585 CA ASP 38 -17.086 33.082 5.221 1.00 2.21 ATOM 586 HA ASP 38 -17.411 33.234 4.201 1.00 13.12 ATOM 587 CB ASP 38 -18.099 33.732 6.165 1.00 73.52 ATOM 588 HB1 ASP 38 -19.079 33.324 5.962 1.00 37.53 ATOM 589 HB2 ASP 38 -18.120 34.800 5.994 1.00 15.12 ATOM 590 CG ASP 38 -17.772 33.485 7.624 1.00 31.54 ATOM 591 OD1 ASP 38 -16.888 34.185 8.162 1.00 54.15 ATOM 592 OD2 ASP 38 -18.400 32.591 8.230 1.00 54.41 ATOM 593 C ASP 38 -15.716 33.730 5.402 1.00 75.03 ATOM 594 O ASP 38 -15.382 34.701 4.722 1.00 31.31 ATOM 595 N LYS 39 -14.928 33.187 6.323 1.00 43.21 ATOM 596 HN LYS 39 -15.252 32.426 6.858 1.00 37.53 ATOM 597 CA LYS 39 -13.594 33.711 6.594 1.00 32.10 ATOM 598 HA LYS 39 -13.668 34.777 6.735 1.00 63.02 ATOM 599 CB LYS 39 -13.032 33.093 7.876 1.00 32.13 ATOM 600 HB1 LYS 39 -13.060 32.017 7.790 1.00 37.53 ATOM 601 HB2 LYS 39 -13.662 33.400 8.699 1.00 73.11 ATOM 602 CG LYS 39 -11.605 33.516 8.180 1.00 33.45 ATOM 603 HG1 LYS 39 -11.516 34.586 8.069 1.00 37.53 ATOM 604 HG2 LYS 39 -10.952 33.024 7.479 1.00 34.21 ATOM 605 CD LYS 39 -11.189 33.104 9.583 1.00 41.43 ATOM 606 HD1 LYS 39 -10.127 32.903 9.579 1.00 37.53 ATOM 607 HD2 LYS 39 -11.719 32.208 9.882 1.00 54.30 ATOM 608 CE LYS 39 -11.471 34.206 10.593 1.00 21.44 ATOM 609 HE1 LYS 39 -12.520 34.183 10.847 1.00 37.53 ATOM 610 HE2 LYS 39 -11.227 35.168 10.160 1.00 2.34 ATOM 611 NZ LYS 39 -10.670 34.035 11.837 1.00 1.32 ATOM 612 HZ1 LYS 39 -9.652 34.059 11.618 1.00 3.40 ATOM 613 HZ2 LYS 39 -10.895 33.126 12.291 1.00 13.20 ATOM 614 HZ3 LYS 39 -10.886 34.802 12.505 1.00 12.45 ATOM 615 C LYS 39 -12.652 33.431 5.427 1.00 14.42 ATOM 616 O LYS 39 -11.674 34.150 5.222 1.00 64.10 ATOM 617 N ILE 40 -12.955 32.385 4.666 1.00 52.52 ATOM 618 HN ILE 40 -13.736 31.843 4.878 1.00 37.53 ATOM 619 CA ILE 40 -12.137 32.014 3.518 1.00 24.04 ATOM 620 HA ILE 40 -11.108 31.926 3.849 1.00 71.51 ATOM 621 CB ILE 40 -12.572 30.658 2.932 1.00 41.24 ATOM 622 HB ILE 40 -13.594 30.741 2.598 1.00 32.30 ATOM 623 CG1 ILE 40 -12.475 29.563 3.995 1.00 34.24 ATOM 624 HG11 ILE 40 -12.975 29.880 4.899 1.00 37.53 ATOM 625 HG12 ILE 40 -11.436 29.370 4.221 1.00 24.43 ATOM 626 CG2 ILE 40 -11.719 30.306 1.722 1.00 1.21 ATOM 627 HG21 ILE 40 -11.373 29.283 1.771 1.00 20.04 ATOM 628 HG22 ILE 40 -10.866 30.956 1.650 1.00 23.12 ATOM 629 HG23 ILE 40 -12.324 30.423 0.838 1.00 10.23 ATOM 630 CD1 ILE 40 -13.107 28.254 3.574 1.00 5.23 ATOM 631 HD11 ILE 40 -14.088 28.437 3.159 1.00 23.03 ATOM 632 HD12 ILE 40 -13.199 27.607 4.433 1.00 21.40 ATOM 633 HD13 ILE 40 -12.490 27.775 2.831 1.00 65.42 ATOM 634 C ILE 40 -12.208 33.075 2.425 1.00 32.14 ATOM 635 O ILE 40 -11.231 33.319 1.717 1.00 12.55 ATOM 636 N VAL 41 -13.372 33.704 2.294 1.00 2.14 ATOM 637 HN VAL 41 -14.132 33.459 2.871 1.00 37.53 ATOM 638 CA VAL 41 -13.571 34.742 1.290 1.00 70.34 ATOM 639 HA VAL 41 -12.822 34.627 0.512 1.00 62.42 ATOM 640 CB VAL 41 -14.958 34.626 0.630 1.00 32.43 ATOM 641 HB VAL 41 -15.714 34.885 1.360 1.00 71.03 ATOM 642 CG1 VAL 41 -15.077 35.592 -0.538 1.00 43.13 ATOM 643 HG11 VAL 41 -14.263 35.431 -1.232 1.00 3.24 ATOM 644 HG12 VAL 41 -15.048 36.608 -0.179 1.00 53.11 ATOM 645 HG13 VAL 41 -16.016 35.430 -1.050 1.00 0.24 ATOM 646 CG2 VAL 41 -15.215 33.196 0.179 1.00 61.14 ATOM 647 HG21 VAL 41 -14.512 32.931 -0.592 1.00 13.40 ATOM 648 HG22 VAL 41 -16.217 33.123 -0.208 1.00 40.41 ATOM 649 HG23 VAL 41 -15.113 32.516 1.012 1.00 41.21 ATOM 650 C VAL 41 -13.424 36.132 1.898 1.00 35.45 ATOM 651 O VAL 41 -13.091 37.092 1.205 1.00 30.25 ATOM 652 N ASN 42 -13.676 36.231 3.200 1.00 42.12 ATOM 653 HN ASN 42 -13.950 35.436 3.709 1.00 37.53 ATOM 654 CA ASN 42 -13.572 37.504 3.903 1.00 1.51 ATOM 655 HA ASN 42 -14.075 38.262 3.312 1.00 72.32 ATOM 656 CB ASN 42 -14.240 37.408 5.276 1.00 11.52 ATOM 657 HB1 ASN 42 -13.766 38.101 5.962 1.00 37.53 ATOM 658 HB2 ASN 42 -14.133 36.417 5.665 1.00 43.42 ATOM 659 CG ASN 42 -15.716 37.755 5.227 1.00 43.04 ATOM 660 OD1 ASN 42 -16.218 38.503 6.066 1.00 24.20 ATOM 661 ND2 ASN 42 -16.418 37.211 4.240 1.00 52.13 ATOM 662 HD21 ASN 42 -15.988 36.616 3.598 1.00 61.24 ATOM 663 HD22 ASN 42 -17.371 37.436 4.194 1.00 72.24 ATOM 664 C ASN 42 -12.113 37.920 4.063 1.00 3.02 ATOM 665 O ASN 42 -11.754 39.073 3.820 1.00 63.10 ATOM 666 N LEU 43 -11.276 36.974 4.473 1.00 25.42 ATOM 667 HN LEU 43 -11.621 36.068 4.658 1.00 37.53 ATOM 668 CA LEU 43 -9.854 37.240 4.665 1.00 12.34 ATOM 669 HA LEU 43 -9.780 38.101 5.307 1.00 10.12 ATOM 670 CB LEU 43 -9.174 36.039 5.325 1.00 74.14 ATOM 671 HB1 LEU 43 -8.121 36.041 5.070 1.00 37.53 ATOM 672 HB2 LEU 43 -9.602 35.144 4.902 1.00 12.42 ATOM 673 CG LEU 43 -9.286 35.957 6.847 1.00 31.43 ATOM 674 HG LEU 43 -10.326 36.005 7.123 1.00 34.13 ATOM 675 CD1 LEU 43 -8.719 34.640 7.354 1.00 63.42 ATOM 676 HD11 LEU 43 -7.649 34.619 7.198 1.00 43.12 ATOM 677 HD12 LEU 43 -9.169 33.817 6.819 1.00 42.44 ATOM 678 HD13 LEU 43 -8.929 34.540 8.409 1.00 51.15 ATOM 679 CD2 LEU 43 -8.573 37.132 7.499 1.00 43.42 ATOM 680 HD21 LEU 43 -7.518 37.093 7.269 1.00 73.11 ATOM 681 HD22 LEU 43 -8.703 37.077 8.571 1.00 70.40 ATOM 682 HD23 LEU 43 -8.985 38.063 7.146 1.00 33.11 ATOM 683 C LEU 43 -9.175 37.558 3.337 1.00 72.41 ATOM 684 O LEU 43 -9.668 37.215 2.262 1.00 34.11 ATOM 685 N PRO 44 -8.015 38.226 3.410 1.00 2.30 ATOM 686 CA PRO 44 -7.241 38.602 2.223 1.00 75.13 ATOM 687 HA PRO 44 -7.845 39.148 1.512 1.00 31.15 ATOM 688 CB PRO 44 -6.154 39.521 2.784 1.00 3.01 ATOM 689 HB1 PRO 44 -6.485 40.546 2.716 1.00 37.53 ATOM 690 HB2 PRO 44 -5.228 39.405 2.234 1.00 2.35 ATOM 691 CG PRO 44 -6.002 39.104 4.206 1.00 22.31 ATOM 692 HG1 PRO 44 -5.650 39.932 4.803 1.00 37.53 ATOM 693 HG2 PRO 44 -5.319 38.297 4.243 1.00 63.54 ATOM 694 CD PRO 44 -7.368 38.667 4.658 1.00 60.45 ATOM 695 HD1 PRO 44 -7.904 39.494 5.100 1.00 37.53 ATOM 696 HD2 PRO 44 -7.271 37.873 5.351 1.00 0.54 ATOM 697 C PRO 44 -6.615 37.395 1.533 1.00 72.21 ATOM 698 O PRO 44 -6.677 36.275 2.041 1.00 1.34 ATOM 699 N VAL 45 -6.012 37.629 0.372 1.00 4.40 ATOM 700 HN VAL 45 -6.001 38.548 0.014 1.00 37.53 ATOM 701 CA VAL 45 -5.372 36.561 -0.387 1.00 13.21 ATOM 702 HA VAL 45 -6.076 35.739 -0.470 1.00 54.31 ATOM 703 CB VAL 45 -5.001 37.026 -1.808 1.00 15.54 ATOM 704 HB VAL 45 -5.878 37.463 -2.263 1.00 44.10 ATOM 705 CG1 VAL 45 -3.914 38.089 -1.755 1.00 31.21 ATOM 706 HG11 VAL 45 -4.195 38.875 -1.069 1.00 2.35 ATOM 707 HG12 VAL 45 -3.790 38.513 -2.740 1.00 55.44 ATOM 708 HG13 VAL 45 -2.975 37.655 -1.439 1.00 72.45 ATOM 709 CG2 VAL 45 -4.562 35.844 -2.657 1.00 70.33 ATOM 710 HG21 VAL 45 -4.444 36.165 -3.682 1.00 0.13 ATOM 711 HG22 VAL 45 -5.308 35.067 -2.611 1.00 42.42 ATOM 712 HG23 VAL 45 -3.620 35.456 -2.295 1.00 21.15 ATOM 713 C VAL 45 -4.115 36.063 0.317 1.00 13.23 ATOM 714 O VAL 45 -3.698 34.920 0.129 1.00 5.44 ATOM 715 N ASP 46 -3.517 36.928 1.129 1.00 62.20 ATOM 716 HN ASP 46 -3.890 37.832 1.241 1.00 37.53 ATOM 717 CA ASP 46 -2.307 36.576 1.864 1.00 73.43 ATOM 718 HA ASP 46 -1.670 35.990 1.209 1.00 3.13 ATOM 719 CB ASP 46 -1.563 37.839 2.298 1.00 44.01 ATOM 720 HB1 ASP 46 -1.228 37.741 3.324 1.00 37.53 ATOM 721 HB2 ASP 46 -2.219 38.695 2.231 1.00 64.32 ATOM 722 CG ASP 46 -0.342 38.115 1.442 1.00 30.31 ATOM 723 OD1 ASP 46 -0.455 38.912 0.488 1.00 42.01 ATOM 724 OD2 ASP 46 0.726 37.532 1.726 1.00 51.41 ATOM 725 C ASP 46 -2.641 35.723 3.083 1.00 34.54 ATOM 726 O ASP 46 -2.205 34.576 3.190 1.00 54.13 ATOM 727 N ASP 47 -3.416 36.290 4.001 1.00 31.23 ATOM 728 HN ASP 47 -3.722 37.211 3.860 1.00 37.53 ATOM 729 CA ASP 47 -3.809 35.582 5.214 1.00 22.41 ATOM 730 HA ASP 47 -2.921 35.428 5.812 1.00 63.12 ATOM 731 CB ASP 47 -4.812 36.414 6.014 1.00 32.20 ATOM 732 HB1 ASP 47 -5.132 35.850 6.881 1.00 37.53 ATOM 733 HB2 ASP 47 -5.665 36.621 5.399 1.00 44.15 ATOM 734 CG ASP 47 -4.222 37.723 6.499 1.00 3.15 ATOM 735 OD1 ASP 47 -4.964 38.517 7.114 1.00 12.42 ATOM 736 OD2 ASP 47 -3.017 37.953 6.265 1.00 10.04 ATOM 737 C ASP 47 -4.411 34.221 4.878 1.00 72.02 ATOM 738 O ASP 47 -4.180 33.237 5.581 1.00 41.11 ATOM 739 N PHE 48 -5.186 34.173 3.799 1.00 21.21 ATOM 740 HN PHE 48 -5.350 34.995 3.280 1.00 37.53 ATOM 741 CA PHE 48 -5.824 32.933 3.371 1.00 44.44 ATOM 742 HA PHE 48 -6.465 32.590 4.172 1.00 11.52 ATOM 743 CB PHE 48 -6.679 33.179 2.126 1.00 61.01 ATOM 744 HB1 PHE 48 -6.082 33.703 1.390 1.00 37.53 ATOM 745 HB2 PHE 48 -7.523 33.797 2.400 1.00 41.13 ATOM 746 CG PHE 48 -7.215 31.919 1.509 1.00 73.10 ATOM 747 CD1 PHE 48 -6.886 31.574 0.208 1.00 23.23 ATOM 748 HD1 PHE 48 -6.235 32.218 -0.367 1.00 54.33 ATOM 749 CD2 PHE 48 -8.050 31.080 2.230 1.00 63.22 ATOM 750 HD2 PHE 48 -8.316 31.335 3.247 1.00 60.34 ATOM 751 CE1 PHE 48 -7.377 30.415 -0.362 1.00 73.23 ATOM 752 HE1 PHE 48 -7.113 30.158 -1.377 1.00 42.35 ATOM 753 CE2 PHE 48 -8.544 29.919 1.665 1.00 41.43 ATOM 754 HE2 PHE 48 -9.197 29.293 2.236 1.00 63.03 ATOM 755 CZ PHE 48 -8.208 29.587 0.367 1.00 53.13 ATOM 756 HZ PHE 48 -8.592 28.683 -0.073 1.00 21.12 ATOM 757 C PHE 48 -4.781 31.857 3.081 1.00 13.30 ATOM 758 O PHE 48 -4.864 30.744 3.597 1.00 25.33 ATOM 759 N ASN 49 -3.801 32.199 2.251 1.00 54.23 ATOM 760 HN ASN 49 -3.791 33.108 1.865 1.00 37.53 ATOM 761 CA ASN 49 -2.743 31.263 1.891 1.00 61.33 ATOM 762 HA ASN 49 -3.190 30.457 1.324 1.00 1.04 ATOM 763 CB ASN 49 -1.684 31.962 1.036 1.00 22.20 ATOM 764 HB1 ASN 49 -0.778 31.366 1.017 1.00 37.53 ATOM 765 HB2 ASN 49 -1.461 32.927 1.470 1.00 3.05 ATOM 766 CG ASN 49 -2.138 32.163 -0.397 1.00 23.11 ATOM 767 OD1 ASN 49 -2.833 31.319 -0.964 1.00 3.52 ATOM 768 ND2 ASN 49 -1.745 33.284 -0.990 1.00 13.52 ATOM 769 HD21 ASN 49 -1.189 33.923 -0.488 1.00 24.21 ATOM 770 HD22 ASN 49 -2.028 33.433 -1.916 1.00 50.20 ATOM 771 C ASN 49 -2.095 30.668 3.138 1.00 51.43 ATOM 772 O ASN 49 -1.667 29.515 3.136 1.00 31.22 ATOM 773 N GLU 50 -2.028 31.465 4.200 1.00 62.01 ATOM 774 HN GLU 50 -2.363 32.389 4.145 1.00 37.53 ATOM 775 CA GLU 50 -1.432 31.017 5.453 1.00 10.12 ATOM 776 HA GLU 50 -0.616 30.338 5.226 1.00 41.04 ATOM 777 CB GLU 50 -0.882 32.210 6.237 1.00 13.54 ATOM 778 HB1 GLU 50 -0.843 31.968 7.295 1.00 37.53 ATOM 779 HB2 GLU 50 -1.549 33.051 6.104 1.00 42.31 ATOM 780 CG GLU 50 0.506 32.642 5.795 1.00 31.02 ATOM 781 HG1 GLU 50 0.658 33.666 6.102 1.00 37.53 ATOM 782 HG2 GLU 50 0.576 32.582 4.717 1.00 34.40 ATOM 783 CD GLU 50 1.603 31.792 6.405 1.00 21.52 ATOM 784 OE1 GLU 50 2.466 31.304 5.646 1.00 62.35 ATOM 785 OE2 GLU 50 1.599 31.614 7.641 1.00 31.50 ATOM 786 C GLU 50 -2.452 30.263 6.302 1.00 51.33 ATOM 787 O GLU 50 -2.091 29.420 7.123 1.00 20.52 ATOM 788 N LEU 51 -3.727 30.574 6.098 1.00 74.15 ATOM 789 HN LEU 51 -3.957 31.286 5.472 1.00 37.53 ATOM 790 CA LEU 51 -4.801 29.927 6.843 1.00 33.05 ATOM 791 HA LEU 51 -4.624 30.094 7.892 1.00 24.03 ATOM 792 CB LEU 51 -6.151 30.545 6.473 1.00 64.13 ATOM 793 HB1 LEU 51 -6.337 30.337 5.428 1.00 37.53 ATOM 794 HB2 LEU 51 -6.072 31.618 6.591 1.00 24.35 ATOM 795 CG LEU 51 -7.356 30.056 7.277 1.00 51.54 ATOM 796 HG LEU 51 -7.385 28.977 7.260 1.00 22.51 ATOM 797 CD1 LEU 51 -7.244 30.497 8.728 1.00 63.41 ATOM 798 HD11 LEU 51 -8.108 30.152 9.280 1.00 54.43 ATOM 799 HD12 LEU 51 -7.194 31.576 8.780 1.00 54.25 ATOM 800 HD13 LEU 51 -6.353 30.075 9.168 1.00 1.12 ATOM 801 CD2 LEU 51 -8.650 30.568 6.661 1.00 73.11 ATOM 802 HD21 LEU 51 -8.726 30.222 5.639 1.00 71.32 ATOM 803 HD22 LEU 51 -8.659 31.649 6.675 1.00 13.34 ATOM 804 HD23 LEU 51 -9.493 30.195 7.226 1.00 73.12 ATOM 805 C LEU 51 -4.825 28.426 6.573 1.00 41.03 ATOM 806 O LEU 51 -5.213 27.635 7.433 1.00 14.14 ATOM 807 N LEU 52 -4.405 28.040 5.373 1.00 51.00 ATOM 808 HN LEU 52 -4.120 28.714 4.714 1.00 37.53 ATOM 809 CA LEU 52 -4.376 26.633 4.989 1.00 64.01 ATOM 810 HA LEU 52 -5.358 26.227 5.152 1.00 43.41 ATOM 811 CB LEU 52 -4.018 26.496 3.508 1.00 25.41 ATOM 812 HB1 LEU 52 -3.846 25.455 3.294 1.00 37.53 ATOM 813 HB2 LEU 52 -3.090 27.030 3.348 1.00 51.43 ATOM 814 CG LEU 52 -5.054 27.023 2.515 1.00 1.02 ATOM 815 HG LEU 52 -5.305 28.042 2.773 1.00 62.41 ATOM 816 CD1 LEU 52 -4.489 27.023 1.103 1.00 3.43 ATOM 817 HD11 LEU 52 -3.582 27.611 1.075 1.00 2.23 ATOM 818 HD12 LEU 52 -5.212 27.456 0.426 1.00 20.40 ATOM 819 HD13 LEU 52 -4.272 26.016 0.793 1.00 14.24 ATOM 820 CD2 LEU 52 -6.327 26.192 2.582 1.00 52.43 ATOM 821 HD21 LEU 52 -6.090 25.146 2.439 1.00 45.14 ATOM 822 HD22 LEU 52 -7.003 26.510 1.804 1.00 14.34 ATOM 823 HD23 LEU 52 -6.794 26.327 3.544 1.00 53.13 ATOM 824 C LEU 52 -3.375 25.857 5.840 1.00 52.12 ATOM 825 O LEU 52 -3.667 24.758 6.311 1.00 1.52 ATOM 826 N ALA 53 -2.195 26.438 6.034 1.00 75.44 ATOM 827 HN ALA 53 -2.015 27.322 5.634 1.00 37.53 ATOM 828 CA ALA 53 -1.154 25.803 6.831 1.00 23.23 ATOM 829 HA ALA 53 -1.170 24.736 6.636 1.00 51.21 ATOM 830 CB ALA 53 0.216 26.326 6.424 1.00 14.50 ATOM 831 HB1 ALA 53 0.364 26.157 5.368 1.00 72.02 ATOM 832 HB2 ALA 53 0.984 25.807 6.980 1.00 74.12 ATOM 833 HB3 ALA 53 0.277 27.386 6.628 1.00 12.14 ATOM 834 C ALA 53 -1.388 26.030 8.321 1.00 45.21 ATOM 835 O ALA 53 -0.973 25.224 9.154 1.00 74.10 ATOM 836 N ARG 54 -2.053 27.133 8.649 1.00 23.01 ATOM 837 HN ARG 54 -2.341 27.757 7.944 1.00 37.53 ATOM 838 CA ARG 54 -2.340 27.467 10.039 1.00 64.01 ATOM 839 HA ARG 54 -1.395 27.617 10.547 1.00 53.44 ATOM 840 CB ARG 54 -3.172 28.748 10.116 1.00 4.45 ATOM 841 HB1 ARG 54 -3.868 28.665 10.942 1.00 37.53 ATOM 842 HB2 ARG 54 -3.735 28.859 9.205 1.00 62.34 ATOM 843 CG ARG 54 -2.339 30.003 10.324 1.00 14.23 ATOM 844 HG1 ARG 54 -1.708 30.153 9.461 1.00 37.53 ATOM 845 HG2 ARG 54 -1.724 29.877 11.204 1.00 10.23 ATOM 846 CD ARG 54 -3.218 31.230 10.514 1.00 74.51 ATOM 847 HD1 ARG 54 -3.695 31.450 9.570 1.00 37.53 ATOM 848 HD2 ARG 54 -2.602 32.071 10.796 1.00 60.41 ATOM 849 NE ARG 54 -4.257 31.009 11.517 1.00 63.11 ATOM 850 HE ARG 54 -5.157 30.789 11.192 1.00 31.50 ATOM 851 CZ ARG 54 -4.044 31.092 12.825 1.00 10.35 ATOM 852 NH1 ARG 54 -2.837 31.390 13.287 1.00 52.34 ATOM 853 HH11 ARG 54 -2.068 31.554 12.676 1.00 12.33 ATOM 854 HH12 ARG 54 -2.690 31.453 14.276 1.00 20.35 ATOM 855 NH2 ARG 54 -5.040 30.878 13.676 1.00 61.03 ATOM 856 HH21 ARG 54 -5.955 30.653 13.334 1.00 51.42 ATOM 857 HH22 ARG 54 -4.881 30.940 14.664 1.00 21.21 ATOM 858 C ARG 54 -3.079 26.325 10.731 1.00 4.40 ATOM 859 O ARG 54 -2.796 25.998 11.884 1.00 14.40 ATOM 860 N TYR 55 -4.025 25.724 10.020 1.00 75.40 ATOM 861 HN TYR 55 -4.214 26.022 9.100 1.00 37.53 ATOM 862 CA TYR 55 -4.807 24.621 10.566 1.00 31.34 ATOM 863 HA TYR 55 -4.635 24.580 11.635 1.00 44.41 ATOM 864 CB TYR 55 -6.299 24.856 10.323 1.00 21.33 ATOM 865 HB1 TYR 55 -6.855 23.952 10.531 1.00 37.53 ATOM 866 HB2 TYR 55 -6.441 25.114 9.282 1.00 20.31 ATOM 867 CG TYR 55 -6.879 25.976 11.156 1.00 0.51 ATOM 868 CD1 TYR 55 -7.766 25.711 12.192 1.00 72.10 ATOM 869 HD1 TYR 55 -8.032 24.689 12.411 1.00 65.54 ATOM 870 CD2 TYR 55 -6.541 27.301 10.907 1.00 62.34 ATOM 871 HD2 TYR 55 -5.855 27.531 10.104 1.00 34.03 ATOM 872 CE1 TYR 55 -8.299 26.732 12.955 1.00 34.31 ATOM 873 HE1 TYR 55 -8.987 26.505 13.756 1.00 35.44 ATOM 874 CE2 TYR 55 -7.068 28.328 11.665 1.00 21.35 ATOM 875 HE2 TYR 55 -6.793 29.350 11.455 1.00 33.24 ATOM 876 CZ TYR 55 -7.947 28.038 12.688 1.00 2.23 ATOM 877 OH TYR 55 -8.475 29.058 13.446 1.00 51.53 ATOM 878 HH TYR 55 -9.131 29.541 12.933 1.00 12.15 ATOM 879 C TYR 55 -4.382 23.293 9.947 1.00 34.42 ATOM 880 O TYR 55 -3.841 23.238 8.843 1.00 61.01 ATOM 881 N PRO 56 -4.634 22.194 10.675 1.00 52.40 ATOM 882 CA PRO 56 -4.288 20.845 10.218 1.00 41.30 ATOM 883 HA PRO 56 -3.246 20.775 9.940 1.00 71.41 ATOM 884 CB PRO 56 -4.550 19.975 11.450 1.00 42.31 ATOM 885 HB1 PRO 56 -3.633 19.872 12.010 1.00 37.53 ATOM 886 HB2 PRO 56 -4.908 18.992 11.170 1.00 51.40 ATOM 887 CG PRO 56 -5.566 20.729 12.236 1.00 34.44 ATOM 888 HG1 PRO 56 -5.468 20.493 13.285 1.00 37.53 ATOM 889 HG2 PRO 56 -6.558 20.482 11.886 1.00 75.35 ATOM 890 CD PRO 56 -5.277 22.185 12.000 1.00 41.12 ATOM 891 HD1 PRO 56 -4.605 22.562 12.757 1.00 37.53 ATOM 892 HD2 PRO 56 -6.195 22.742 12.003 1.00 72.05 ATOM 893 C PRO 56 -5.155 20.389 9.049 1.00 25.24 ATOM 894 O PRO 56 -6.119 19.644 9.232 1.00 42.42 ATOM 895 N LEU 57 -4.806 20.839 7.849 1.00 24.41 ATOM 896 HN LEU 57 -4.020 21.426 7.757 1.00 37.53 ATOM 897 CA LEU 57 -5.552 20.475 6.649 1.00 1.53 ATOM 898 HA LEU 57 -6.453 19.961 6.938 1.00 20.10 ATOM 899 CB LEU 57 -5.950 21.732 5.873 1.00 62.23 ATOM 900 HB1 LEU 57 -6.572 21.440 5.039 1.00 37.53 ATOM 901 HB2 LEU 57 -5.045 22.181 5.488 1.00 54.23 ATOM 902 CG LEU 57 -6.684 22.810 6.671 1.00 43.02 ATOM 903 HG LEU 57 -6.058 23.130 7.491 1.00 61.34 ATOM 904 CD1 LEU 57 -6.967 24.022 5.796 1.00 22.43 ATOM 905 HD11 LEU 57 -7.410 24.800 6.376 1.00 64.01 ATOM 906 HD12 LEU 57 -7.630 23.739 4.999 1.00 64.33 ATOM 907 HD13 LEU 57 -6.041 24.375 5.373 1.00 23.55 ATOM 908 CD2 LEU 57 -7.976 22.256 7.252 1.00 11.05 ATOM 909 HD21 LEU 57 -8.493 23.035 7.795 1.00 2.43 ATOM 910 HD22 LEU 57 -7.754 21.444 7.929 1.00 45.52 ATOM 911 HD23 LEU 57 -8.611 21.896 6.454 1.00 33.44 ATOM 912 C LEU 57 -4.731 19.551 5.756 1.00 21.45 ATOM 913 O LEU 57 -3.531 19.755 5.568 1.00 31.43 ATOM 914 N THR 58 -5.386 18.533 5.206 1.00 22.11 ATOM 915 HN THR 58 -6.333 18.403 5.408 1.00 37.53 ATOM 916 CA THR 58 -4.718 17.577 4.332 1.00 4.10 ATOM 917 HA THR 58 -3.649 17.606 4.521 1.00 33.11 ATOM 918 CB THR 58 -5.206 16.140 4.594 1.00 64.20 ATOM 919 HB THR 58 -4.805 15.477 3.838 1.00 40.54 ATOM 920 OG1 THR 58 -6.636 16.091 4.541 1.00 63.41 ATOM 921 HG1 THR 58 -6.922 15.200 4.322 1.00 22.11 ATOM 922 CG2 THR 58 -4.726 15.644 5.950 1.00 51.21 ATOM 923 HG21 THR 58 -3.646 15.652 5.978 1.00 23.23 ATOM 924 HG22 THR 58 -5.081 14.636 6.109 1.00 61.55 ATOM 925 HG23 THR 58 -5.112 16.287 6.729 1.00 2.21 ATOM 926 C THR 58 -4.947 17.920 2.865 1.00 53.14 ATOM 927 O THR 58 -5.682 18.854 2.544 1.00 31.42 ATOM 928 N GLU 59 -4.315 17.159 1.977 1.00 25.45 ATOM 929 HN GLU 59 -3.722 16.437 2.293 1.00 37.53 ATOM 930 CA GLU 59 -4.451 17.384 0.543 1.00 31.53 ATOM 931 HA GLU 59 -4.028 18.354 0.317 1.00 43.11 ATOM 932 CB GLU 59 -3.700 16.304 -0.239 1.00 4.14 ATOM 933 HB1 GLU 59 -4.190 16.149 -1.196 1.00 37.53 ATOM 934 HB2 GLU 59 -3.730 15.377 0.318 1.00 52.43 ATOM 935 CG GLU 59 -2.244 16.648 -0.506 1.00 0.40 ATOM 936 HG1 GLU 59 -1.676 16.473 0.396 1.00 37.53 ATOM 937 HG2 GLU 59 -2.169 17.692 -0.781 1.00 64.24 ATOM 938 CD GLU 59 -1.645 15.820 -1.626 1.00 40.53 ATOM 939 OE1 GLU 59 -0.708 15.042 -1.352 1.00 21.32 ATOM 940 OE2 GLU 59 -2.112 15.951 -2.777 1.00 15.23 ATOM 941 C GLU 59 -5.920 17.395 0.132 1.00 75.02 ATOM 942 O GLU 59 -6.300 18.052 -0.837 1.00 43.34 ATOM 943 N SER 60 -6.743 16.662 0.876 1.00 41.04 ATOM 944 HN SER 60 -6.389 16.121 1.617 1.00 37.53 ATOM 945 CA SER 60 -8.170 16.584 0.586 1.00 30.44 ATOM 946 HA SER 60 -8.303 16.548 -0.489 1.00 64.23 ATOM 947 CB SER 60 -8.765 15.311 1.192 1.00 54.02 ATOM 948 HB1 SER 60 -8.965 15.455 2.246 1.00 37.53 ATOM 949 HB2 SER 60 -8.063 14.497 1.073 1.00 43.23 ATOM 950 OG SER 60 -9.972 14.953 0.541 1.00 60.34 ATOM 951 HG SER 60 -10.322 14.150 0.934 1.00 34.23 ATOM 952 C SER 60 -8.902 17.808 1.127 1.00 1.20 ATOM 953 O SER 60 -9.825 18.321 0.495 1.00 1.21 ATOM 954 N GLN 61 -8.482 18.270 2.300 1.00 12.44 ATOM 955 HN GLN 61 -7.742 17.816 2.767 1.00 37.53 ATOM 956 CA GLN 61 -9.098 19.434 2.927 1.00 50.10 ATOM 957 HA GLN 61 -10.173 19.312 2.895 1.00 42.10 ATOM 958 CB GLN 61 -8.662 19.543 4.389 1.00 32.22 ATOM 959 HB1 GLN 61 -9.101 20.439 4.814 1.00 37.53 ATOM 960 HB2 GLN 61 -7.591 19.633 4.421 1.00 3.23 ATOM 961 CG GLN 61 -9.072 18.349 5.237 1.00 52.15 ATOM 962 HG1 GLN 61 -8.287 17.620 5.210 1.00 37.53 ATOM 963 HG2 GLN 61 -9.969 17.912 4.835 1.00 12.21 ATOM 964 CD GLN 61 -9.328 18.721 6.684 1.00 50.13 ATOM 965 OE1 GLN 61 -8.398 18.824 7.484 1.00 21.11 ATOM 966 NE2 GLN 61 -10.594 18.925 7.028 1.00 52.42 ATOM 967 HE21 GLN 61 -11.298 18.829 6.347 1.00 11.42 ATOM 968 HE22 GLN 61 -10.780 19.166 7.960 1.00 54.13 ATOM 969 C GLN 61 -8.733 20.712 2.179 1.00 40.10 ATOM 970 O GLN 61 -9.608 21.478 1.773 1.00 11.25 ATOM 971 N LEU 62 -7.436 20.937 2.000 1.00 70.44 ATOM 972 HN LEU 62 -6.785 20.285 2.345 1.00 37.53 ATOM 973 CA LEU 62 -6.954 22.123 1.300 1.00 35.22 ATOM 974 HA LEU 62 -7.207 22.988 1.898 1.00 13.25 ATOM 975 CB LEU 62 -5.436 22.056 1.128 1.00 1.44 ATOM 976 HB1 LEU 62 -5.169 22.697 0.293 1.00 37.53 ATOM 977 HB2 LEU 62 -5.172 21.041 0.854 1.00 74.44 ATOM 978 CG LEU 62 -4.604 22.484 2.338 1.00 12.21 ATOM 979 HG LEU 62 -5.196 23.124 2.980 1.00 43.53 ATOM 980 CD1 LEU 62 -4.186 21.271 3.154 1.00 2.01 ATOM 981 HD11 LEU 62 -3.628 20.583 2.533 1.00 61.45 ATOM 982 HD12 LEU 62 -5.064 20.790 3.525 1.00 73.54 ATOM 983 HD13 LEU 62 -3.571 21.587 3.984 1.00 44.41 ATOM 984 CD2 LEU 62 -3.384 23.277 1.893 1.00 62.40 ATOM 985 HD21 LEU 62 -3.699 24.140 1.334 1.00 42.53 ATOM 986 HD22 LEU 62 -2.755 22.658 1.268 1.00 25.43 ATOM 987 HD23 LEU 62 -2.823 23.597 2.760 1.00 64.32 ATOM 988 C LEU 62 -7.626 22.262 -0.062 1.00 72.22 ATOM 989 O LEU 62 -8.066 23.347 -0.441 1.00 5.22 ATOM 990 N ALA 63 -7.704 21.155 -0.794 1.00 22.14 ATOM 991 HN ALA 63 -7.320 20.315 -0.445 1.00 37.53 ATOM 992 CA ALA 63 -8.326 21.152 -2.112 1.00 1.42 ATOM 993 HA ALA 63 -7.706 21.738 -2.775 1.00 22.24 ATOM 994 CB ALA 63 -8.395 19.735 -2.660 1.00 64.23 ATOM 995 HB1 ALA 63 -8.807 19.751 -3.660 1.00 10.31 ATOM 996 HB2 ALA 63 -9.021 19.128 -2.021 1.00 21.30 ATOM 997 HB3 ALA 63 -7.401 19.315 -2.689 1.00 1.21 ATOM 998 C ALA 63 -9.719 21.771 -2.063 1.00 21.33 ATOM 999 O ALA 63 -10.163 22.402 -3.022 1.00 54.15 ATOM 1000 N LEU 64 -10.404 21.585 -0.940 1.00 11.11 ATOM 1001 HN LEU 64 -10.020 21.046 -0.214 1.00 37.53 ATOM 1002 CA LEU 64 -11.748 22.125 -0.766 1.00 33.42 ATOM 1003 HA LEU 64 -12.270 22.065 -1.714 1.00 1.22 ATOM 1004 CB LEU 64 -12.520 21.301 0.266 1.00 31.53 ATOM 1005 HB1 LEU 64 -11.937 21.305 1.174 1.00 37.53 ATOM 1006 HB2 LEU 64 -12.561 20.279 -0.092 1.00 64.52 ATOM 1007 CG LEU 64 -13.937 21.779 0.583 1.00 35.11 ATOM 1008 HG LEU 64 -14.033 22.836 0.386 1.00 52.45 ATOM 1009 CD1 LEU 64 -14.951 21.064 -0.297 1.00 12.11 ATOM 1010 HD11 LEU 64 -15.204 20.097 0.118 1.00 22.22 ATOM 1011 HD12 LEU 64 -14.546 20.927 -1.293 1.00 20.03 ATOM 1012 HD13 LEU 64 -15.831 21.669 -0.367 1.00 12.10 ATOM 1013 CD2 LEU 64 -14.258 21.560 2.055 1.00 42.24 ATOM 1014 HD21 LEU 64 -14.765 20.630 2.187 1.00 61.24 ATOM 1015 HD22 LEU 64 -14.905 22.356 2.391 1.00 5.34 ATOM 1016 HD23 LEU 64 -13.358 21.569 2.656 1.00 72.24 ATOM 1017 C LEU 64 -11.697 23.586 -0.331 1.00 64.31 ATOM 1018 O LEU 64 -12.383 24.437 -0.897 1.00 4.35 ATOM 1019 N VAL 65 -10.877 23.870 0.676 1.00 23.51 ATOM 1020 HN VAL 65 -10.342 23.145 1.071 1.00 37.53 ATOM 1021 CA VAL 65 -10.732 25.228 1.185 1.00 54.32 ATOM 1022 HA VAL 65 -11.668 25.519 1.638 1.00 41.44 ATOM 1023 CB VAL 65 -9.628 25.313 2.255 1.00 61.40 ATOM 1024 HB VAL 65 -8.693 25.009 1.807 1.00 60.20 ATOM 1025 CG1 VAL 65 -9.476 26.741 2.754 1.00 45.41 ATOM 1026 HG11 VAL 65 -10.444 27.165 2.975 1.00 43.52 ATOM 1027 HG12 VAL 65 -8.993 27.321 1.995 1.00 4.30 ATOM 1028 HG13 VAL 65 -8.869 26.759 3.647 1.00 14.20 ATOM 1029 CG2 VAL 65 -9.930 24.366 3.407 1.00 4.11 ATOM 1030 HG21 VAL 65 -10.887 24.618 3.842 1.00 72.41 ATOM 1031 HG22 VAL 65 -9.169 24.460 4.155 1.00 32.54 ATOM 1032 HG23 VAL 65 -9.955 23.355 3.059 1.00 21.42 ATOM 1033 C VAL 65 -10.410 26.205 0.059 1.00 31.05 ATOM 1034 O VAL 65 -10.754 27.385 0.131 1.00 45.13 ATOM 1035 N ARG 66 -9.749 25.705 -0.979 1.00 43.12 ATOM 1036 HN ARG 66 -9.457 24.766 -0.973 1.00 37.53 ATOM 1037 CA ARG 66 -9.379 26.534 -2.120 1.00 72.23 ATOM 1038 HA ARG 66 -9.063 27.503 -1.757 1.00 33.24 ATOM 1039 CB ARG 66 -8.224 25.892 -2.891 1.00 72.11 ATOM 1040 HB1 ARG 66 -8.170 26.332 -3.882 1.00 37.53 ATOM 1041 HB2 ARG 66 -8.414 24.833 -2.990 1.00 12.24 ATOM 1042 CG ARG 66 -6.871 26.072 -2.222 1.00 72.23 ATOM 1043 HG1 ARG 66 -6.849 25.487 -1.314 1.00 37.53 ATOM 1044 HG2 ARG 66 -6.732 27.118 -1.982 1.00 63.50 ATOM 1045 CD ARG 66 -5.737 25.619 -3.129 1.00 32.24 ATOM 1046 HD1 ARG 66 -5.964 25.886 -4.155 1.00 37.53 ATOM 1047 HD2 ARG 66 -5.648 24.545 -3.050 1.00 61.40 ATOM 1048 NE ARG 66 -4.464 26.232 -2.760 1.00 41.24 ATOM 1049 HE ARG 66 -4.474 26.944 -2.078 1.00 43.03 ATOM 1050 CZ ARG 66 -3.299 25.884 -3.295 1.00 23.25 ATOM 1051 NH1 ARG 66 -3.246 24.932 -4.216 1.00 31.22 ATOM 1052 HH11 ARG 66 -4.070 24.461 -4.526 1.00 55.10 ATOM 1053 HH12 ARG 66 -2.362 24.676 -4.613 1.00 55.23 ATOM 1054 NH2 ARG 66 -2.183 26.489 -2.908 1.00 22.45 ATOM 1055 HH21 ARG 66 -2.216 27.209 -2.212 1.00 65.14 ATOM 1056 HH22 ARG 66 -1.303 26.228 -3.310 1.00 35.31 ATOM 1057 C ARG 66 -10.571 26.742 -3.050 1.00 13.34 ATOM 1058 O ARG 66 -10.737 27.814 -3.632 1.00 15.55 ATOM 1059 N ASP 67 -11.397 25.711 -3.184 1.00 73.32 ATOM 1060 HN ASP 67 -11.208 24.870 -2.709 1.00 37.53 ATOM 1061 CA ASP 67 -12.574 25.781 -4.042 1.00 74.52 ATOM 1062 HA ASP 67 -12.265 26.187 -5.000 1.00 72.22 ATOM 1063 CB ASP 67 -13.160 24.384 -4.255 1.00 71.23 ATOM 1064 HB1 ASP 67 -13.769 24.103 -3.405 1.00 37.53 ATOM 1065 HB2 ASP 67 -12.351 23.674 -4.355 1.00 3.13 ATOM 1066 CG ASP 67 -14.011 24.298 -5.507 1.00 62.52 ATOM 1067 OD1 ASP 67 -14.254 23.169 -5.983 1.00 34.42 ATOM 1068 OD2 ASP 67 -14.434 25.359 -6.011 1.00 22.12 ATOM 1069 C ASP 67 -13.631 26.702 -3.441 1.00 41.43 ATOM 1070 O ASP 67 -14.232 27.515 -4.145 1.00 35.52 ATOM 1071 N ILE 68 -13.852 26.570 -2.138 1.00 1.12 ATOM 1072 HN ILE 68 -13.323 25.916 -1.629 1.00 37.53 ATOM 1073 CA ILE 68 -14.836 27.391 -1.443 1.00 44.21 ATOM 1074 HA ILE 68 -15.818 27.111 -1.803 1.00 1.35 ATOM 1075 CB ILE 68 -14.789 27.158 0.079 1.00 54.44 ATOM 1076 HB ILE 68 -13.804 27.436 0.432 1.00 72.25 ATOM 1077 CG1 ILE 68 -15.044 25.684 0.399 1.00 13.10 ATOM 1078 HG11 ILE 68 -14.539 25.048 -0.301 1.00 37.53 ATOM 1079 HG12 ILE 68 -16.105 25.481 0.336 1.00 44.02 ATOM 1080 CG2 ILE 68 -15.809 28.043 0.781 1.00 60.31 ATOM 1081 HG21 ILE 68 -15.509 29.078 0.716 1.00 72.41 ATOM 1082 HG22 ILE 68 -15.870 27.764 1.822 1.00 62.14 ATOM 1083 HG23 ILE 68 -16.782 27.920 0.323 1.00 13.12 ATOM 1084 CD1 ILE 68 -14.589 25.279 1.783 1.00 4.13 ATOM 1085 HD11 ILE 68 -13.634 24.786 1.714 1.00 45.21 ATOM 1086 HD12 ILE 68 -15.310 24.596 2.207 1.00 40.01 ATOM 1087 HD13 ILE 68 -14.501 26.145 2.426 1.00 61.44 ATOM 1088 C ILE 68 -14.613 28.873 -1.726 1.00 54.03 ATOM 1089 O ILE 68 -15.565 29.624 -1.941 1.00 31.03 ATOM 1090 N ARG 69 -13.350 29.287 -1.727 1.00 74.33 ATOM 1091 HN ARG 69 -12.627 28.642 -1.540 1.00 37.53 ATOM 1092 CA ARG 69 -13.003 30.679 -1.985 1.00 63.11 ATOM 1093 HA ARG 69 -13.554 31.290 -1.289 1.00 3.03 ATOM 1094 CB ARG 69 -11.505 30.901 -1.767 1.00 41.45 ATOM 1095 HB1 ARG 69 -10.967 30.485 -2.612 1.00 37.53 ATOM 1096 HB2 ARG 69 -11.193 30.378 -0.882 1.00 25.33 ATOM 1097 CG ARG 69 -11.122 32.365 -1.618 1.00 61.32 ATOM 1098 HG1 ARG 69 -11.270 32.660 -0.594 1.00 37.53 ATOM 1099 HG2 ARG 69 -11.746 32.972 -2.262 1.00 42.51 ATOM 1100 CD ARG 69 -9.667 32.601 -1.993 1.00 72.21 ATOM 1101 HD1 ARG 69 -9.441 32.040 -2.892 1.00 37.53 ATOM 1102 HD2 ARG 69 -9.055 32.258 -1.189 1.00 41.53 ATOM 1103 NE ARG 69 -9.384 34.015 -2.225 1.00 74.32 ATOM 1104 HE ARG 69 -10.036 34.676 -1.894 1.00 71.21 ATOM 1105 CZ ARG 69 -8.298 34.454 -2.850 1.00 63.25 ATOM 1106 NH1 ARG 69 -7.397 33.593 -3.304 1.00 43.52 ATOM 1107 HH11 ARG 69 -7.505 32.610 -3.181 1.00 73.41 ATOM 1108 HH12 ARG 69 -6.596 33.931 -3.799 1.00 21.33 ATOM 1109 NH2 ARG 69 -8.111 35.756 -3.023 1.00 40.14 ATOM 1110 HH21 ARG 69 -8.782 36.409 -2.680 1.00 72.40 ATOM 1111 HH22 ARG 69 -7.294 36.089 -3.499 1.00 10.51 ATOM 1112 C ARG 69 -13.386 31.081 -3.406 1.00 74.12 ATOM 1113 O ARG 69 -13.989 32.132 -3.623 1.00 52.21 ATOM 1114 N ARG 70 -13.032 30.237 -4.370 1.00 54.42 ATOM 1115 HN ARG 70 -12.542 29.412 -4.136 1.00 37.53 ATOM 1116 CA ARG 70 -13.338 30.506 -5.770 1.00 61.43 ATOM 1117 HA ARG 70 -12.818 31.408 -6.053 1.00 63.03 ATOM 1118 CB ARG 70 -12.853 29.352 -6.650 1.00 44.23 ATOM 1119 HB1 ARG 70 -13.268 28.430 -6.269 1.00 37.53 ATOM 1120 HB2 ARG 70 -11.774 29.298 -6.594 1.00 14.31 ATOM 1121 CG ARG 70 -13.259 29.486 -8.109 1.00 11.13 ATOM 1122 HG1 ARG 70 -14.330 29.583 -8.191 1.00 37.53 ATOM 1123 HG2 ARG 70 -12.945 28.595 -8.633 1.00 70.14 ATOM 1124 CD ARG 70 -12.594 30.686 -8.764 1.00 53.34 ATOM 1125 HD1 ARG 70 -11.548 30.456 -8.908 1.00 37.53 ATOM 1126 HD2 ARG 70 -12.688 31.554 -8.130 1.00 32.31 ATOM 1127 NE ARG 70 -13.193 31.005 -10.058 1.00 12.03 ATOM 1128 HE ARG 70 -14.017 30.528 -10.316 1.00 13.04 ATOM 1129 CZ ARG 70 -12.691 31.901 -10.899 1.00 44.35 ATOM 1130 NH1 ARG 70 -11.586 32.564 -10.586 1.00 22.22 ATOM 1131 HH11 ARG 70 -11.112 32.408 -9.721 1.00 12.32 ATOM 1132 HH12 ARG 70 -11.214 33.237 -11.229 1.00 3.30 ATOM 1133 NH2 ARG 70 -13.293 32.136 -12.058 1.00 70.12 ATOM 1134 HH21 ARG 70 -14.128 31.638 -12.302 1.00 41.23 ATOM 1135 HH22 ARG 70 -12.916 32.812 -12.694 1.00 32.41 ATOM 1136 C ARG 70 -14.836 30.716 -5.969 1.00 71.32 ATOM 1137 O ARG 70 -15.261 31.708 -6.561 1.00 45.23 ATOM 1138 N ARG 71 -15.632 29.775 -5.471 1.00 64.11 ATOM 1139 HN ARG 71 -15.232 29.002 -5.004 1.00 37.53 ATOM 1140 CA ARG 71 -17.082 29.856 -5.596 1.00 0.04 ATOM 1141 HA ARG 71 -17.326 29.924 -6.650 1.00 11.44 ATOM 1142 CB ARG 71 -17.737 28.607 -5.003 1.00 63.21 ATOM 1143 HB1 ARG 71 -18.745 28.845 -4.681 1.00 37.53 ATOM 1144 HB2 ARG 71 -17.165 28.295 -4.138 1.00 14.02 ATOM 1145 CG ARG 71 -17.831 27.447 -5.981 1.00 23.45 ATOM 1146 HG1 ARG 71 -16.986 27.475 -6.658 1.00 37.53 ATOM 1147 HG2 ARG 71 -18.741 27.547 -6.545 1.00 31.45 ATOM 1148 CD ARG 71 -17.825 26.108 -5.259 1.00 13.24 ATOM 1149 HD1 ARG 71 -16.900 26.018 -4.705 1.00 37.53 ATOM 1150 HD2 ARG 71 -17.876 25.314 -5.991 1.00 45.40 ATOM 1151 NE ARG 71 -18.944 25.984 -4.328 1.00 21.11 ATOM 1152 HE ARG 71 -18.738 26.021 -3.368 1.00 12.42 ATOM 1153 CZ ARG 71 -20.206 25.826 -4.712 1.00 44.11 ATOM 1154 NH1 ARG 71 -20.508 25.773 -6.002 1.00 44.10 ATOM 1155 HH11 ARG 71 -19.815 25.837 -6.710 1.00 31.54 ATOM 1156 HH12 ARG 71 -21.466 25.665 -6.277 1.00 34.03 ATOM 1157 NH2 ARG 71 -21.168 25.720 -3.805 1.00 53.31 ATOM 1158 HH21 ARG 71 -20.946 25.759 -2.829 1.00 35.52 ATOM 1159 HH22 ARG 71 -22.121 25.601 -4.092 1.00 74.32 ATOM 1160 C ARG 71 -17.618 31.103 -4.899 1.00 54.44 ATOM 1161 O ARG 71 -18.521 31.769 -5.405 1.00 35.25 ATOM 1162 N GLY 72 -17.055 31.414 -3.735 1.00 75.24 ATOM 1163 HN GLY 72 -16.345 30.848 -3.358 1.00 37.53 ATOM 1164 CA GLY 72 -17.490 32.580 -2.989 1.00 34.45 ATOM 1165 HA1 GLY 72 -16.962 32.603 -2.053 1.00 37.53 ATOM 1166 HA2 GLY 72 -18.550 32.501 -2.787 1.00 21.32 ATOM 1167 C GLY 72 -17.225 33.875 -3.729 1.00 43.04 ATOM 1168 O GLY 72 -18.002 34.825 -3.633 1.00 41.12 ATOM 1169 N LYS 73 -16.123 33.916 -4.470 1.00 65.43 ATOM 1170 HN LYS 73 -15.532 33.128 -4.512 1.00 37.53 ATOM 1171 CA LYS 73 -15.755 35.104 -5.231 1.00 4.01 ATOM 1172 HA LYS 73 -16.045 35.978 -4.656 1.00 24.42 ATOM 1173 CB LYS 73 -14.243 35.138 -5.464 1.00 25.31 ATOM 1174 HB1 LYS 73 -14.003 34.592 -6.370 1.00 37.53 ATOM 1175 HB2 LYS 73 -13.751 34.654 -4.630 1.00 32.51 ATOM 1176 CG LYS 73 -13.676 36.542 -5.579 1.00 40.30 ATOM 1177 HG1 LYS 73 -13.771 37.038 -4.625 1.00 37.53 ATOM 1178 HG2 LYS 73 -14.246 37.086 -6.321 1.00 0.23 ATOM 1179 CD LYS 73 -12.220 36.522 -6.015 1.00 14.53 ATOM 1180 HD1 LYS 73 -11.977 37.482 -6.446 1.00 37.53 ATOM 1181 HD2 LYS 73 -12.068 35.749 -6.758 1.00 32.13 ATOM 1182 CE LYS 73 -11.290 36.269 -4.838 1.00 40.15 ATOM 1183 HE1 LYS 73 -10.311 36.023 -5.222 1.00 37.53 ATOM 1184 HE2 LYS 73 -11.662 35.436 -4.256 1.00 72.53 ATOM 1185 NZ LYS 73 -11.172 37.464 -3.957 1.00 70.32 ATOM 1186 HZ1 LYS 73 -12.109 37.779 -3.634 1.00 61.10 ATOM 1187 HZ2 LYS 73 -10.716 38.245 -4.470 1.00 41.34 ATOM 1188 HZ3 LYS 73 -10.599 37.235 -3.125 1.00 70.31 ATOM 1189 C LYS 73 -16.487 35.142 -6.569 1.00 3.15 ATOM 1190 O LYS 73 -16.751 36.214 -7.112 1.00 21.24 ATOM 1191 N ASN 74 -16.813 33.965 -7.093 1.00 42.33 ATOM 1192 HN ASN 74 -16.562 33.135 -6.627 1.00 37.53 ATOM 1193 CA ASN 74 -17.516 33.865 -8.367 1.00 64.12 ATOM 1194 HA ASN 74 -16.905 34.353 -9.118 1.00 3.24 ATOM 1195 CB ASN 74 -17.715 32.397 -8.749 1.00 65.33 ATOM 1196 HB1 ASN 74 -18.620 32.010 -8.294 1.00 37.53 ATOM 1197 HB2 ASN 74 -16.874 31.822 -8.389 1.00 42.50 ATOM 1198 CG ASN 74 -17.796 32.196 -10.250 1.00 73.12 ATOM 1199 OD1 ASN 74 -16.775 32.124 -10.935 1.00 14.14 ATOM 1200 ND2 ASN 74 -19.015 32.104 -10.769 1.00 52.52 ATOM 1201 HD21 ASN 74 -19.796 32.168 -10.173 1.00 61.24 ATOM 1202 HD22 ASN 74 -19.089 31.974 -11.737 1.00 31.20 ATOM 1203 C ASN 74 -18.866 34.572 -8.301 1.00 2.11 ATOM 1204 O ASN 74 -19.374 35.061 -9.310 1.00 63.13 ATOM 1205 N LYS 75 -19.442 34.623 -7.105 1.00 14.51 ATOM 1206 HN LYS 75 -19.012 34.187 -6.334 1.00 37.53 ATOM 1207 CA LYS 75 -20.733 35.272 -6.904 1.00 43.23 ATOM 1208 HA LYS 75 -21.439 34.831 -7.599 1.00 73.24 ATOM 1209 CB LYS 75 -21.226 35.041 -5.474 1.00 50.12 ATOM 1210 HB1 LYS 75 -20.726 35.735 -4.807 1.00 37.53 ATOM 1211 HB2 LYS 75 -20.968 34.032 -5.178 1.00 63.42 ATOM 1212 CG LYS 75 -22.728 35.198 -5.316 1.00 55.22 ATOM 1213 HG1 LYS 75 -23.201 34.274 -5.617 1.00 37.53 ATOM 1214 HG2 LYS 75 -23.081 36.001 -5.953 1.00 13.44 ATOM 1215 CD LYS 75 -23.110 35.489 -3.874 1.00 72.15 ATOM 1216 HD1 LYS 75 -22.485 34.912 -3.203 1.00 37.53 ATOM 1217 HD2 LYS 75 -24.142 35.203 -3.731 1.00 3.32 ATOM 1218 CE LYS 75 -22.961 36.966 -3.545 1.00 43.34 ATOM 1219 HE1 LYS 75 -23.213 37.562 -4.414 1.00 37.53 ATOM 1220 HE2 LYS 75 -21.936 37.157 -3.268 1.00 13.14 ATOM 1221 NZ LYS 75 -23.846 37.376 -2.420 1.00 5.21 ATOM 1222 HZ1 LYS 75 -24.844 37.206 -2.664 1.00 43.41 ATOM 1223 HZ2 LYS 75 -23.721 38.389 -2.221 1.00 62.20 ATOM 1224 HZ3 LYS 75 -23.612 36.837 -1.560 1.00 71.44 ATOM 1225 C LYS 75 -20.639 36.768 -7.185 1.00 40.54 ATOM 1226 O LYS 75 -21.606 37.389 -7.628 1.00 62.11 ATOM 1227 N VAL 76 -19.468 37.342 -6.927 1.00 12.53 ATOM 1228 HN VAL 76 -18.726 36.789 -6.606 1.00 37.53 ATOM 1229 CA VAL 76 -19.248 38.766 -7.154 1.00 64.44 ATOM 1230 HA VAL 76 -19.978 39.315 -6.570 1.00 20.41 ATOM 1231 CB VAL 76 -17.840 39.195 -6.700 1.00 10.11 ATOM 1232 HB VAL 76 -17.108 38.733 -7.351 1.00 2.32 ATOM 1233 CG1 VAL 76 -17.682 40.704 -6.805 1.00 52.31 ATOM 1234 HG11 VAL 76 -18.449 41.193 -6.221 1.00 3.21 ATOM 1235 HG12 VAL 76 -17.763 41.013 -7.836 1.00 64.12 ATOM 1236 HG13 VAL 76 -16.710 40.994 -6.428 1.00 33.15 ATOM 1237 CG2 VAL 76 -17.571 38.720 -5.280 1.00 11.30 ATOM 1238 HG21 VAL 76 -18.346 39.086 -4.620 1.00 44.23 ATOM 1239 HG22 VAL 76 -16.613 39.098 -4.947 1.00 13.13 ATOM 1240 HG23 VAL 76 -17.550 37.645 -5.246 1.00 63.23 ATOM 1241 C VAL 76 -19.425 39.121 -8.626 1.00 62.54 ATOM 1242 O VAL 76 -19.897 40.207 -8.961 1.00 60.51 ATOM 1243 N ALA 77 -19.043 38.197 -9.502 1.00 72.43 ATOM 1244 HN ALA 77 -18.665 37.345 -9.182 1.00 37.53 ATOM 1245 CA ALA 77 -19.162 38.411 -10.939 1.00 72.31 ATOM 1246 HA ALA 77 -18.913 39.443 -11.158 1.00 14.34 ATOM 1247 CB ALA 77 -18.174 37.529 -11.688 1.00 4.22 ATOM 1248 HB1 ALA 77 -18.409 36.488 -11.513 1.00 24.35 ATOM 1249 HB2 ALA 77 -17.174 37.734 -11.335 1.00 41.44 ATOM 1250 HB3 ALA 77 -18.229 37.738 -12.747 1.00 65.21 ATOM 1251 C ALA 77 -20.584 38.140 -11.419 1.00 32.43 ATOM 1252 O ALA 77 -21.020 38.679 -12.435 1.00 61.03 ATOM 1253 N ALA 78 -21.303 37.300 -10.680 1.00 64.14 ATOM 1254 HN ALA 78 -20.900 36.874 -9.893 1.00 37.53 ATOM 1255 CA ALA 78 -22.676 36.958 -11.030 1.00 42.40 ATOM 1256 HA ALA 78 -22.677 36.538 -12.028 1.00 24.12 ATOM 1257 CB ALA 78 -23.216 35.902 -10.077 1.00 40.23 ATOM 1258 HB1 ALA 78 -23.283 36.309 -9.078 1.00 54.33 ATOM 1259 HB2 ALA 78 -22.551 35.051 -10.072 1.00 53.24 ATOM 1260 HB3 ALA 78 -24.197 35.587 -10.404 1.00 0.31 ATOM 1261 C ALA 78 -23.570 38.194 -11.015 1.00 24.20 ATOM 1262 O ALA 78 -24.531 38.284 -11.777 1.00 75.33 ATOM 1263 N GLN 79 -23.245 39.142 -10.142 1.00 54.43 ATOM 1264 HN GLN 79 -22.462 39.015 -9.564 1.00 37.53 ATOM 1265 CA GLN 79 -24.021 40.372 -10.028 1.00 21.10 ATOM 1266 HA GLN 79 -25.051 40.162 -10.291 1.00 4.00 ATOM 1267 CB GLN 79 -23.989 40.888 -8.588 1.00 61.03 ATOM 1268 HB1 GLN 79 -24.509 40.180 -7.959 1.00 37.53 ATOM 1269 HB2 GLN 79 -24.513 41.836 -8.547 1.00 45.33 ATOM 1270 CG GLN 79 -22.584 41.067 -8.037 1.00 45.44 ATOM 1271 HG1 GLN 79 -21.937 41.457 -8.804 1.00 37.53 ATOM 1272 HG2 GLN 79 -22.213 40.109 -7.709 1.00 54.21 ATOM 1273 CD GLN 79 -22.535 42.023 -6.862 1.00 12.13 ATOM 1274 OE1 GLN 79 -23.562 42.552 -6.434 1.00 23.31 ATOM 1275 NE2 GLN 79 -21.339 42.250 -6.332 1.00 1.22 ATOM 1276 HE21 GLN 79 -20.552 41.799 -6.714 1.00 22.14 ATOM 1277 HE22 GLN 79 -21.287 42.865 -5.571 1.00 14.24 ATOM 1278 C GLN 79 -23.489 41.441 -10.976 1.00 4.40 ATOM 1279 O GLN 79 -24.230 42.320 -11.415 1.00 24.20 ATOM 1280 N ASN 80 -22.199 41.361 -11.287 1.00 61.51 ATOM 1281 HN ASN 80 -21.642 40.645 -10.907 1.00 37.53 ATOM 1282 CA ASN 80 -21.567 42.323 -12.183 1.00 20.53 ATOM 1283 HA ASN 80 -22.179 43.217 -12.236 1.00 21.21 ATOM 1284 CB ASN 80 -20.185 42.712 -11.653 1.00 53.25 ATOM 1285 HB1 ASN 80 -19.680 43.333 -12.384 1.00 37.53 ATOM 1286 HB2 ASN 80 -19.604 41.815 -11.495 1.00 20.01 ATOM 1287 CG ASN 80 -20.262 43.493 -10.356 1.00 13.12 ATOM 1288 OD1 ASN 80 -20.845 44.576 -10.304 1.00 3.50 ATOM 1289 ND2 ASN 80 -19.673 42.945 -9.300 1.00 21.24 ATOM 1290 HD21 ASN 80 -19.221 42.076 -9.397 1.00 4.20 ATOM 1291 HD22 ASN 80 -19.712 43.436 -8.453 1.00 31.12 ATOM 1292 C ASN 80 -21.442 41.753 -13.592 1.00 62.44 ATOM 1293 O ASN 80 -20.426 41.942 -14.262 1.00 22.33 ATOM 1294 N TYR 81 -22.481 41.055 -14.037 1.00 12.21 ATOM 1295 HN TYR 81 -23.286 40.962 -13.489 1.00 37.53 ATOM 1296 CA TYR 81 -22.487 40.456 -15.366 1.00 74.01 ATOM 1297 HA TYR 81 -21.471 40.454 -15.751 1.00 33.14 ATOM 1298 CB TYR 81 -22.986 39.012 -15.295 1.00 74.21 ATOM 1299 HB1 TYR 81 -24.067 38.989 -15.390 1.00 37.53 ATOM 1300 HB2 TYR 81 -22.722 38.597 -14.328 1.00 2.30 ATOM 1301 CG TYR 81 -22.397 38.114 -16.360 1.00 11.42 ATOM 1302 CD1 TYR 81 -21.249 37.372 -16.112 1.00 71.44 ATOM 1303 HD1 TYR 81 -20.775 37.439 -15.143 1.00 51.00 ATOM 1304 CD2 TYR 81 -22.987 38.010 -17.613 1.00 52.13 ATOM 1305 HD2 TYR 81 -23.881 38.581 -17.826 1.00 31.43 ATOM 1306 CE1 TYR 81 -20.707 36.551 -17.082 1.00 65.12 ATOM 1307 HE1 TYR 81 -19.814 35.982 -16.870 1.00 63.11 ATOM 1308 CE2 TYR 81 -22.452 37.191 -18.589 1.00 34.15 ATOM 1309 HE2 TYR 81 -22.926 37.123 -19.557 1.00 31.32 ATOM 1310 CZ TYR 81 -21.312 36.464 -18.318 1.00 71.54 ATOM 1311 OH TYR 81 -20.775 35.647 -19.288 1.00 15.43 ATOM 1312 HH TYR 81 -20.351 36.181 -19.967 1.00 53.24 ATOM 1313 C TYR 81 -23.361 41.261 -16.323 1.00 13.43 ATOM 1314 O TYR 81 -24.325 41.906 -15.908 1.00 24.13 ATOM 1315 N ARG 82 -23.018 41.219 -17.606 1.00 23.32 ATOM 1316 HN ARG 82 -22.247 40.665 -17.873 1.00 37.53 ATOM 1317 CA ARG 82 -23.769 41.944 -18.623 1.00 14.33 ATOM 1318 HA ARG 82 -23.748 42.995 -18.362 1.00 4.13 ATOM 1319 CB ARG 82 -23.113 41.771 -19.993 1.00 60.45 ATOM 1320 HB1 ARG 82 -23.625 42.412 -20.700 1.00 37.53 ATOM 1321 HB2 ARG 82 -23.220 40.741 -20.310 1.00 73.21 ATOM 1322 CG ARG 82 -21.632 42.113 -20.007 1.00 71.54 ATOM 1323 HG1 ARG 82 -21.074 41.273 -19.620 1.00 37.53 ATOM 1324 HG2 ARG 82 -21.456 42.982 -19.386 1.00 31.42 ATOM 1325 CD ARG 82 -21.144 42.420 -21.415 1.00 35.15 ATOM 1326 HD1 ARG 82 -20.187 42.918 -21.345 1.00 37.53 ATOM 1327 HD2 ARG 82 -21.855 43.084 -21.891 1.00 21.13 ATOM 1328 NE ARG 82 -20.988 41.209 -22.216 1.00 55.44 ATOM 1329 HE ARG 82 -20.950 40.345 -21.743 1.00 53.41 ATOM 1330 CZ ARG 82 -20.890 41.213 -23.541 1.00 64.01 ATOM 1331 NH1 ARG 82 -20.930 42.358 -24.209 1.00 62.41 ATOM 1332 HH11 ARG 82 -21.030 43.233 -23.743 1.00 12.41 ATOM 1333 HH12 ARG 82 -20.858 42.348 -25.209 1.00 61.35 ATOM 1334 NH2 ARG 82 -20.750 40.070 -24.200 1.00 65.03 ATOM 1335 HH21 ARG 82 -20.718 39.202 -23.701 1.00 44.12 ATOM 1336 HH22 ARG 82 -20.676 40.070 -25.200 1.00 74.30 ATOM 1337 C ARG 82 -25.217 41.464 -18.675 1.00 64.42 ATOM 1338 O ARG 82 -25.481 40.264 -18.759 1.00 14.15 ATOM 1339 N LYS 83 -26.150 42.408 -18.625 1.00 73.44 ATOM 1340 HN LYS 83 -25.877 43.355 -18.565 1.00 37.53 ATOM 1341 CA LYS 83 -27.571 42.082 -18.668 1.00 50.30 ATOM 1342 HA LYS 83 -27.757 41.329 -17.907 1.00 53.34 ATOM 1343 CB LYS 83 -28.409 43.323 -18.350 1.00 70.23 ATOM 1344 HB1 LYS 83 -28.506 43.926 -19.242 1.00 37.53 ATOM 1345 HB2 LYS 83 -27.886 43.905 -17.600 1.00 3.03 ATOM 1346 CG LYS 83 -29.786 43.001 -17.796 1.00 21.14 ATOM 1347 HG1 LYS 83 -29.703 42.870 -16.727 1.00 37.53 ATOM 1348 HG2 LYS 83 -30.155 42.083 -18.239 1.00 30.21 ATOM 1349 CD LYS 83 -30.775 44.121 -18.073 1.00 63.34 ATOM 1350 HD1 LYS 83 -30.323 45.073 -17.826 1.00 37.53 ATOM 1351 HD2 LYS 83 -31.649 43.971 -17.455 1.00 22.00 ATOM 1352 CE LYS 83 -31.201 44.139 -19.534 1.00 25.35 ATOM 1353 HE1 LYS 83 -30.368 43.885 -20.173 1.00 37.53 ATOM 1354 HE2 LYS 83 -31.536 45.136 -19.776 1.00 51.25 ATOM 1355 NZ LYS 83 -32.317 43.190 -19.797 1.00 73.44 ATOM 1356 HZ1 LYS 83 -32.028 42.217 -19.564 1.00 34.23 ATOM 1357 HZ2 LYS 83 -32.583 43.226 -20.801 1.00 42.03 ATOM 1358 HZ3 LYS 83 -33.149 43.441 -19.223 1.00 1.02 ATOM 1359 C LYS 83 -27.962 41.528 -20.034 1.00 44.35 ATOM 1360 O LYS 83 -27.807 42.200 -21.054 1.00 51.43 ATOM 1361 N ARG 84 -28.469 40.300 -20.047 1.00 13.21 ATOM 1362 HN ARG 84 -28.586 39.813 -19.197 1.00 37.53 ATOM 1363 CA ARG 84 -28.882 39.657 -21.288 1.00 73.33 ATOM 1364 HA ARG 84 -28.265 40.039 -22.096 1.00 34.05 ATOM 1365 CB ARG 84 -28.664 38.145 -21.201 1.00 51.12 ATOM 1366 HB1 ARG 84 -29.118 37.784 -20.288 1.00 37.53 ATOM 1367 HB2 ARG 84 -27.601 37.950 -21.166 1.00 4.41 ATOM 1368 CG ARG 84 -29.255 37.376 -22.371 1.00 75.02 ATOM 1369 HG1 ARG 84 -28.770 37.697 -23.280 1.00 37.53 ATOM 1370 HG2 ARG 84 -30.314 37.573 -22.437 1.00 0.35 ATOM 1371 CD ARG 84 -29.069 35.876 -22.203 1.00 53.11 ATOM 1372 HD1 ARG 84 -29.831 35.366 -22.775 1.00 37.53 ATOM 1373 HD2 ARG 84 -29.184 35.613 -21.158 1.00 70.34 ATOM 1374 NE ARG 84 -27.753 35.434 -22.656 1.00 31.11 ATOM 1375 HE ARG 84 -27.107 35.164 -21.967 1.00 33.43 ATOM 1376 CZ ARG 84 -27.395 35.380 -23.934 1.00 54.20 ATOM 1377 NH1 ARG 84 -28.251 35.740 -24.881 1.00 21.30 ATOM 1378 HH11 ARG 84 -29.172 36.051 -24.669 1.00 35.41 ATOM 1379 HH12 ARG 84 -27.966 35.700 -25.841 1.00 4.53 ATOM 1380 NH2 ARG 84 -26.179 34.967 -24.267 1.00 73.31 ATOM 1381 HH21 ARG 84 -25.527 34.695 -23.556 1.00 4.10 ATOM 1382 HH22 ARG 84 -25.907 34.925 -25.231 1.00 71.50 ATOM 1383 C ARG 84 -30.348 39.953 -21.593 1.00 3.20 ATOM 1384 O ARG 84 -31.223 39.739 -20.754 1.00 53.33 ATOM 1385 N LYS 85 -30.608 40.448 -22.799 1.00 23.44 ATOM 1386 HN LYS 85 -29.868 40.586 -23.437 1.00 37.53 ATOM 1387 CA LYS 85 -31.966 40.773 -23.216 1.00 13.32 ATOM 1388 HA LYS 85 -32.521 41.100 -22.343 1.00 41.42 ATOM 1389 CB LYS 85 -31.949 41.919 -24.230 1.00 74.14 ATOM 1390 HB1 LYS 85 -31.371 41.613 -25.091 1.00 37.53 ATOM 1391 HB2 LYS 85 -31.468 42.777 -23.780 1.00 21.34 ATOM 1392 CG LYS 85 -33.332 42.328 -24.709 1.00 4.33 ATOM 1393 HG1 LYS 85 -33.881 41.461 -25.045 1.00 37.53 ATOM 1394 HG2 LYS 85 -33.213 43.014 -25.537 1.00 71.24 ATOM 1395 CD LYS 85 -34.117 43.026 -23.611 1.00 54.33 ATOM 1396 HD1 LYS 85 -33.570 43.900 -23.285 1.00 37.53 ATOM 1397 HD2 LYS 85 -34.245 42.348 -22.781 1.00 53.01 ATOM 1398 CE LYS 85 -35.491 43.461 -24.099 1.00 61.34 ATOM 1399 HE1 LYS 85 -35.948 42.650 -24.653 1.00 37.53 ATOM 1400 HE2 LYS 85 -35.374 44.316 -24.747 1.00 12.03 ATOM 1401 NZ LYS 85 -36.389 43.831 -22.971 1.00 32.43 ATOM 1402 HZ1 LYS 85 -37.317 44.123 -23.338 1.00 54.23 ATOM 1403 HZ2 LYS 85 -35.983 44.621 -22.428 1.00 23.52 ATOM 1404 HZ3 LYS 85 -36.523 43.018 -22.333 1.00 24.52 ATOM 1405 C LYS 85 -32.657 39.555 -23.820 1.00 64.15 ATOM 1406 O LYS 85 -32.058 38.814 -24.601 1.00 75.44 ATOM 1407 N LEU 86 -33.918 39.354 -23.456 1.00 53.22 ATOM 1408 HN LEU 86 -34.345 39.987 -22.830 1.00 37.53 ATOM 1409 CA LEU 86 -34.691 38.226 -23.964 1.00 71.03 ATOM 1410 HA LEU 86 -34.118 37.325 -23.777 1.00 74.24 ATOM 1411 CB LEU 86 -36.032 38.131 -23.234 1.00 61.22 ATOM 1412 HB1 LEU 86 -36.779 37.731 -23.913 1.00 37.53 ATOM 1413 HB2 LEU 86 -36.343 39.130 -22.959 1.00 62.23 ATOM 1414 CG LEU 86 -36.047 37.274 -21.968 1.00 11.23 ATOM 1415 HG LEU 86 -36.994 37.405 -21.464 1.00 75.41 ATOM 1416 CD1 LEU 86 -35.903 35.801 -22.318 1.00 11.23 ATOM 1417 HD11 LEU 86 -35.967 35.208 -21.416 1.00 13.13 ATOM 1418 HD12 LEU 86 -34.949 35.625 -22.793 1.00 35.14 ATOM 1419 HD13 LEU 86 -36.697 35.508 -22.991 1.00 50.03 ATOM 1420 CD2 LEU 86 -34.942 37.709 -21.017 1.00 24.25 ATOM 1421 HD21 LEU 86 -35.039 38.765 -20.803 1.00 60.30 ATOM 1422 HD22 LEU 86 -33.974 37.520 -21.460 1.00 11.21 ATOM 1423 HD23 LEU 86 -35.025 37.153 -20.094 1.00 52.31 ATOM 1424 C LEU 86 -34.925 38.358 -25.466 1.00 1.32 ATOM 1425 O LEU 86 -35.281 39.429 -25.956 1.00 1.44 ATOM 1426 N GLU 87 -34.724 37.262 -26.190 1.00 32.52 ATOM 1427 HN GLU 87 -34.433 36.432 -25.741 1.00 37.53 ATOM 1428 CA GLU 87 -34.915 37.256 -27.635 1.00 61.24 ATOM 1429 HA GLU 87 -35.889 37.682 -27.848 1.00 3.55 ATOM 1430 CB GLU 87 -33.844 38.110 -28.317 1.00 24.31 ATOM 1431 HB1 GLU 87 -33.992 39.141 -28.034 1.00 37.53 ATOM 1432 HB2 GLU 87 -33.957 38.027 -29.392 1.00 74.23 ATOM 1433 CG GLU 87 -32.424 37.717 -27.944 1.00 61.43 ATOM 1434 HG1 GLU 87 -32.299 36.653 -28.086 1.00 37.53 ATOM 1435 HG2 GLU 87 -32.259 37.959 -26.906 1.00 62.13 ATOM 1436 CD GLU 87 -31.382 38.433 -28.781 1.00 4.13 ATOM 1437 OE1 GLU 87 -31.303 38.154 -29.996 1.00 2.34 ATOM 1438 OE2 GLU 87 -30.645 39.272 -28.221 1.00 60.31 ATOM 1439 C GLU 87 -34.872 35.833 -28.184 1.00 64.43 ATOM 1440 O GLU 87 -34.164 34.973 -27.659 1.00 21.35 ATOM 1441 N THR 88 -35.635 35.590 -29.246 1.00 3.43 ATOM 1442 HN THR 88 -36.193 36.314 -29.619 1.00 37.53 ATOM 1443 CA THR 88 -35.686 34.272 -29.866 1.00 2.35 ATOM 1444 HA THR 88 -34.764 33.741 -29.641 1.00 22.25 ATOM 1445 CB THR 88 -36.870 33.445 -29.330 1.00 2.20 ATOM 1446 HB THR 88 -37.083 32.633 -30.016 1.00 41.33 ATOM 1447 OG1 THR 88 -38.033 34.272 -29.215 1.00 51.33 ATOM 1448 HG1 THR 88 -38.451 34.362 -30.075 1.00 52.43 ATOM 1449 CG2 THR 88 -36.537 32.839 -27.975 1.00 71.52 ATOM 1450 HG21 THR 88 -35.677 32.191 -28.069 1.00 23.41 ATOM 1451 HG22 THR 88 -37.381 32.265 -27.622 1.00 51.22 ATOM 1452 HG23 THR 88 -36.319 33.627 -27.269 1.00 51.53 ATOM 1453 C THR 88 -35.802 34.382 -31.382 1.00 24.25 ATOM 1454 O THR 88 -36.374 35.340 -31.902 1.00 4.10 ATOM 1455 N ILE 89 -35.256 33.395 -32.085 1.00 13.03 ATOM 1456 HN ILE 89 -34.802 32.655 -31.619 1.00 37.53 ATOM 1457 CA ILE 89 -35.301 33.381 -33.542 1.00 22.45 ATOM 1458 HA ILE 89 -35.937 34.190 -33.890 1.00 71.24 ATOM 1459 CB ILE 89 -33.901 33.586 -34.150 1.00 23.15 ATOM 1460 HB ILE 89 -33.272 32.760 -33.844 1.00 53.43 ATOM 1461 CG1 ILE 89 -33.288 34.894 -33.644 1.00 20.41 ATOM 1462 HG11 ILE 89 -33.341 34.928 -32.564 1.00 37.53 ATOM 1463 HG12 ILE 89 -33.837 35.732 -34.048 1.00 65.33 ATOM 1464 CG2 ILE 89 -33.978 33.583 -35.669 1.00 4.40 ATOM 1465 HG21 ILE 89 -33.001 33.781 -36.086 1.00 5.45 ATOM 1466 HG22 ILE 89 -34.662 34.351 -35.999 1.00 31.04 ATOM 1467 HG23 ILE 89 -34.316 32.629 -36.032 1.00 41.21 ATOM 1468 CD1 ILE 89 -31.834 35.066 -34.024 1.00 10.13 ATOM 1469 HD11 ILE 89 -31.752 35.213 -35.090 1.00 44.31 ATOM 1470 HD12 ILE 89 -31.275 34.186 -33.737 1.00 45.44 ATOM 1471 HD13 ILE 89 -31.431 35.928 -33.513 1.00 32.13 ATOM 1472 C ILE 89 -35.881 32.070 -34.061 1.00 30.51 ATOM 1473 O ILE 89 -35.145 31.172 -34.473 1.00 13.52 ATOM 1474 N VAL 90 -37.206 31.966 -34.040 1.00 71.30 ATOM 1475 HN VAL 90 -37.750 32.718 -33.707 1.00 37.53 ATOM 1476 CA VAL 90 -37.886 30.765 -34.512 1.00 14.44 ATOM 1477 HA VAL 90 -37.160 29.959 -34.589 1.00 52.05 ATOM 1478 CB VAL 90 -38.977 30.313 -33.522 1.00 63.02 ATOM 1479 HB VAL 90 -39.732 31.086 -33.463 1.00 11.12 ATOM 1480 CG1 VAL 90 -39.642 29.035 -34.009 1.00 31.54 ATOM 1481 HG11 VAL 90 -38.891 28.280 -34.198 1.00 73.33 ATOM 1482 HG12 VAL 90 -40.195 29.228 -34.915 1.00 15.52 ATOM 1483 HG13 VAL 90 -40.327 28.672 -33.254 1.00 34.51 ATOM 1484 CG2 VAL 90 -38.389 30.122 -32.132 1.00 45.24 ATOM 1485 HG21 VAL 90 -39.164 29.798 -31.451 1.00 23.13 ATOM 1486 HG22 VAL 90 -37.977 31.056 -31.779 1.00 62.35 ATOM 1487 HG23 VAL 90 -37.608 29.375 -32.166 1.00 4.54 ATOM 1488 C VAL 90 -38.520 30.994 -35.879 1.00 42.23 ATOM 1489 O VAL 90 -39.279 31.943 -36.071 1.00 10.51 ATOM 1490 N GLN 91 -38.202 30.117 -36.826 1.00 53.44 ATOM 1491 HN GLN 91 -37.586 29.375 -36.612 1.00 37.53 ATOM 1492 HA GLN 91 -38.384 31.155 -38.600 1.00 32.12 ATOM 1493 CB GLN 91 -38.248 29.061 -39.039 1.00 63.11 ATOM 1494 HB1 GLN 91 -38.769 28.157 -38.761 1.00 37.53 ATOM 1495 HB2 GLN 91 -37.193 28.919 -38.840 1.00 63.23 ATOM 1496 CG GLN 91 -38.400 29.303 -40.532 1.00 61.42 ATOM 1497 HG1 GLN 91 -37.710 28.657 -41.055 1.00 37.53 ATOM 1498 HG2 GLN 91 -38.161 30.334 -40.757 1.00 51.51 ATOM 1499 CD GLN 91 -39.801 29.009 -41.031 1.00 51.41 ATOM 1500 OE1 GLN 91 -40.445 29.861 -41.646 1.00 25.34 ATOM 1501 NE2 GLN 91 -40.282 27.800 -40.769 1.00 31.21 ATOM 1502 HE21 GLN 91 -39.728 27.151 -40.282 1.00 52.35 ATOM 1503 HE22 GLN 91 -41.190 27.598 -41.079 1.00 33.41 ATOM 1504 CA GLN 91 -38.741 30.224 -38.177 1.00 43.42 ATOM 1505 C GLN 91 -40.266 30.246 -38.155 1.00 44.13 ATOM 1506 OT1 GLN 91 -40.867 29.306 -37.588 1.00 37.53 ATOM 1507 OT2 GLN 91 -40.851 31.204 -38.705 1.00 37.53 ATOM 1508 OH2 TIP3 1 -36.992 3.244 -5.662 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -37.433 2.524 -5.212 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -37.005 3.965 -5.032 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -39.881 8.349 -5.450 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -39.261 7.672 -5.723 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -40.089 8.131 -4.542 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -36.480 5.084 -3.314 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -37.422 5.142 -3.153 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -36.204 5.990 -3.451 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -38.228 6.865 -6.689 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -37.803 6.158 -7.174 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -37.911 7.666 -7.106 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -37.069 4.766 -8.180 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -37.326 4.076 -8.792 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -36.998 4.323 -7.335 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -35.383 3.332 0.297 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -35.243 2.741 -0.442 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -35.215 4.205 -0.059 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -39.183 5.406 -2.729 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -39.424 6.068 -2.081 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -39.381 4.572 -2.304 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -33.745 5.782 -13.104 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -33.672 6.721 -12.934 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -32.840 5.477 -13.161 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -32.828 6.013 1.874 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -32.877 5.058 1.837 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -33.654 6.281 2.276 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -38.664 8.439 -9.692 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -39.599 8.539 -9.513 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -38.384 7.730 -9.114 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -35.546 9.881 2.981 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -35.346 10.305 2.146 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -34.890 10.224 3.588 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -33.283 3.054 1.817 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -34.135 3.292 1.450 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -32.693 3.037 1.064 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -34.951 6.040 -10.555 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -35.324 5.214 -10.245 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -34.674 5.857 -11.452 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -37.103 7.639 0.661 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -37.705 7.084 0.166 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -36.822 8.306 0.035 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -33.055 8.496 -12.533 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -32.312 9.082 -12.673 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -33.750 9.064 -12.200 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -33.802 2.157 -10.069 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -32.952 2.578 -9.941 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -33.797 1.417 -9.461 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -33.649 2.995 -3.297 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -32.815 2.617 -3.578 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -33.537 3.938 -3.416 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -35.162 5.873 -0.990 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -35.810 6.198 -0.365 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -35.680 5.433 -1.665 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -39.133 8.159 -1.571 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -40.037 8.324 -1.837 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -38.704 9.012 -1.637 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -36.528 9.729 -1.276 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -36.710 10.645 -1.487 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -36.352 9.319 -2.123 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -35.181 7.164 2.587 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -35.963 6.978 2.067 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -35.253 8.093 2.804 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -36.992 22.100 -43.374 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -37.433 21.380 -42.924 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -37.005 22.821 -42.744 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -42.309 21.594 -41.270 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -42.005 20.908 -41.864 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -41.587 21.712 -40.652 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -39.834 22.507 -46.052 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -40.130 22.185 -46.903 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -40.158 23.407 -46.010 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -36.480 23.940 -41.026 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -37.422 23.998 -40.865 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -36.204 24.846 -41.163 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -38.228 25.721 -44.401 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -37.803 25.014 -44.886 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -37.911 26.522 -44.818 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -37.069 23.622 -45.892 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -37.326 22.932 -46.504 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -36.998 23.179 -45.047 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -35.383 22.188 -37.415 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -35.243 21.597 -38.154 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -35.215 23.061 -37.771 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -44.492 23.418 -42.127 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -44.587 22.840 -42.884 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -43.763 23.047 -41.631 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -44.612 23.158 -36.458 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -44.924 23.940 -36.002 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -45.262 23.005 -37.144 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -40.907 25.259 -45.571 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -40.433 25.554 -44.793 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -41.470 25.997 -45.804 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -46.373 25.230 -35.694 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -46.365 25.094 -36.642 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -47.289 25.112 -35.442 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -32.828 24.869 -35.838 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -32.877 23.914 -35.875 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -33.654 25.137 -35.436 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -41.849 24.443 -36.962 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -41.762 25.269 -36.487 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -42.713 24.113 -36.713 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -41.435 28.215 -47.156 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -41.510 28.094 -48.102 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -41.402 29.165 -47.037 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -38.664 27.295 -47.404 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -39.599 27.395 -47.225 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -38.384 26.586 -46.826 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -41.228 21.403 -37.049 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -41.574 21.022 -36.243 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -41.428 22.337 -36.978 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -38.978 23.865 -37.099 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -39.879 24.048 -37.367 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -38.944 24.124 -36.178 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -45.248 24.032 -45.112 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -44.721 24.805 -45.313 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -46.128 24.257 -45.414 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -45.137 26.717 -45.991 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -46.087 26.822 -45.939 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -44.786 27.537 -45.646 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -39.762 21.943 -39.520 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -40.188 21.716 -38.694 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -39.181 21.205 -39.703 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -45.522 26.339 -33.236 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -44.754 25.880 -32.895 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -45.543 26.113 -34.166 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -38.945 24.719 -34.507 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -39.296 23.863 -34.264 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -38.219 24.862 -33.900 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -33.117 27.399 -40.855 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -33.139 27.584 -39.916 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -32.427 27.968 -41.196 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -33.554 26.966 -37.933 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -34.041 26.231 -38.304 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -33.005 26.573 -37.255 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -35.103 22.756 -33.295 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -35.969 22.651 -32.901 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -34.727 23.515 -32.848 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -35.162 24.729 -38.702 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -35.810 25.054 -38.077 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -35.680 24.289 -39.377 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -36.379 27.489 -45.283 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -35.726 27.142 -45.891 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -35.868 27.978 -44.637 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -46.040 25.393 -38.481 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -46.465 26.202 -38.764 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -45.135 25.478 -38.783 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -48.638 28.649 -38.434 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -49.358 29.089 -38.885 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -49.004 28.398 -37.585 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -46.171 28.249 -39.404 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -47.036 28.321 -39.000 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -46.226 28.796 -40.188 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -47.082 25.982 -42.868 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -47.301 25.066 -42.699 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -46.258 26.122 -42.402 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -44.545 26.452 -42.020 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -44.332 25.564 -42.307 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -44.480 26.418 -41.065 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -35.181 26.020 -35.125 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -35.963 25.834 -35.645 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -35.253 26.949 -34.908 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -39.881 27.205 -24.306 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -39.261 26.528 -24.579 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -40.089 26.987 -23.398 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -38.228 25.721 -25.545 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -37.803 25.014 -26.030 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -37.911 26.522 -25.962 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -40.907 25.259 -26.715 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -40.433 25.554 -25.937 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -41.470 25.997 -26.948 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -33.745 24.638 -31.960 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -33.672 25.577 -31.790 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -32.840 24.333 -32.017 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -41.435 28.215 -28.300 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -41.510 28.094 -29.246 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -41.402 29.165 -28.181 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -38.664 27.295 -28.548 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -39.599 27.395 -28.369 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -38.384 26.586 -27.970 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -40.622 22.678 -30.405 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -40.917 23.504 -30.023 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -41.325 22.058 -30.209 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -34.951 24.896 -29.411 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -35.324 24.070 -29.101 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -34.674 24.713 -30.308 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -37.559 22.872 -31.590 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -37.206 22.492 -30.786 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -38.508 22.779 -31.504 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -33.055 27.352 -31.389 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -32.312 27.938 -31.529 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -33.750 27.920 -31.056 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -43.468 23.984 -33.143 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -43.229 23.236 -33.691 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -43.737 23.596 -32.311 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -41.793 25.252 -29.938 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -42.610 25.749 -29.885 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -41.264 25.727 -30.578 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -44.455 26.295 -29.956 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -44.294 27.095 -30.457 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -44.652 26.602 -29.071 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -36.826 25.664 -32.771 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -36.543 24.870 -32.318 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -36.086 25.897 -33.332 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -40.519 22.621 -33.178 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -40.787 22.801 -32.277 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -40.725 21.695 -33.309 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -43.753 28.480 -31.344 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -42.820 28.638 -31.200 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -44.017 29.155 -31.969 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -32.987 10.468 -14.510 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -32.637 9.814 -15.116 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -32.840 11.305 -14.950 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -36.379 27.489 -26.427 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -35.726 27.142 -27.035 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -35.868 27.978 -25.781 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -36.528 28.585 -20.132 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -36.710 29.501 -20.343 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -36.352 28.175 -20.979 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -34.399 27.269 -28.419 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -34.593 26.521 -28.984 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -34.438 28.027 -29.003 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -33.646 13.195 -2.697 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -33.597 13.805 -1.961 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -33.220 13.656 -3.420 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -38.291 14.220 -7.557 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -37.645 13.891 -6.932 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -37.781 14.738 -8.180 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -33.254 14.673 -0.461 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -33.943 15.331 -0.556 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -33.239 14.476 0.476 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -36.527 13.511 -5.576 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -36.742 12.745 -5.044 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -35.871 13.983 -5.063 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -36.180 12.226 -1.897 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -36.916 12.837 -1.935 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -35.496 12.641 -2.423 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -35.383 22.188 0.297 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -35.243 21.597 -0.442 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -35.215 23.061 -0.059 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -33.541 18.528 -1.637 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -34.193 19.223 -1.548 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -33.076 18.738 -2.447 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -34.935 10.272 -11.481 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -35.834 10.411 -11.186 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -34.683 11.103 -11.883 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -32.828 24.869 1.874 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -32.877 23.914 1.837 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -33.654 25.137 2.276 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -38.833 13.065 -3.296 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -39.510 13.196 -2.632 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -39.319 12.910 -4.106 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -35.546 28.737 2.981 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -35.346 29.161 2.146 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -34.890 29.080 3.588 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -35.598 20.352 -1.788 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -34.956 20.809 -2.331 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -36.428 20.465 -2.250 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -33.283 21.910 1.817 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -34.135 22.148 1.450 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -32.693 21.893 1.064 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -35.522 13.742 0.910 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -36.438 14.005 0.822 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -35.186 13.739 0.013 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -33.117 27.399 -3.143 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -33.139 27.584 -2.204 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -32.427 27.968 -3.484 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -33.554 26.966 -0.221 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -34.041 26.231 -0.592 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -33.005 26.573 0.457 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -35.103 22.756 4.417 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -35.969 22.651 4.811 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -34.727 23.515 4.864 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -33.408 19.066 -8.245 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -34.134 18.587 -7.847 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -32.827 19.272 -7.513 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -33.649 21.851 -3.297 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -32.815 21.473 -3.578 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -33.537 22.794 -3.416 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -35.162 24.729 -0.990 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -35.810 25.054 -0.365 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -35.680 24.289 -1.665 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -34.765 19.557 1.957 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -34.182 18.823 2.148 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -34.201 20.329 2.003 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -33.268 17.460 2.641 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -34.131 17.081 2.476 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -32.664 16.721 2.567 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -35.911 15.170 -9.220 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -35.631 14.263 -9.095 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -35.152 15.604 -9.609 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -35.299 15.751 -3.784 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -34.366 15.963 -3.818 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -35.534 15.853 -2.861 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -32.987 10.468 4.346 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -32.637 9.814 3.740 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -32.840 11.305 3.906 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -35.297 12.433 -9.171 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -35.115 11.984 -8.346 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -35.897 11.848 -9.635 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -33.467 12.577 2.695 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -34.384 12.848 2.659 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -33.344 12.042 1.911 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -33.431 12.500 -12.643 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -33.018 11.779 -13.119 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -32.749 13.170 -12.585 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -34.466 10.667 0.514 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -35.279 10.992 0.126 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -34.233 9.907 -0.019 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -38.573 10.707 -5.879 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -38.497 10.802 -6.828 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -38.849 9.799 -5.750 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -37.220 10.733 -10.186 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -37.923 11.347 -10.396 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -37.665 9.895 -10.055 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -35.181 26.020 2.587 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -35.963 25.834 2.067 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -35.253 26.949 2.804 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -33.745 24.638 5.752 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -33.672 25.577 5.922 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -32.840 24.333 5.695 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -33.247 16.110 7.836 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -33.801 15.714 7.164 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -33.146 17.020 7.559 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -34.951 24.896 8.301 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -35.324 24.070 8.611 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -34.674 24.713 7.404 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -33.055 27.352 6.323 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -32.312 27.938 6.183 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -33.750 27.920 6.656 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -34.261 20.144 4.812 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -34.534 19.719 3.999 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -34.221 21.075 4.595 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -33.117 27.399 15.713 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -33.139 27.584 16.652 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -32.427 27.968 15.372 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -33.554 26.966 18.635 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -34.041 26.231 18.264 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -33.005 26.573 19.313 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -33.802 21.013 8.787 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -32.952 21.434 8.915 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -33.797 20.273 9.395 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -33.408 19.066 10.611 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -34.134 18.587 11.009 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -32.827 19.272 11.343 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -33.140 18.967 7.002 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -33.661 19.324 6.283 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -33.173 19.642 7.680 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -34.791 16.207 5.553 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -34.694 16.874 4.873 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -34.931 15.391 5.071 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -34.399 27.269 9.293 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -34.593 26.521 8.728 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -34.438 28.027 8.709 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -40.698 38.017 -41.676 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -40.736 37.371 -40.971 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -41.021 37.551 -42.447 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -33.646 32.051 -40.409 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -33.597 32.661 -39.673 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -33.220 32.512 -41.132 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -39.168 34.844 -40.942 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -39.025 33.897 -40.922 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -39.274 35.051 -41.871 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -46.013 32.945 -43.670 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -45.970 33.805 -44.088 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -46.471 32.393 -44.303 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -38.291 33.076 -45.269 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -37.645 32.747 -44.644 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -37.781 33.594 -45.892 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -47.203 31.863 -39.596 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -47.422 32.393 -40.362 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -47.871 32.090 -38.948 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -36.527 32.367 -43.288 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -36.742 31.601 -42.756 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -35.871 32.839 -42.775 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -47.609 33.755 -41.643 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -46.996 34.388 -41.270 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -47.097 33.283 -42.300 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -35.383 41.044 -37.415 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -35.243 40.453 -38.154 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -35.215 41.917 -37.771 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -33.541 37.384 -39.349 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -34.193 38.079 -39.260 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -33.076 37.594 -40.159 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -37.607 36.390 -37.623 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -37.527 37.153 -37.051 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -38.208 36.669 -38.314 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -45.908 30.072 -41.365 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -46.769 29.985 -41.773 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -45.930 30.928 -40.938 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -45.817 35.038 -40.270 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -46.459 34.997 -39.561 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -45.780 35.964 -40.508 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -40.284 35.675 -46.541 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -40.693 36.490 -46.833 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -39.564 35.535 -47.156 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -41.182 35.850 -35.053 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -41.745 35.146 -34.733 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -40.356 35.730 -34.586 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -39.280 35.121 -43.727 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -39.475 35.726 -44.442 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -39.098 34.287 -44.162 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -40.016 36.759 -39.056 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -39.692 36.128 -39.699 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -40.456 36.224 -38.395 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -43.238 32.686 -44.272 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -44.149 32.743 -43.983 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -42.733 32.626 -43.461 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -41.918 35.474 -42.385 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -41.354 34.927 -42.932 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -42.066 34.952 -41.596 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -46.916 31.610 -45.967 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -47.233 30.708 -46.002 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -46.135 31.612 -46.519 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -35.598 39.208 -39.500 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -34.956 39.665 -40.043 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -36.428 39.321 -39.962 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -43.598 37.348 -34.989 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -43.894 37.182 -35.884 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -42.667 37.128 -34.999 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -33.283 40.766 -35.895 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -34.135 41.004 -36.262 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -32.693 40.749 -36.648 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -39.462 31.977 -47.657 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -39.242 32.449 -48.460 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -38.904 32.372 -46.986 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -42.262 33.705 -46.822 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -41.450 34.209 -46.776 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -42.507 33.560 -45.908 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -41.378 30.786 -45.884 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -41.725 31.404 -45.239 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -40.720 31.287 -46.365 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -36.920 36.349 -42.706 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -37.717 35.934 -43.035 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -36.475 35.658 -42.215 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -48.338 29.723 -42.347 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -48.567 29.782 -43.274 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -48.781 28.931 -42.040 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -37.822 39.972 -37.086 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -37.077 40.560 -37.206 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -38.579 40.554 -37.023 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -45.433 36.295 -37.108 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -46.051 36.970 -36.827 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -45.089 36.616 -37.941 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -40.413 38.766 -33.830 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -39.460 38.850 -33.858 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -40.573 38.055 -33.211 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -45.093 33.650 -36.025 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -44.943 32.921 -36.628 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -45.091 34.427 -36.584 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -43.099 37.459 -38.293 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -42.348 37.303 -38.866 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -43.438 38.311 -38.569 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -37.367 38.063 -35.187 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -37.648 38.772 -35.765 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -36.424 37.990 -35.338 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -42.611 33.798 -34.538 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -42.847 33.578 -33.636 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -43.394 33.591 -35.047 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -35.103 41.612 -33.295 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -35.969 41.507 -32.901 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -34.727 42.371 -32.848 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -34.765 38.413 -35.755 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -34.182 37.679 -35.564 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -34.201 39.185 -35.709 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -35.299 34.607 -41.496 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -34.366 34.819 -41.530 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -35.534 34.709 -40.573 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -35.297 31.289 -46.883 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -35.115 30.840 -46.058 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -35.897 30.704 -47.347 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -34.167 30.218 -44.429 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -33.555 29.704 -44.956 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -33.784 31.096 -44.406 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -44.130 29.533 -45.240 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -43.256 29.921 -45.270 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -44.266 29.318 -44.317 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -37.220 29.589 -47.898 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -37.923 30.203 -48.108 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -37.665 28.751 -47.767 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -42.986 31.613 -48.350 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -42.808 30.967 -47.667 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -43.040 32.447 -47.883 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -46.779 29.471 -34.000 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -45.880 29.197 -34.185 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -47.165 28.728 -33.536 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -39.631 38.762 -26.239 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -39.542 39.706 -26.371 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -40.270 38.487 -26.897 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -40.698 38.017 -22.820 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -40.736 37.371 -22.115 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -41.021 37.551 -23.591 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -39.881 46.061 -24.306 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -39.261 45.384 -24.579 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -40.089 45.843 -23.398 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -42.309 40.450 -22.414 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -42.005 39.764 -23.008 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -41.587 40.568 -21.796 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -33.646 32.051 -21.553 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -33.597 32.661 -20.817 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -33.220 32.512 -22.276 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -33.254 33.529 -19.317 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -33.943 34.187 -19.412 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -33.239 33.332 -18.380 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -39.834 41.363 -27.196 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -40.130 41.041 -28.047 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -40.158 42.263 -27.154 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -36.180 31.082 -20.753 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -36.916 31.693 -20.791 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -35.496 31.497 -21.279 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -40.910 38.006 -28.787 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -41.622 38.541 -29.138 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -40.219 38.062 -29.447 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -40.856 36.464 -31.748 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -40.155 36.486 -31.097 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -40.554 35.836 -32.404 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -40.907 44.115 -26.715 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -40.433 44.410 -25.937 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -41.470 44.853 -26.948 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -34.935 29.128 -30.337 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -35.834 29.267 -30.042 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -34.683 29.959 -30.739 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -33.745 43.494 -31.960 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -33.672 44.433 -31.790 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -32.840 43.189 -32.017 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -41.849 43.299 -18.106 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -41.762 44.125 -17.631 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -42.713 42.969 -17.857 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -38.664 46.151 -28.548 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -39.599 46.251 -28.369 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -38.384 45.442 -27.970 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -35.676 35.218 -16.502 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -36.083 35.699 -17.222 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -35.635 34.313 -16.809 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -37.919 33.550 -18.281 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -38.433 33.424 -17.484 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -38.074 34.462 -18.526 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -41.182 35.850 -16.197 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -41.745 35.146 -15.877 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -40.356 35.730 -15.730 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -39.280 35.121 -24.871 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -39.475 35.726 -25.586 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -39.098 34.287 -25.306 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -44.701 32.732 -32.749 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -45.132 32.287 -32.019 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -45.419 33.104 -33.261 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -40.016 36.759 -20.200 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -39.692 36.128 -20.843 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -40.456 36.224 -19.539 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -43.238 32.686 -25.416 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -44.149 32.743 -25.127 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -42.733 32.626 -24.605 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -44.757 34.315 -28.933 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -43.825 34.444 -28.755 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -44.972 34.985 -29.582 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -38.833 31.921 -22.152 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -39.510 32.052 -21.488 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -39.319 31.766 -22.962 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -35.546 47.593 -15.875 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -35.346 48.017 -16.710 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -34.890 47.936 -15.268 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -41.918 35.474 -23.529 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -41.354 34.927 -24.076 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -42.066 34.952 -22.740 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -43.292 33.862 -21.115 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -44.127 34.316 -21.005 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -42.768 34.138 -20.363 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -42.748 40.075 -29.430 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -43.492 39.568 -29.753 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -42.882 40.124 -28.484 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -41.228 40.259 -18.193 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -41.574 39.878 -17.387 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -41.428 41.193 -18.122 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -40.622 41.534 -30.405 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -40.917 42.360 -30.023 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -41.325 40.914 -30.209 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -38.978 42.721 -18.243 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -39.879 42.904 -18.511 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -38.944 42.980 -17.322 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -34.951 43.752 -29.411 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -35.324 42.926 -29.101 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -34.674 43.569 -30.308 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -43.306 44.700 -20.365 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -42.943 45.555 -20.598 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -42.774 44.408 -19.624 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -39.762 40.799 -20.664 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -40.188 40.572 -19.838 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -39.181 40.061 -20.847 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -37.559 41.728 -31.590 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -37.206 41.348 -30.786 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -38.508 41.635 -31.504 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -37.103 45.351 -18.195 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -37.705 44.796 -18.690 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -36.822 46.018 -18.821 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -33.055 46.208 -31.389 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -32.312 46.794 -31.529 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -33.750 46.776 -31.056 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -40.246 32.325 -19.898 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -39.548 32.399 -19.248 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -40.627 31.461 -19.743 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -42.262 33.705 -27.966 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -41.450 34.209 -27.920 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -42.507 33.560 -27.052 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -41.726 34.691 -18.781 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -41.607 35.265 -18.024 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -41.071 34.003 -18.666 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -41.378 30.786 -27.028 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -41.725 31.404 -26.383 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -40.720 31.287 -27.509 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -45.721 31.849 -30.340 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -45.804 32.738 -29.994 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -44.831 31.584 -30.109 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -35.522 32.598 -17.946 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -36.438 32.861 -18.034 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -35.186 32.595 -18.843 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -38.945 43.575 -15.651 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -39.296 42.719 -15.408 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -38.219 43.718 -15.044 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -40.519 41.477 -33.178 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -40.787 41.657 -32.277 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -40.725 40.551 -33.309 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -37.822 39.972 -18.230 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -37.077 40.560 -18.350 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -38.579 40.554 -18.167 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -44.722 38.402 -30.608 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -45.181 37.918 -29.922 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -44.467 37.734 -31.244 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -43.651 36.645 -32.345 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -43.831 36.491 -33.273 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -42.700 36.753 -32.301 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -34.261 39.000 -32.900 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -34.534 38.575 -33.713 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -34.221 39.931 -33.117 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -43.099 37.459 -19.437 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -42.348 37.303 -20.010 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -43.438 38.311 -19.713 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -38.683 35.274 -14.409 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -38.491 34.343 -14.520 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -37.826 35.699 -14.419 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -37.367 38.063 -16.331 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -37.648 38.772 -16.909 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -36.424 37.990 -16.482 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -39.895 32.925 -16.606 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -40.843 32.957 -16.474 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -39.583 32.300 -15.952 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -35.103 41.612 -14.439 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -35.969 41.507 -14.045 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -34.727 42.371 -13.992 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -34.765 38.413 -16.899 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -34.182 37.679 -16.708 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -34.201 39.185 -16.853 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -33.268 36.316 -16.215 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -34.131 35.937 -16.380 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -32.664 35.577 -16.289 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -33.467 31.433 -16.161 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -34.384 31.704 -16.197 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -33.344 30.898 -16.945 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -39.384 46.933 -17.422 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -38.707 46.301 -17.662 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -39.062 47.335 -16.614 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -34.466 29.523 -18.342 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -35.279 29.848 -18.730 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -34.233 28.763 -18.875 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -41.460 46.993 -21.372 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -41.917 47.522 -22.026 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -41.297 47.596 -20.647 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -39.133 45.871 -20.427 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -40.037 46.036 -20.693 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -38.704 46.724 -20.493 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -36.528 47.441 -20.132 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -36.710 48.357 -20.343 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -36.352 47.031 -20.979 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -41.036 30.972 -24.019 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -41.711 30.343 -23.764 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -40.472 30.488 -24.622 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -35.894 29.079 -23.907 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -35.290 29.627 -24.408 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -36.763 29.399 -24.147 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -34.167 30.218 -25.573 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -33.555 29.704 -26.100 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -33.784 31.096 -25.550 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -38.573 29.563 -24.735 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -38.497 29.658 -25.684 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -38.849 28.655 -24.606 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -42.986 31.613 -29.494 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -42.808 30.967 -28.811 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -43.040 32.447 -29.027 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -34.399 46.125 -28.419 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -34.593 45.377 -28.984 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -34.438 46.883 -29.003 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -35.181 44.876 -16.269 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -35.963 44.690 -16.789 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -35.253 45.805 -16.052 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -33.745 43.494 -13.104 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -33.672 44.433 -12.934 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -32.840 43.189 -13.161 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -37.156 38.411 -13.664 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -37.114 38.188 -14.594 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -36.307 38.809 -13.474 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -33.055 46.208 -12.533 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -32.312 46.794 -12.673 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -33.750 46.776 -12.200 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -36.826 44.520 -13.915 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -36.543 43.726 -13.462 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -36.086 44.753 -14.476 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -34.261 39.000 -14.044 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -34.534 38.575 -14.857 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -34.221 39.931 -14.261 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -32.987 29.324 4.346 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -32.637 28.670 3.740 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -32.840 30.161 3.906 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -33.467 31.433 2.695 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -34.384 31.704 2.659 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -33.344 30.898 1.911 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -34.466 29.523 0.514 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -35.279 29.848 0.126 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -34.233 28.763 -0.019 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -34.935 29.128 7.375 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -35.834 29.267 7.670 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -34.683 29.959 6.973 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -33.431 31.356 6.213 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -33.018 30.635 5.737 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -32.749 32.026 6.271 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -34.167 30.218 12.139 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -33.555 29.704 11.612 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -33.784 31.096 12.162 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -33.646 50.907 -21.553 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -33.597 51.517 -20.817 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -33.220 51.368 -22.276 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -36.527 51.223 -24.432 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -36.742 50.457 -23.900 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -35.871 51.695 -23.919 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -36.180 49.938 -20.753 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -36.916 50.549 -20.791 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -35.496 50.353 -21.279 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -43.177 48.025 -23.287 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -43.294 47.076 -23.341 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -44.032 48.357 -23.014 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -34.935 47.984 -30.337 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -35.834 48.123 -30.042 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -34.683 48.815 -30.739 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -41.245 48.650 -19.135 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -40.825 48.235 -18.382 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -42.178 48.472 -19.018 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -38.833 50.777 -22.152 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -39.510 50.908 -21.488 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -39.319 50.622 -22.962 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -32.987 48.180 -14.510 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -32.637 47.526 -15.116 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -32.840 49.017 -14.950 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -35.297 50.145 -28.027 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -35.115 49.696 -27.202 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -35.897 49.560 -28.491 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -33.467 50.289 -16.161 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -34.384 50.560 -16.197 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -33.344 49.754 -16.945 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -34.466 48.379 -18.342 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -35.279 48.704 -18.730 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -34.233 47.619 -18.875 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -41.036 49.828 -24.019 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -41.711 49.199 -23.764 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -40.472 49.344 -24.622 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -35.894 47.935 -23.907 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -35.290 48.483 -24.408 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -36.763 48.255 -24.147 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -34.167 49.074 -25.573 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -33.555 48.560 -26.100 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -33.784 49.952 -25.550 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -38.573 48.419 -24.735 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -38.497 48.514 -25.684 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -38.849 47.511 -24.606 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -37.220 48.445 -29.042 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -37.923 49.059 -29.252 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -37.665 47.607 -28.911 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -20.775 1.050 -7.383 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -20.686 1.994 -7.515 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -21.414 0.775 -8.041 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -28.550 4.370 -3.836 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -28.920 3.568 -4.205 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -27.609 4.201 -3.789 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -20.312 -2.868 -3.230 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -20.169 -3.815 -3.210 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -20.418 -2.661 -4.159 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -25.381 -0.820 -5.980 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -24.765 -1.346 -5.471 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -25.967 -1.460 -6.384 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -14.398 -4.183 -0.461 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -15.087 -3.525 -0.556 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -14.383 -4.380 0.476 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -20.978 3.651 -8.340 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -21.274 3.329 -9.191 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -21.302 4.551 -8.298 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -25.778 1.827 -1.596 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -26.518 2.425 -1.493 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -25.064 2.381 -1.912 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -27.370 3.791 -0.809 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -27.376 4.670 -1.187 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -28.224 3.708 -0.384 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -31.249 3.462 -10.027 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -31.521 3.691 -10.916 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -31.204 4.300 -9.567 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -19.372 6.865 -6.689 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -18.947 6.158 -7.174 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -19.055 7.666 -7.106 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -18.213 4.766 -8.180 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -18.470 4.076 -8.792 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -18.142 4.323 -7.335 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -18.648 0.504 -8.979 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -19.380 0.732 -8.406 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -18.201 -0.210 -8.524 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -18.751 -1.322 0.089 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -18.671 -0.559 0.661 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -19.352 -1.043 -0.602 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -27.003 1.134 -7.096 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -27.333 0.764 -7.915 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -26.415 0.464 -6.750 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -26.636 -0.097 -3.463 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -26.071 0.024 -4.226 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -26.317 0.540 -2.824 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -25.756 4.302 1.254 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -26.068 5.084 1.710 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -26.406 4.149 0.568 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -27.517 6.374 2.018 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -27.509 6.238 1.070 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -28.433 6.256 2.270 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -31.920 2.567 -0.692 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -32.421 2.539 -1.507 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -31.914 1.661 -0.382 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -19.477 8.513 -12.441 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -19.102 7.769 -12.912 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -19.473 8.243 -11.523 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -19.808 8.439 -9.692 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -20.743 8.539 -9.513 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -19.528 7.730 -9.114 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -16.820 -2.494 2.354 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -17.227 -2.013 1.634 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -16.779 -3.399 2.047 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -29.671 3.890 0.351 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -29.454 3.529 1.211 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -30.526 3.516 0.141 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -19.063 -4.162 0.575 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -19.577 -4.288 1.372 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -19.218 -3.250 0.330 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -22.326 -1.862 2.659 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -22.889 -2.566 2.979 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -21.500 -1.982 3.126 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -20.424 -2.591 -6.015 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -20.619 -1.986 -6.730 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -20.242 -3.425 -6.450 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -21.160 -0.953 -1.344 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -20.836 -1.584 -1.987 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -21.600 -1.488 -0.683 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -29.092 2.355 2.589 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -28.359 2.609 3.150 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -29.872 2.559 3.104 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -23.062 -2.238 -4.673 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -22.498 -2.785 -5.220 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -23.210 -2.760 -3.884 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -23.892 2.363 -10.574 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -24.636 1.856 -10.897 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -24.026 2.412 -9.628 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -28.767 1.658 -4.805 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -28.022 1.656 -5.406 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -28.689 0.834 -4.323 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -21.766 3.822 -11.549 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -22.061 4.648 -11.167 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -22.469 3.202 -11.353 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -24.742 -0.364 2.723 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -25.038 -0.530 1.828 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -23.811 -0.584 2.713 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -26.392 5.176 -7.400 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -25.865 5.949 -7.601 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -27.272 5.401 -7.702 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -24.965 2.839 -7.824 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -25.206 3.764 -7.782 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -25.705 2.380 -7.428 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -17.837 2.689 -10.508 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -18.114 1.961 -9.952 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -16.910 2.808 -10.302 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -25.675 4.698 -11.831 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -25.528 4.178 -11.041 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -25.678 5.605 -11.525 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -22.937 6.396 -11.082 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -23.754 6.893 -11.029 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -22.408 6.871 -11.722 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -22.870 -3.021 0.075 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -22.751 -2.447 0.832 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -22.215 -3.709 0.190 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -25.599 7.439 -11.100 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -25.438 8.239 -11.601 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -25.796 7.746 -10.215 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -16.666 -5.114 0.910 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -17.582 -4.851 0.822 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -16.330 -5.117 0.013 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -18.064 -1.363 -4.994 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -18.861 -1.778 -5.323 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -17.619 -2.054 -4.503 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -28.606 4.565 -12.424 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -28.014 5.264 -12.148 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -28.147 4.132 -13.143 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -31.263 8.564 2.856 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -30.723 8.347 3.615 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -31.744 7.758 2.666 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -26.666 7.483 4.476 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -25.898 7.024 4.817 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -26.687 7.257 3.546 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -22.574 6.991 -14.149 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -23.218 6.360 -13.827 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -21.812 6.460 -14.381 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -20.089 5.863 3.205 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -20.440 5.007 3.448 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -19.363 6.006 3.812 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -24.701 2.344 3.243 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -25.029 2.615 2.385 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -24.549 1.403 3.155 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -21.557 1.054 3.882 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -20.604 1.138 3.854 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -21.717 0.343 4.501 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -24.243 -0.253 -0.581 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -23.492 -0.409 -1.154 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -24.582 0.599 -0.857 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -19.827 -2.438 4.447 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -19.635 -3.369 4.336 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -18.970 -2.013 4.437 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -24.897 9.624 -12.488 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -23.964 9.782 -12.344 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -25.161 10.299 -13.113 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -31.329 4.260 -13.005 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -30.415 4.339 -12.732 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -31.322 3.573 -13.672 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -14.552 0.210 -8.245 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -15.278 -0.269 -7.847 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -13.971 0.416 -7.513 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -16.765 -1.269 -7.682 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -16.915 -2.214 -7.702 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -17.119 -0.988 -6.838 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -31.730 0.809 -3.672 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -31.546 0.727 -4.607 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -30.881 0.685 -3.248 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -16.443 -3.105 -3.784 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -15.510 -2.893 -3.818 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -16.678 -3.003 -2.861 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -16.414 -2.368 -1.008 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -17.257 -2.100 -0.642 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -15.971 -1.546 -1.219 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -17.523 8.633 -7.571 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -16.870 8.286 -8.179 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -17.012 9.122 -6.925 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -30.138 5.562 2.972 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -30.959 5.737 2.512 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -30.390 5.489 3.893 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -22.252 8.850 -12.243 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -21.386 9.216 -12.421 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -22.499 8.410 -13.056 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -15.543 8.413 -9.563 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -15.737 7.665 -10.128 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -15.582 9.171 -10.147 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -29.298 8.560 -13.615 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -29.566 8.847 -12.742 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -28.527 8.014 -13.463 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -21.025 8.349 13.406 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -20.405 7.672 13.133 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -21.233 8.131 14.314 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -17.624 5.084 15.542 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -18.566 5.142 15.703 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -17.348 5.990 15.405 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -19.372 6.865 12.167 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -18.947 6.158 11.682 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -19.055 7.666 11.750 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -19.777 -0.334 7.562 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -19.198 -0.184 8.309 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -19.363 0.137 6.839 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -13.972 6.013 20.730 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -14.021 5.058 20.693 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -14.798 6.281 21.132 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -19.477 8.513 6.415 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -19.102 7.769 5.944 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -19.473 8.243 7.333 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -19.808 8.439 9.164 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -20.743 8.539 9.343 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -19.528 7.730 9.742 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -18.300 0.699 5.192 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -18.258 0.476 4.262 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -17.451 1.097 5.382 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -16.690 9.881 21.837 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -16.490 10.305 21.002 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -16.034 10.224 22.444 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -14.391 -2.746 7.836 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -14.945 -3.142 7.164 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -14.290 -1.836 7.559 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -16.095 6.040 8.301 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -16.468 5.214 8.611 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -15.818 5.857 7.404 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -18.703 4.016 6.122 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -18.350 3.636 6.926 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -19.652 3.923 6.208 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -18.247 7.639 19.517 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -18.849 7.084 19.022 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -17.966 8.306 18.891 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -17.837 2.689 8.348 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -18.114 1.961 8.904 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -16.910 2.808 8.554 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -24.612 5.128 4.569 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -24.373 4.380 4.021 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -24.881 4.740 5.401 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -22.937 6.396 7.774 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -23.754 6.893 7.827 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -22.408 6.871 7.134 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -25.599 7.439 7.756 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -25.438 8.239 7.255 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -25.796 7.746 8.641 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -16.977 7.893 15.484 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -17.133 8.571 14.827 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -16.045 7.965 15.687 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -22.574 6.991 4.707 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -23.218 6.360 5.029 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -21.812 6.460 4.475 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -21.663 3.765 4.534 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -21.931 3.945 5.435 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -21.869 2.839 4.403 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -24.897 9.624 6.368 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -23.964 9.782 6.512 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -25.161 10.299 5.743 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -14.946 2.157 8.787 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -14.096 2.578 8.915 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -14.941 1.417 9.395 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -14.793 2.995 15.559 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -13.959 2.617 15.278 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -14.681 3.938 15.440 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -16.306 5.873 17.866 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -16.954 6.198 18.491 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -16.824 5.433 17.191 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -14.284 0.111 7.002 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -14.805 0.468 6.283 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -14.317 0.786 7.680 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -15.935 -2.649 5.553 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -15.838 -1.982 4.873 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -16.075 -3.465 5.071 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -16.687 -5.241 4.670 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -16.077 -5.613 5.307 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -17.524 -5.663 4.866 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -17.523 8.633 11.285 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -16.870 8.286 10.677 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -17.012 9.122 11.931 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -17.672 9.729 17.580 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -17.854 10.645 17.369 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -17.496 9.319 16.733 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -22.252 8.850 6.613 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -21.386 9.216 6.435 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -22.499 8.410 5.800 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -15.543 8.413 9.293 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -15.737 7.665 8.728 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -15.582 9.171 8.709 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -29.298 8.560 5.241 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -29.566 8.847 6.114 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -28.527 8.014 5.393 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -16.325 7.164 21.443 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -17.107 6.978 20.923 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -16.397 8.093 21.660 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -31.263 27.420 -34.856 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -30.723 27.203 -34.097 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -31.744 26.614 -35.046 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -32.680 28.509 -45.640 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -33.327 28.047 -46.173 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -32.325 27.837 -45.057 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -31.810 26.590 -43.835 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -32.144 25.709 -43.663 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -31.588 26.935 -42.971 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -29.782 28.649 -38.434 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -30.502 29.089 -38.885 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -30.148 28.398 -37.585 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -16.690 28.737 -15.875 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -16.490 29.161 -16.710 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -16.034 29.080 -15.268 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -19.405 12.703 -14.601 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -19.502 11.751 -14.607 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -19.727 12.972 -13.740 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -24.444 11.597 -14.520 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -24.575 11.121 -15.341 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -25.043 12.341 -14.576 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -32.680 28.509 -26.784 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -33.327 28.047 -27.317 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -32.325 27.837 -26.201 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -20.528 28.077 -17.422 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -19.851 27.445 -17.662 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -20.206 28.479 -16.614 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -29.782 28.649 -19.578 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -30.502 29.089 -20.029 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -30.148 28.398 -18.729 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -27.315 28.249 -20.548 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -28.180 28.321 -20.144 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -27.370 28.796 -21.332 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -17.672 28.585 -20.132 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -17.854 29.501 -20.343 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -17.496 28.175 -20.979 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -31.116 26.496 -29.496 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -31.801 26.458 -30.164 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -31.113 27.409 -29.208 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -29.298 27.416 -32.471 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -29.566 27.703 -31.598 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -28.527 26.870 -32.319 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -19.501 9.947 -14.962 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -19.425 9.521 -14.108 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -18.608 9.961 -15.304 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -18.136 22.100 -5.662 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -18.577 21.380 -5.212 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -18.149 22.821 -5.032 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -31.230 19.048 -6.317 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -31.016 18.278 -5.790 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -30.492 19.137 -6.920 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -27.157 14.089 -5.958 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -27.114 14.949 -6.376 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -27.615 13.537 -6.591 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -19.435 14.220 -7.557 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -18.789 13.891 -6.932 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -18.925 14.738 -8.180 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -30.537 16.486 -5.196 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -29.883 15.936 -4.764 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -30.513 16.212 -6.112 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -25.381 18.036 -5.980 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -24.765 17.510 -5.471 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -25.967 17.396 -6.384 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -20.978 22.507 -8.340 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -21.274 22.185 -9.191 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -21.302 23.407 -8.298 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -17.671 13.511 -5.576 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -17.886 12.745 -5.044 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -17.015 13.983 -5.063 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -28.753 14.899 -3.931 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -28.140 15.532 -3.558 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -28.241 14.427 -4.588 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -31.249 22.318 -10.027 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -31.521 22.547 -10.916 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -31.204 23.156 -9.567 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -22.054 19.150 -9.931 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -22.766 19.685 -10.282 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -21.363 19.206 -10.591 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -18.648 19.360 -8.979 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -19.380 19.588 -8.406 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -18.201 18.646 -8.524 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -27.003 19.990 -7.096 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -27.333 19.620 -7.915 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -26.415 19.320 -6.750 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -19.777 18.522 -11.294 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -19.198 18.672 -10.547 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -19.363 18.993 -12.017 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -16.079 10.272 -11.481 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -16.978 10.411 -11.186 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -15.827 11.103 -11.883 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -28.013 19.060 -9.507 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -28.305 19.828 -9.998 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -28.687 18.400 -9.670 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -14.889 24.638 -13.104 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -14.816 25.577 -12.934 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -13.984 24.333 -13.161 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -31.920 21.423 -0.692 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -32.421 21.395 -1.507 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -31.914 20.517 -0.382 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -32.169 24.203 -3.808 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -31.223 24.059 -3.827 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -32.282 24.987 -3.271 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -22.579 28.215 -9.444 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -22.654 28.094 -10.390 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -22.546 29.165 -9.325 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -28.925 27.004 -7.663 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -28.773 26.656 -6.784 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -29.776 26.648 -7.918 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -19.477 27.369 -12.441 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -19.102 26.625 -12.912 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -19.473 27.099 -11.523 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -19.808 27.295 -9.692 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -20.743 27.395 -9.513 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -19.528 26.586 -9.114 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -19.063 14.694 0.575 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -19.577 14.568 1.372 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -19.218 15.606 0.330 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -22.727 13.431 -12.994 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -22.981 13.450 -12.071 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -22.984 12.559 -13.295 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -26.961 16.182 -2.558 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -27.603 16.141 -1.849 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -26.924 17.108 -2.796 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -26.964 16.403 -7.646 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -27.857 16.062 -7.705 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -26.513 16.026 -8.402 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -21.428 16.819 -8.829 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -21.837 17.634 -9.121 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -20.708 16.679 -9.444 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -29.211 16.502 -0.691 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -29.249 16.902 0.177 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -29.702 15.685 -0.601 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -25.845 13.876 -13.893 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -26.276 13.431 -13.163 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -26.563 14.248 -14.405 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -32.603 13.618 -6.841 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -31.972 13.589 -6.121 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -32.153 13.193 -7.571 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -31.328 14.364 -11.417 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -30.854 14.955 -12.002 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -32.046 14.895 -11.070 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -29.554 15.459 -7.733 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -30.443 15.559 -8.073 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -29.258 14.617 -8.079 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -25.901 15.459 -10.077 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -24.969 15.588 -9.899 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -26.116 16.129 -10.726 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -27.227 16.654 -12.510 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -27.769 16.274 -13.201 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -26.393 16.848 -12.939 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -24.436 15.006 -2.259 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -25.271 15.460 -2.149 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -23.912 15.282 -1.507 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -23.892 21.219 -10.574 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -24.636 20.712 -10.897 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -24.026 21.268 -9.628 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -19.994 14.033 -12.375 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -20.932 14.145 -12.526 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -19.697 14.890 -12.069 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -19.276 15.900 -10.714 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -18.384 15.763 -10.395 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -19.219 16.691 -11.251 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -21.766 22.678 -11.549 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -22.061 23.504 -11.167 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -22.469 22.058 -11.353 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -31.759 18.975 0.510 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -31.536 18.557 1.342 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -32.361 18.362 0.088 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -16.095 24.896 -10.555 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -16.468 24.070 -10.245 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -15.818 24.713 -11.452 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -26.392 24.032 -7.400 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -25.865 24.805 -7.601 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -27.272 24.257 -7.702 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -24.965 21.695 -7.824 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -25.206 22.620 -7.782 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -25.705 21.236 -7.428 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -26.281 26.717 -8.279 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -27.231 26.822 -8.227 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -25.930 27.537 -7.934 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -18.703 22.872 -12.734 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -18.350 22.492 -11.930 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -19.652 22.779 -12.648 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -14.199 27.352 -12.533 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -13.456 27.938 -12.673 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -14.894 27.920 -12.200 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -17.837 21.545 -10.508 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -18.114 20.817 -9.952 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -16.910 21.664 -10.302 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -30.474 25.533 -1.497 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -30.257 24.601 -1.528 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -30.227 25.807 -0.613 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -22.937 25.252 -11.082 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -23.754 25.749 -11.029 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -22.408 25.727 -11.722 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -25.599 26.295 -11.100 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -25.438 27.095 -11.601 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -25.796 26.602 -10.215 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -26.865 12.993 -11.484 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -26.948 13.882 -11.138 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -25.975 12.728 -11.253 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -30.552 24.807 -8.474 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -31.384 25.280 -8.447 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -30.006 25.317 -9.073 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -22.574 25.847 -14.149 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -23.218 25.216 -13.827 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -21.812 25.316 -14.381 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -17.970 25.664 -13.915 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -17.687 24.870 -13.462 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -17.230 25.897 -14.476 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -26.237 14.794 1.687 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -26.087 14.065 1.084 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -26.235 15.571 1.128 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -25.825 13.164 -0.821 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -25.289 13.615 -1.473 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -26.677 13.056 -1.243 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -23.755 14.942 3.174 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -23.991 14.722 4.076 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -24.538 14.735 2.665 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -21.039 14.069 2.250 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -21.987 14.101 2.382 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -20.727 13.444 2.904 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -19.405 12.703 4.255 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -19.502 11.751 4.249 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -19.727 12.972 5.116 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -29.578 13.913 3.303 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -29.367 13.206 2.692 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -29.690 13.475 4.147 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -24.444 11.597 4.336 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -24.575 11.121 3.515 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -25.043 12.341 4.280 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -24.897 28.480 -12.488 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -23.964 28.638 -12.344 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -25.161 29.155 -13.113 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -31.810 26.590 -6.123 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -32.144 25.709 -5.951 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -31.588 26.935 -5.259 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -14.946 21.013 -10.069 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -14.096 21.434 -9.941 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -14.941 20.273 -9.461 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -14.552 19.066 -8.245 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -15.278 18.587 -7.847 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -13.971 19.272 -7.513 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -14.284 18.967 -11.854 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -14.805 19.324 -12.573 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -14.317 19.642 -11.176 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -16.765 17.587 -7.682 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -16.915 16.642 -7.702 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -17.119 17.868 -6.838 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -31.730 19.665 -3.672 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -31.546 19.583 -4.607 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -30.881 19.541 -3.248 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -17.055 15.170 -9.220 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -16.775 14.263 -9.095 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -16.296 15.604 -9.609 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -16.443 15.751 -3.784 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -15.510 15.963 -3.818 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -16.678 15.853 -2.861 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -16.414 16.488 -1.008 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -17.257 16.756 -0.642 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -15.971 17.310 -1.219 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -32.132 14.936 2.469 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -31.213 14.814 2.705 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -32.582 14.186 2.858 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -16.441 12.433 -9.171 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -16.259 11.984 -8.346 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -17.041 11.848 -9.635 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -30.911 13.248 -4.640 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -30.466 12.456 -4.338 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -30.445 13.964 -4.209 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -32.607 16.247 -3.571 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -32.115 16.026 -4.361 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -32.245 17.088 -3.290 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -32.294 12.505 -9.516 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -33.219 12.714 -9.646 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -31.840 12.989 -10.206 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -29.782 28.649 -0.722 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -30.502 29.089 -1.173 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -30.148 28.398 0.127 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -30.367 27.272 -3.811 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -30.386 26.847 -2.954 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -29.562 26.954 -4.220 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -17.038 10.223 -5.051 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -16.434 10.771 -5.552 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -17.907 10.543 -5.291 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -15.311 11.362 -6.717 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -14.699 10.848 -7.244 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -14.928 12.240 -6.694 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -31.017 10.548 -11.538 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -30.578 11.159 -12.129 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -31.651 11.086 -11.064 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -18.364 10.733 -10.186 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -19.067 11.347 -10.396 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -18.809 9.895 -10.055 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -29.156 12.464 -13.095 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -28.665 11.834 -13.623 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -28.533 12.760 -12.432 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -22.252 27.706 -12.243 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -21.386 28.072 -12.421 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -22.499 27.266 -13.056 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -29.896 11.264 2.176 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -30.262 10.499 2.619 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -28.983 11.293 2.463 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -27.923 10.615 3.712 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -27.024 10.341 3.527 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -28.309 9.872 4.176 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -21.842 19.161 14.892 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -21.880 18.515 15.597 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -22.165 18.695 14.121 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -28.550 23.226 15.020 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -28.920 22.424 14.651 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -27.609 23.057 15.067 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -31.940 16.886 10.413 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -32.388 17.732 10.395 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -32.501 16.306 9.898 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -23.453 21.594 15.298 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -23.149 20.908 14.704 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -22.731 21.712 15.916 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -20.312 15.988 15.626 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -20.169 15.041 15.646 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -20.418 16.195 14.697 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -19.435 14.220 11.299 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -18.789 13.891 11.924 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -18.925 14.738 10.676 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -25.381 18.036 12.876 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -24.765 17.510 13.385 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -25.967 17.396 12.472 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -25.778 20.683 17.260 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -26.518 21.281 17.363 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -25.064 21.237 16.944 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -27.370 22.647 18.047 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -27.376 23.526 17.669 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -28.224 22.564 18.472 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -31.249 22.318 8.829 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -31.521 22.547 7.940 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -31.204 23.156 9.289 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -17.324 12.226 16.959 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -18.060 12.837 16.921 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -16.640 12.641 16.433 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -18.751 17.534 18.945 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -18.671 18.297 19.517 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -19.352 17.813 18.254 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -27.003 19.990 11.760 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -27.333 19.620 10.941 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -26.415 19.320 12.106 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -26.636 18.759 15.393 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -26.071 18.880 14.630 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -26.317 19.396 16.032 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -25.756 23.158 20.110 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -26.068 23.940 20.566 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -26.406 23.005 19.424 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -27.517 25.230 20.874 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -27.509 25.094 19.926 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -28.433 25.112 21.126 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -16.079 10.272 7.375 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -16.978 10.411 7.670 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -15.827 11.103 6.973 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -28.013 19.060 9.349 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -28.305 19.828 8.858 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -28.687 18.400 9.186 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -32.169 24.203 15.048 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -31.223 24.059 15.029 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -32.282 24.987 15.585 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -22.993 24.443 19.606 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -22.906 25.269 20.081 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -23.857 24.113 19.855 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -16.820 16.362 21.210 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -17.227 16.843 20.490 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -16.779 15.457 20.903 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -29.671 22.746 19.207 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -29.454 22.385 20.067 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -30.526 22.372 18.997 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -19.063 14.694 19.431 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -19.577 14.568 20.228 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -19.218 15.606 19.186 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -22.727 13.431 5.862 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -22.981 13.450 6.785 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -22.984 12.559 5.561 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -26.964 16.403 11.210 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -27.857 16.062 11.151 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -26.513 16.026 10.454 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -20.424 16.265 12.841 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -20.619 16.870 12.126 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -20.242 15.431 12.406 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -25.845 13.876 4.963 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -26.276 13.431 5.693 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -26.563 14.248 4.451 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -31.328 14.364 7.439 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -30.854 14.955 6.854 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -32.046 14.895 7.786 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -21.160 17.903 17.512 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -20.836 17.272 16.869 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -21.600 17.368 18.173 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -24.382 13.830 12.296 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -25.293 13.887 12.585 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -23.877 13.770 13.107 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -29.554 15.459 11.123 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -30.443 15.559 10.783 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -29.258 14.617 10.777 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -25.901 15.459 8.779 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -24.969 15.588 8.957 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -26.116 16.129 8.130 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -19.977 13.065 15.560 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -20.654 13.196 16.224 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -20.463 12.910 14.750 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -16.690 28.737 21.837 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -16.490 29.161 21.002 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -16.034 29.080 22.444 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -23.062 16.618 14.183 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -22.498 16.071 13.636 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -23.210 16.096 14.972 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -22.372 21.403 19.519 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -22.718 21.022 20.325 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -22.572 22.337 19.590 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -28.767 20.514 14.051 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -28.022 20.512 13.450 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -28.689 19.690 14.533 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -24.965 21.695 11.032 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -25.206 22.620 11.074 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -25.705 21.236 11.428 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -18.247 26.495 19.517 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -18.849 25.940 19.022 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -17.966 27.162 18.891 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -30.474 25.533 17.359 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -30.257 24.601 17.328 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -30.227 25.807 18.243 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -20.606 13.121 8.911 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -20.386 13.593 8.108 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -20.048 13.516 9.582 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -23.406 14.849 9.746 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -22.594 15.353 9.792 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -23.651 14.704 10.660 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -22.522 11.930 10.684 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -22.869 12.548 11.329 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -21.864 12.431 10.203 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -26.865 12.993 7.372 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -26.948 13.882 7.718 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -25.975 12.728 7.603 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -16.666 13.742 19.766 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -17.582 14.005 19.678 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -16.330 13.739 18.869 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -18.064 17.493 13.862 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -18.861 17.078 13.533 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -17.619 16.802 14.353 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -30.290 16.085 5.548 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -30.335 17.024 5.727 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -31.178 15.849 5.278 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -30.552 24.807 10.382 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -31.384 25.280 10.409 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -30.006 25.317 9.783 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -31.263 27.420 21.712 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -30.723 27.203 22.471 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -31.744 26.614 21.522 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -26.666 26.339 23.332 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -25.898 25.880 23.673 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -26.687 26.113 22.402 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -20.089 24.719 22.061 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -20.440 23.863 22.304 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -19.363 24.862 22.668 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -21.557 19.910 22.738 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -20.604 19.994 22.710 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -21.717 19.199 23.357 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -18.511 19.207 21.381 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -18.792 19.916 20.803 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -17.568 19.134 21.230 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -32.680 28.509 10.928 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -33.327 28.047 10.395 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -32.325 27.837 11.511 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -31.810 26.590 12.733 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -32.144 25.709 12.905 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -31.588 26.935 13.597 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -16.247 22.756 23.273 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -17.113 22.651 23.667 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -15.871 23.515 23.720 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -14.412 17.460 21.497 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -15.275 17.081 21.332 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -13.808 16.721 21.423 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -16.443 15.751 15.072 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -15.510 15.963 15.038 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -16.678 15.853 15.995 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -14.131 10.468 23.202 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -13.781 9.814 22.596 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -13.984 11.305 22.762 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -14.611 12.577 21.551 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -15.528 12.848 21.515 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -14.488 12.042 20.767 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -14.575 12.500 6.213 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -14.162 11.779 5.737 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -13.893 13.170 6.271 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -30.138 24.418 21.828 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -30.959 24.593 21.368 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -30.390 24.345 22.749 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -22.873 26.792 21.046 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -22.688 26.458 21.924 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -22.026 27.101 20.724 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -20.528 28.077 20.290 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -19.851 27.445 20.050 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -20.206 28.479 21.098 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -15.610 10.667 19.370 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -16.423 10.992 18.982 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -15.377 9.907 18.837 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -29.782 28.649 18.134 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -30.502 29.089 17.683 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -30.148 28.398 18.983 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -30.367 27.272 15.045 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -30.386 26.847 15.902 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -29.562 26.954 14.636 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -22.180 12.116 13.693 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -22.855 11.487 13.948 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -21.616 11.632 13.090 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -17.038 10.223 13.805 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -16.434 10.771 13.304 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -17.907 10.543 13.565 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -19.717 10.707 12.977 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -19.641 10.802 12.028 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -19.993 9.799 13.106 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -18.364 10.733 8.670 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -19.067 11.347 8.460 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -18.809 9.895 8.801 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -29.156 12.464 5.761 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -28.665 11.834 5.233 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -28.533 12.760 6.424 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -24.130 12.757 8.218 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -23.952 12.111 8.901 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -24.184 13.591 8.685 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -16.325 26.020 21.443 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -17.107 25.834 20.923 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -16.397 26.949 21.660 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -14.889 24.638 24.608 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -14.816 25.577 24.778 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -13.984 24.333 24.551 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -18.300 19.555 24.048 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -18.258 19.332 23.118 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -17.451 19.953 24.238 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -18.703 22.872 24.978 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -18.350 22.492 25.782 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -19.652 22.779 25.064 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -14.199 27.352 25.179 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -13.456 27.938 25.039 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -14.894 27.920 25.512 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -24.612 23.984 23.425 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -24.373 23.236 22.877 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -24.881 23.596 24.257 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -22.574 25.847 23.563 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -23.218 25.216 23.885 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -21.812 25.316 23.331 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -17.970 25.664 23.797 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -17.687 24.870 24.250 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -17.230 25.897 23.236 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -21.663 22.621 23.390 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -21.931 22.801 24.291 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -21.869 21.695 23.259 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -15.405 20.144 23.668 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -15.678 19.719 22.855 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -15.365 21.075 23.451 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -15.935 16.207 24.409 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -15.838 16.874 23.729 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -16.075 15.391 23.927 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -29.474 37.632 -40.083 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -29.432 37.006 -39.359 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -28.771 38.255 -39.901 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -28.347 31.863 -39.596 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -28.566 32.393 -40.362 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -29.015 32.090 -38.948 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -28.753 33.755 -41.643 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -28.140 34.388 -41.270 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -28.241 33.283 -42.300 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -28.836 38.212 -37.229 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -28.766 38.863 -36.531 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -29.727 38.315 -37.564 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -31.920 40.279 -38.404 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -32.421 40.251 -39.219 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -31.914 39.373 -38.094 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -29.671 41.602 -37.361 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -29.454 41.241 -36.501 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -30.526 41.228 -37.571 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -26.961 35.038 -40.270 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -27.603 34.997 -39.561 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -26.924 35.964 -40.508 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -29.211 35.358 -38.403 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -29.249 35.758 -37.535 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -29.702 34.541 -38.313 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -32.603 32.474 -44.553 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -31.972 32.445 -43.833 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -32.153 32.049 -45.283 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -29.092 40.067 -35.123 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -28.359 40.321 -34.562 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -29.872 40.271 -34.608 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -31.759 37.831 -37.202 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -31.536 37.413 -36.370 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -32.361 37.218 -37.624 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -24.742 37.348 -34.989 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -25.038 37.182 -35.884 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -23.811 37.128 -34.999 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -30.125 32.584 -37.644 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -31.018 32.923 -37.711 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -30.224 31.729 -37.226 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -31.356 40.086 -33.902 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -31.212 39.184 -34.188 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -32.129 40.372 -34.390 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -26.577 36.295 -37.108 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -27.195 36.970 -36.827 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -26.233 36.616 -37.941 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -26.237 33.650 -36.025 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -26.087 32.921 -36.628 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -26.235 34.427 -36.584 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -27.759 34.848 -34.114 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -28.526 34.316 -34.324 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -27.080 34.538 -34.713 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -31.730 38.521 -41.384 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -31.546 38.439 -42.319 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -30.881 38.397 -40.960 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -30.911 32.104 -42.352 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -30.466 31.312 -42.050 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -30.445 32.820 -41.921 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -32.607 35.103 -41.283 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -32.115 34.882 -42.073 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -32.245 35.944 -41.002 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -32.330 30.099 -38.884 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -32.995 29.853 -38.241 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -32.773 30.721 -39.461 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -30.138 43.274 -34.740 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -30.959 43.449 -35.200 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -30.390 43.201 -33.819 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -29.896 30.120 -35.536 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -30.262 29.355 -35.093 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -28.983 30.149 -35.249 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -27.923 29.471 -34.000 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -27.024 29.197 -34.185 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -28.309 28.728 -33.536 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -14.790 32.051 -21.553 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -14.741 32.661 -20.817 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -14.364 32.512 -22.276 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -19.435 33.076 -26.413 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -18.789 32.747 -25.788 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -18.925 33.594 -27.036 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -14.398 33.529 -19.317 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -15.087 34.187 -19.412 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -14.383 33.332 -18.380 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -28.347 31.863 -20.740 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -28.566 32.393 -21.506 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -29.015 32.090 -20.092 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -17.671 32.367 -24.432 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -17.886 31.601 -23.900 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -17.015 32.839 -23.919 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -17.324 31.082 -20.753 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -18.060 31.693 -20.791 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -16.640 31.497 -21.279 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -24.321 29.169 -23.287 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -24.438 28.220 -23.341 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -25.176 29.501 -23.014 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -16.527 41.044 -18.559 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -16.387 40.453 -19.298 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -16.359 41.917 -18.915 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -22.054 38.006 -28.787 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -22.766 38.541 -29.138 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -21.363 38.062 -29.447 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -14.685 37.384 -20.493 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -15.337 38.079 -20.404 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -14.220 37.594 -21.303 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -18.648 38.216 -27.835 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -19.380 38.444 -27.262 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -18.201 37.502 -27.380 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -19.777 37.378 -30.150 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -19.198 37.528 -29.403 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -19.363 37.849 -30.873 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -13.972 43.725 -16.982 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -14.021 42.770 -17.019 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -14.798 43.993 -16.580 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -22.579 47.071 -28.300 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -22.654 46.950 -29.246 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -22.546 48.021 -28.181 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -28.925 45.860 -26.519 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -28.773 45.512 -25.640 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -29.776 45.504 -26.774 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -19.808 46.151 -28.548 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -20.743 46.251 -28.369 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -19.528 45.442 -27.970 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -16.820 35.218 -16.502 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -17.227 35.699 -17.222 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -16.779 34.313 -16.809 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -27.052 30.072 -22.509 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -27.913 29.985 -22.917 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -27.074 30.928 -22.082 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -22.389 29.794 -19.135 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -21.969 29.379 -18.382 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -23.322 29.616 -19.018 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -21.428 35.675 -27.685 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -21.837 36.490 -27.977 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -20.708 35.535 -28.300 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -20.424 35.121 -24.871 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -20.619 35.726 -25.586 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -20.242 34.287 -25.306 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -25.845 32.732 -32.749 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -26.276 32.287 -32.019 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -26.563 33.104 -33.261 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -31.328 33.220 -30.273 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -30.854 33.811 -30.858 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -32.046 33.751 -29.926 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -25.901 34.315 -28.933 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -24.969 34.444 -28.755 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -26.116 34.985 -29.582 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -19.977 31.921 -22.152 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -20.654 32.052 -21.488 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -20.463 31.766 -22.962 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -27.227 35.510 -31.366 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -27.769 35.130 -32.057 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -26.393 35.704 -31.795 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -16.690 47.593 -15.875 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -16.490 48.017 -16.710 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -16.034 47.936 -15.268 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -28.060 31.610 -27.111 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -28.377 30.708 -27.146 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -27.279 31.612 -27.663 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -23.892 40.075 -29.430 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -24.636 39.568 -29.753 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -24.026 40.124 -28.484 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -16.742 39.208 -20.644 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -16.100 39.665 -21.187 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -17.572 39.321 -21.106 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -19.276 34.756 -29.570 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -18.384 34.619 -29.251 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -19.219 35.547 -30.107 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -21.766 41.534 -30.405 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -22.061 42.360 -30.023 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -22.469 40.914 -30.209 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -14.427 40.766 -17.039 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -15.279 41.004 -17.406 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -13.837 40.749 -17.792 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -16.095 43.752 -29.411 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -16.468 42.926 -29.101 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -15.818 43.569 -30.308 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -26.392 42.888 -26.256 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -25.865 43.661 -26.457 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -27.272 43.113 -26.558 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -24.965 40.551 -26.680 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -25.206 41.476 -26.638 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -25.705 40.092 -26.284 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -26.281 45.573 -27.135 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -27.231 45.678 -27.083 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -25.930 46.393 -26.790 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -18.703 41.728 -31.590 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -18.350 41.348 -30.786 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -19.652 41.635 -31.504 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -18.247 45.351 -18.195 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -18.849 44.796 -18.690 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -17.966 46.018 -18.821 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -30.125 32.584 -18.788 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -31.018 32.923 -18.855 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -30.224 31.729 -18.370 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -17.837 40.401 -29.364 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -18.114 39.673 -28.808 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -16.910 40.520 -29.158 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -25.675 42.410 -30.687 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -25.528 41.890 -29.897 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -25.678 43.317 -30.381 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -20.606 31.977 -28.801 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -20.386 32.449 -29.604 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -20.048 32.372 -28.130 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -22.937 44.108 -29.938 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -23.754 44.605 -29.885 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -22.408 44.583 -30.578 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -23.406 33.705 -27.966 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -22.594 34.209 -27.920 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -23.651 33.560 -27.052 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -22.522 30.786 -27.028 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -22.869 31.404 -26.383 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -21.864 31.287 -27.509 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -25.599 45.151 -29.956 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -25.438 45.951 -30.457 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -25.796 45.458 -29.071 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -26.865 31.849 -30.340 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -26.948 32.738 -29.994 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -25.975 31.584 -30.109 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -16.666 32.598 -17.946 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -17.582 32.861 -18.034 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -16.330 32.595 -18.843 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -18.064 36.349 -23.850 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -18.861 35.934 -24.179 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -17.619 35.658 -23.359 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -28.606 42.277 -31.280 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -28.014 42.976 -31.004 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -28.147 41.844 -31.999 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -16.977 45.605 -22.228 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -17.133 46.283 -22.885 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -16.045 45.677 -22.025 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -29.482 29.723 -23.491 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -29.711 29.782 -24.418 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -29.925 28.931 -23.184 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -26.666 45.195 -14.380 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -25.898 44.736 -14.039 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -26.687 44.969 -15.310 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -31.356 40.086 -15.046 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -31.212 39.184 -15.332 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -32.129 40.372 -15.534 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -27.015 40.430 -32.914 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -26.951 39.636 -32.383 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -26.362 40.311 -33.603 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -30.524 37.286 -15.626 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -30.116 36.429 -15.747 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -30.784 37.301 -14.705 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -25.866 38.402 -30.608 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -26.325 37.918 -29.922 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -25.611 37.734 -31.244 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -26.577 36.295 -18.252 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -27.195 36.970 -17.971 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -26.233 36.616 -19.085 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -24.795 36.645 -32.345 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -24.975 36.491 -33.273 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -23.844 36.753 -32.301 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -26.237 33.650 -17.169 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -26.087 32.921 -17.772 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -26.235 34.427 -17.728 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -25.825 32.020 -19.677 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -25.289 32.471 -20.329 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -26.677 31.912 -20.099 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -27.759 34.848 -15.258 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -28.526 34.316 -15.468 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -27.080 34.538 -15.857 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -25.019 29.476 -19.245 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -25.117 30.423 -19.351 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -25.762 29.104 -19.721 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -23.755 33.798 -15.682 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -23.991 33.578 -14.780 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -24.538 33.591 -16.191 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -29.578 32.769 -15.553 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -29.367 32.062 -16.164 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -29.690 32.331 -14.709 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -24.444 30.453 -14.520 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -24.575 29.977 -15.341 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -25.043 31.197 -14.576 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -31.329 41.972 -31.861 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -30.415 42.051 -31.588 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -31.322 41.285 -32.528 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -32.680 47.365 -26.784 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -33.327 46.903 -27.317 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -32.325 46.693 -26.201 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -14.261 46.255 -21.999 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -14.283 46.440 -21.060 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -13.571 46.824 -22.340 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -14.698 45.822 -19.077 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -15.185 45.087 -19.448 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -14.149 45.429 -18.399 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -16.247 41.612 -14.439 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -17.113 41.507 -14.045 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -15.871 42.371 -13.992 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -14.946 39.869 -28.925 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -14.096 40.290 -28.797 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -14.941 39.129 -28.317 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -14.552 37.922 -27.101 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -15.278 37.443 -26.703 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -13.971 38.128 -26.369 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -14.793 40.707 -22.153 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -13.959 40.329 -22.434 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -14.681 41.650 -22.272 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -16.306 43.585 -19.846 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -16.954 43.910 -19.221 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -16.824 43.145 -20.521 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -16.765 36.443 -26.538 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -16.915 35.498 -26.558 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -17.119 36.724 -25.694 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -15.909 38.413 -16.899 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -15.326 37.679 -16.708 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -15.345 39.185 -16.853 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -14.412 36.316 -16.215 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -15.275 35.937 -16.380 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -13.808 35.577 -16.289 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -16.443 34.607 -22.640 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -15.510 34.819 -22.674 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -16.678 34.709 -21.717 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -16.414 35.344 -19.864 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -17.257 35.612 -19.498 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -15.971 36.166 -20.075 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -32.132 33.792 -16.387 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -31.213 33.670 -16.151 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -32.582 33.042 -15.998 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -30.911 32.104 -23.496 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -30.466 31.312 -23.194 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -30.445 32.820 -23.065 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -14.611 31.433 -16.161 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -15.528 31.704 -16.197 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -14.488 30.898 -16.945 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -32.294 31.361 -28.372 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -33.219 31.570 -28.502 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -31.840 31.845 -29.062 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -17.523 46.345 -26.427 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -16.870 45.998 -27.035 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -17.012 46.834 -25.781 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -32.330 30.099 -20.028 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -32.995 29.853 -19.385 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -32.773 30.721 -20.605 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -22.873 45.648 -16.666 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -22.688 45.314 -15.788 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -22.026 45.957 -16.988 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -20.528 46.933 -17.422 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -19.851 46.301 -17.662 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -20.206 47.335 -16.614 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -15.610 29.523 -18.342 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -16.423 29.848 -18.730 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -15.377 28.763 -18.875 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -27.315 47.105 -20.548 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -28.180 47.177 -20.144 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -27.370 47.652 -21.332 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -22.604 46.993 -21.372 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -23.061 47.522 -22.026 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -22.441 47.596 -20.647 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -17.672 47.441 -20.132 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -17.854 48.357 -20.343 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -17.496 47.031 -20.979 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -25.689 45.308 -23.164 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -25.476 44.420 -23.451 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -25.624 45.274 -22.209 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -22.180 30.972 -24.019 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -22.855 30.343 -23.764 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -21.616 30.488 -24.622 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -29.854 29.606 -26.197 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -30.631 29.372 -26.705 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -29.323 28.809 -26.189 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -31.017 29.404 -30.394 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -30.578 30.015 -30.985 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -31.651 29.942 -29.920 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -25.274 29.533 -26.384 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -24.400 29.921 -26.414 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -25.410 29.318 -25.461 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -31.116 45.352 -29.496 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -31.801 45.314 -30.164 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -31.113 46.265 -29.208 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -29.156 31.320 -31.951 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -28.665 30.690 -32.479 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -28.533 31.616 -31.288 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -24.130 31.613 -29.494 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -23.952 30.967 -28.811 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -24.184 32.447 -29.027 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -15.543 46.125 -28.419 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -15.737 45.377 -28.984 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -15.582 46.883 -29.003 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -19.501 28.803 -14.962 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -19.425 28.377 -14.108 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -18.608 28.817 -15.304 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -16.325 44.876 -16.269 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -17.107 44.690 -16.789 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -16.397 45.805 -16.052 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -29.474 37.632 -2.371 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -29.432 37.006 -1.647 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -28.771 38.255 -2.189 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -28.550 42.082 -3.836 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -28.920 41.280 -4.205 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -27.609 41.913 -3.789 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -27.157 32.945 -5.958 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -27.114 33.805 -6.376 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -27.615 32.393 -6.591 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -30.537 35.342 -5.196 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -29.883 34.792 -4.764 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -30.513 35.068 -6.112 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -28.347 31.863 -1.884 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -28.566 32.393 -2.650 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -29.015 32.090 -1.236 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -28.753 33.755 -3.931 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -28.140 34.388 -3.558 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -28.241 33.283 -4.588 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -27.370 41.503 -0.809 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -27.376 42.382 -1.187 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -28.224 41.420 -0.384 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -31.249 41.174 -10.027 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -31.521 41.403 -10.916 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -31.204 42.012 -9.567 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -17.624 42.796 -3.314 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -18.566 42.854 -3.153 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -17.348 43.702 -3.451 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -24.321 29.169 -4.431 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -24.438 28.220 -4.485 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -25.176 29.501 -4.158 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -16.527 41.044 0.297 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -16.387 40.453 -0.442 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -16.359 41.917 -0.059 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -25.756 42.014 1.254 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -26.068 42.796 1.710 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -26.406 41.861 0.568 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -28.836 38.212 0.483 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -28.766 38.863 1.181 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -29.727 38.315 0.148 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -28.013 37.916 -9.507 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -28.305 38.684 -9.998 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -28.687 37.256 -9.670 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -14.889 43.494 -13.104 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -14.816 44.433 -12.934 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -13.984 43.189 -13.161 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -13.972 43.725 1.874 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -14.021 42.770 1.837 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -14.798 43.993 2.276 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -22.993 43.299 0.750 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -22.906 44.125 1.225 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -23.857 42.969 0.999 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -28.925 45.860 -7.663 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -28.773 45.512 -6.784 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -29.776 45.504 -7.918 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -29.671 41.602 0.351 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -29.454 41.241 1.211 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -30.526 41.228 0.141 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -27.052 30.072 -3.653 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -27.913 29.985 -4.061 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -27.074 30.928 -3.226 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -22.727 32.287 -12.994 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -22.981 32.306 -12.071 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -22.984 31.415 -13.295 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -26.964 35.259 -7.646 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -27.857 34.918 -7.705 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -26.513 34.882 -8.402 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -22.326 35.850 2.659 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -22.889 35.146 2.979 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -21.500 35.730 3.126 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -29.211 35.358 -0.691 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -29.249 35.758 0.177 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -29.702 34.541 -0.601 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -25.845 32.732 -13.893 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -26.276 32.287 -13.163 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -26.563 33.104 -14.405 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -29.554 34.315 -7.733 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -30.443 34.415 -8.073 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -29.258 33.473 -8.079 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -29.092 40.067 2.589 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -28.359 40.321 3.150 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -29.872 40.271 3.104 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -28.060 31.610 -8.255 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -28.377 30.708 -8.290 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -27.279 31.612 -8.807 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -22.372 40.259 0.663 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -22.718 39.878 1.469 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -22.572 41.193 0.734 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -28.767 39.370 -4.805 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -28.022 39.368 -5.406 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -28.689 38.546 -4.323 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -24.742 37.348 2.723 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -25.038 37.182 1.828 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -23.811 37.128 2.713 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -20.122 42.721 0.613 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -21.023 42.904 0.345 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -20.088 42.980 1.534 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -30.637 37.750 -12.813 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -30.021 38.377 -12.434 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -31.499 38.066 -12.542 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -24.450 44.700 -1.509 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -24.087 45.555 -1.742 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -23.918 44.408 -0.768 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -26.281 45.573 -8.279 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -27.231 45.678 -8.227 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -25.930 46.393 -7.934 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -20.906 40.799 -1.808 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -21.332 40.572 -0.982 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -20.325 40.061 -1.991 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -14.199 46.208 -12.533 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -13.456 46.794 -12.673 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -14.894 46.776 -12.200 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -30.125 32.584 0.068 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -31.018 32.923 0.001 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -30.224 31.729 0.486 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -29.222 39.663 -11.321 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -29.908 40.015 -10.754 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -28.699 40.426 -11.567 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -22.522 30.786 -8.172 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -22.869 31.404 -7.527 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -21.864 31.287 -8.653 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -26.865 31.849 -11.484 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -26.948 32.738 -11.138 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -25.975 31.584 -11.253 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -28.606 42.277 -12.424 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -28.014 42.976 -12.148 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -28.147 41.844 -13.143 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -30.290 34.941 -13.308 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -30.335 35.880 -13.129 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -31.178 34.705 -13.578 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -16.977 45.605 -3.372 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -17.133 46.283 -4.029 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -16.045 45.677 -3.169 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -29.482 29.723 -4.635 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -29.711 29.782 -5.562 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -29.925 28.931 -4.328 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -30.552 43.663 -8.474 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -31.384 44.136 -8.447 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -30.006 44.173 -9.073 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -20.089 43.575 3.205 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -20.440 42.719 3.448 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -19.363 43.718 3.812 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -24.701 40.056 3.243 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -25.029 40.327 2.385 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -24.549 39.115 3.155 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -18.966 39.972 0.626 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -18.221 40.560 0.506 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -19.723 40.554 0.689 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -26.577 36.295 0.604 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -27.195 36.970 0.885 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -26.233 36.616 -0.229 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -21.557 38.766 3.882 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -20.604 38.850 3.854 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -21.717 38.055 4.501 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -26.237 33.650 1.687 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -26.087 32.921 1.084 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -26.235 34.427 1.128 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -25.825 32.020 -0.821 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -25.289 32.471 -1.473 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -26.677 31.912 -1.243 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -27.759 34.848 3.598 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -28.526 34.316 3.388 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -27.080 34.538 2.999 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -23.755 33.798 3.174 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -23.991 33.578 4.076 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -24.538 33.591 2.665 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -21.039 32.925 2.250 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -21.987 32.957 2.382 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -20.727 32.300 2.904 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -29.578 32.769 3.303 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -29.367 32.062 2.692 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -29.690 32.331 4.147 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -24.897 47.336 -12.488 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -23.964 47.494 -12.344 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -25.161 48.011 -13.113 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -31.329 41.972 -13.005 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -30.415 42.051 -12.732 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -31.322 41.285 -13.672 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -14.261 46.255 -3.143 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -14.283 46.440 -2.204 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -13.571 46.824 -3.484 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -14.946 39.869 -10.069 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -14.096 40.290 -9.941 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -14.941 39.129 -9.461 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -16.306 43.585 -0.990 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -16.954 43.910 -0.365 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -16.824 43.145 -1.665 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -17.523 46.345 -7.571 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -16.870 45.998 -8.179 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -17.012 46.834 -6.925 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -32.330 30.099 -1.172 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -32.995 29.853 -0.529 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -32.773 30.721 -1.749 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -27.184 44.249 -0.769 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -27.609 45.058 -1.052 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -26.279 44.334 -1.071 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -27.315 47.105 -1.692 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -28.180 47.177 -1.288 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -27.370 47.652 -2.476 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -22.604 46.993 -2.516 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -23.061 47.522 -3.170 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -22.441 47.596 -1.791 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -20.277 45.871 -1.571 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -21.181 46.036 -1.837 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -19.848 46.724 -1.637 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -28.226 44.838 -5.156 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -28.445 43.922 -4.987 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -27.402 44.978 -4.690 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -25.689 45.308 -4.308 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -25.476 44.420 -4.595 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -25.624 45.274 -3.353 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -25.274 29.533 -7.528 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -24.400 29.921 -7.558 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -25.410 29.318 -6.605 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -31.116 45.352 -10.640 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -31.801 45.314 -11.308 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -31.113 46.265 -10.352 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -24.130 31.613 -10.638 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -23.952 30.967 -9.955 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -24.184 32.447 -10.171 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -15.543 46.125 -9.563 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -15.737 45.377 -10.128 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -15.582 46.883 -10.147 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -29.896 30.120 2.176 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -30.262 29.355 2.619 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -28.983 30.149 2.463 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -29.298 46.272 -13.615 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -29.566 46.559 -12.742 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -28.527 45.726 -13.463 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -16.325 44.876 2.587 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -17.107 44.690 2.067 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -16.397 45.805 2.804 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -20.775 38.762 11.473 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -20.686 39.706 11.341 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -21.414 38.487 10.815 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -21.842 38.017 14.892 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -21.880 37.371 15.597 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -22.165 37.551 14.121 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -18.136 40.956 13.194 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -18.577 40.236 13.644 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -18.149 41.677 13.824 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -14.790 32.051 16.159 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -14.741 32.661 16.895 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -14.364 32.512 15.436 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -27.157 32.945 12.898 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -27.114 33.805 12.480 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -27.615 32.393 12.265 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -25.381 36.892 12.876 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -24.765 36.366 13.385 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -25.967 36.252 12.472 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -14.398 33.529 18.395 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -15.087 34.187 18.300 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -14.383 33.332 19.332 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -28.347 31.863 16.972 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -28.566 32.393 16.206 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -29.015 32.090 17.620 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -20.978 41.363 10.516 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -21.274 41.041 9.665 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -21.302 42.263 10.558 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -28.753 33.755 14.925 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -28.140 34.388 15.298 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -28.241 33.283 14.268 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -18.213 42.478 10.676 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -18.470 41.788 10.064 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -18.142 42.035 11.521 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -22.054 38.006 8.925 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -22.766 38.541 8.574 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -21.363 38.062 8.265 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -22.000 36.464 5.964 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -21.299 36.486 6.615 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -21.698 35.836 5.308 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -14.685 37.384 17.219 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -15.337 38.079 17.308 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -14.220 37.594 16.409 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -18.648 38.216 9.877 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -19.380 38.444 10.450 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -18.201 37.502 10.332 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -18.751 36.390 18.945 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -18.671 37.153 19.517 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -19.352 36.669 18.254 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -26.636 37.615 15.393 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -26.071 37.736 14.630 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -26.317 38.252 16.032 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -19.777 37.378 7.562 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -19.198 37.528 8.309 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -19.363 37.849 6.839 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -14.889 43.494 5.752 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -14.816 44.433 5.922 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -13.984 43.189 5.695 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -16.820 35.218 21.210 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -17.227 35.699 20.490 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -16.779 34.313 20.903 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -19.063 33.550 19.431 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -19.577 33.424 20.228 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -19.218 34.462 19.186 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -22.727 32.287 5.862 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -22.981 32.306 6.785 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -22.984 31.415 5.561 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -26.961 35.038 16.298 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -27.603 34.997 17.007 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -26.924 35.964 16.060 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -26.964 35.259 11.210 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -27.857 34.918 11.151 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -26.513 34.882 10.454 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -21.428 35.675 10.027 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -21.837 36.490 9.735 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -20.708 35.535 9.412 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -22.326 35.850 21.515 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -22.889 35.146 21.835 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -21.500 35.730 21.982 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -25.845 32.732 4.963 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -26.276 32.287 5.693 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -26.563 33.104 4.451 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -32.603 32.474 12.015 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -31.972 32.445 12.735 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -32.153 32.049 11.285 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -31.328 33.220 7.439 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -30.854 33.811 6.854 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -32.046 33.751 7.786 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -21.160 36.759 17.512 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -20.836 36.128 16.869 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -21.600 36.224 18.173 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -24.382 32.686 12.296 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -25.293 32.743 12.585 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -23.877 32.626 13.107 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -29.554 34.315 11.123 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -30.443 34.415 10.783 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -29.258 33.473 10.777 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -25.901 34.315 8.779 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -24.969 34.444 8.957 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -26.116 34.985 8.130 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -27.227 35.510 6.346 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -27.769 35.130 5.655 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -26.393 35.704 5.917 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -16.742 39.208 17.068 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -16.100 39.665 16.525 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -17.572 39.321 16.606 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -21.766 41.534 7.307 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -22.061 42.360 7.689 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -22.469 40.914 7.503 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -24.742 37.348 21.579 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -25.038 37.182 20.684 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -23.811 37.128 21.569 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -16.095 43.752 8.301 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -16.468 42.926 8.611 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -15.818 43.569 7.404 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -18.935 38.560 15.323 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -19.863 38.328 15.296 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -18.484 37.783 14.993 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -18.703 41.728 6.122 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -18.350 41.348 6.926 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -19.652 41.635 6.208 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -14.199 46.208 6.323 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -13.456 46.794 6.183 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -14.894 46.776 6.656 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -30.125 32.584 18.924 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -31.018 32.923 18.857 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -30.224 31.729 19.342 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -23.406 33.705 9.746 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -22.594 34.209 9.792 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -23.651 33.560 10.660 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -26.865 31.849 7.372 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -26.948 32.738 7.718 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -25.975 31.584 7.603 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -16.666 32.598 19.766 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -17.582 32.861 19.678 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -16.330 32.595 18.869 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -18.064 36.349 13.862 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -18.861 35.934 13.533 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -17.619 35.658 14.353 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -29.482 29.723 14.221 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -29.711 29.782 13.294 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -29.925 28.931 14.528 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -17.970 44.520 4.941 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -17.687 43.726 5.394 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -17.230 44.753 4.380 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -21.663 41.477 4.534 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -21.931 41.657 5.435 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -21.869 40.551 4.403 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -26.577 36.295 19.460 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -27.195 36.970 19.741 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -26.233 36.616 18.627 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -24.795 36.645 5.367 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -24.975 36.491 4.439 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -23.844 36.753 5.411 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -26.237 33.650 20.543 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -26.087 32.921 19.940 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -26.235 34.427 19.984 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -24.243 37.459 18.275 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -23.492 37.303 17.702 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -24.582 38.311 17.999 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -23.755 33.798 22.030 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -23.991 33.578 22.932 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -24.538 33.591 21.521 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -21.039 32.925 21.106 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -21.987 32.957 21.238 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -20.727 32.300 21.760 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -19.405 31.559 23.111 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -19.502 30.607 23.105 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -19.727 31.828 23.972 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -24.797 28.770 21.138 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -24.085 28.130 21.124 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -24.898 29.037 20.224 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -24.444 30.453 23.192 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -24.575 29.977 22.371 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -25.043 31.197 23.136 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -14.552 37.922 10.611 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -15.278 37.443 11.009 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -13.971 38.128 11.343 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -16.414 35.344 17.848 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -17.257 35.612 18.214 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -15.971 36.166 17.637 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -14.131 29.324 23.202 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -13.781 28.670 22.596 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -13.984 30.161 22.762 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -30.911 32.104 14.216 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -30.466 31.312 14.518 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -30.445 32.820 14.647 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -32.294 31.361 9.340 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -33.219 31.570 9.210 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -31.840 31.845 8.650 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -32.330 30.099 17.684 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -32.995 29.853 18.327 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -32.773 30.721 17.107 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -15.610 29.523 19.370 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -16.423 29.848 18.982 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -15.377 28.763 18.837 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -31.017 29.404 7.318 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -30.578 30.015 6.727 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -31.651 29.942 7.792 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -29.156 31.320 5.761 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -28.665 30.690 5.233 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -28.533 31.616 6.424 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -24.130 31.613 8.218 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -23.952 30.967 8.901 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -24.184 32.447 8.685 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -29.896 30.120 21.032 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -30.262 29.355 21.475 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -28.983 30.149 21.319 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -27.923 29.471 22.568 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -27.024 29.197 22.383 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -28.309 28.728 23.032 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -19.501 28.803 22.750 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -19.425 28.377 23.604 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -18.608 28.817 22.408 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -28.347 50.719 -20.740 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -28.566 51.249 -21.506 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -29.015 50.946 -20.092 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -24.321 48.025 -23.287 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -24.438 47.076 -23.341 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -25.176 48.357 -23.014 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -27.052 48.928 -22.509 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -27.913 48.841 -22.917 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -27.074 49.784 -22.082 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -22.389 48.650 -19.135 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -21.969 48.235 -18.382 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -23.322 48.472 -19.018 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -30.125 51.440 -18.788 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -31.018 51.779 -18.855 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -30.224 50.585 -18.370 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -22.522 49.642 -27.028 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -22.869 50.260 -26.383 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -21.864 50.143 -27.509 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -29.482 48.579 -23.491 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -29.711 48.638 -24.418 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -29.925 47.787 -23.184 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -25.019 48.332 -19.245 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -25.117 49.279 -19.351 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -25.762 47.960 -19.721 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -19.405 50.415 -14.601 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -19.502 49.463 -14.607 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -19.727 50.684 -13.740 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -24.797 47.626 -16.574 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -24.085 46.986 -16.588 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -24.898 47.893 -17.488 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -24.444 49.309 -14.520 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -24.575 48.833 -15.341 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -25.043 50.053 -14.576 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -30.911 50.960 -23.496 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -30.466 50.168 -23.194 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -30.445 51.676 -23.065 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -32.330 48.955 -20.028 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -32.995 48.709 -19.385 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -32.773 49.577 -20.605 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -22.180 49.828 -24.019 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -22.855 49.199 -23.764 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -21.616 49.344 -24.622 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -17.038 47.935 -23.907 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -16.434 48.483 -24.408 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -17.907 48.255 -24.147 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -29.854 48.462 -26.197 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -30.631 48.228 -26.705 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -29.323 47.665 -26.189 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -25.274 48.389 -26.384 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -24.400 48.777 -26.414 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -25.410 48.174 -25.461 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -19.717 48.419 -24.735 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -19.641 48.514 -25.684 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -19.993 47.511 -24.606 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -29.896 48.976 -16.680 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -30.262 48.211 -16.237 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -28.983 49.005 -16.393 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -27.923 48.327 -15.144 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -27.024 48.053 -15.329 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -28.309 47.584 -14.680 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -19.501 47.659 -14.962 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -19.425 47.233 -14.108 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -18.608 47.673 -15.304 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -19.435 51.932 -7.557 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -18.789 51.603 -6.932 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -18.925 52.450 -8.180 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -24.321 48.025 -4.431 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -24.438 47.076 -4.485 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -25.176 48.357 -4.158 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -16.079 47.984 -11.481 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -16.978 48.123 -11.186 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -15.827 48.815 -11.883 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -27.052 48.928 -3.653 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -27.913 48.841 -4.061 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -27.074 49.784 -3.226 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -22.727 51.143 -12.994 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -22.981 51.162 -12.071 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -22.984 50.271 -13.295 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -19.994 51.745 -12.375 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -20.932 51.857 -12.526 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -19.697 52.602 -12.069 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -20.606 50.833 -9.945 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -20.386 51.305 -10.748 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -20.048 51.228 -9.274 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -22.522 49.642 -8.172 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -22.869 50.260 -7.527 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -21.864 50.143 -8.653 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -16.441 50.145 -9.171 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -16.259 49.696 -8.346 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -17.041 49.560 -9.635 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -22.180 49.828 -5.163 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -22.855 49.199 -4.908 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -21.616 49.344 -5.766 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -17.038 47.935 -5.051 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -16.434 48.483 -5.552 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -17.907 48.255 -5.291 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -15.311 49.074 -6.717 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -14.699 48.560 -7.244 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -14.928 49.952 -6.694 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -31.017 48.260 -11.538 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -30.578 48.871 -12.129 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -31.651 48.798 -11.064 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -25.274 48.389 -7.528 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -24.400 48.777 -7.558 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -25.410 48.174 -6.605 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -19.717 48.419 -5.879 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -19.641 48.514 -6.828 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -19.993 47.511 -5.750 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -18.364 48.445 -10.186 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -19.067 49.059 -10.396 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -18.809 47.607 -10.055 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -24.130 50.469 -10.638 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -23.952 49.823 -9.955 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -24.184 51.303 -10.171 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -10.618 -0.080 -2.371 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -10.576 -0.706 -1.647 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -9.915 0.543 -2.189 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -9.694 4.370 -3.836 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -10.064 3.568 -4.205 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -8.753 4.201 -3.789 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -12.374 0.192 -6.317 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -12.160 -0.578 -5.790 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -11.636 0.281 -6.920 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -2.169 8.349 -5.450 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -1.549 7.672 -5.723 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -2.377 8.131 -4.542 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -11.681 -2.370 -5.196 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -11.027 -2.920 -4.764 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -11.657 -2.644 -6.112 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -6.922 1.827 -1.596 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -7.662 2.425 -1.493 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -6.208 2.381 -1.912 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -8.514 3.791 -0.809 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -8.520 4.670 -1.187 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -9.368 3.708 -0.384 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -7.780 -0.097 -3.463 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -7.215 0.024 -4.226 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -7.461 0.540 -2.824 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -9.980 0.500 0.483 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -9.910 1.151 1.181 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -10.871 0.603 0.148 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -13.313 5.347 -3.808 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -12.367 5.203 -3.827 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -13.426 6.131 -3.271 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -4.137 5.587 0.750 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -4.050 6.413 1.225 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -5.001 5.257 0.999 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -10.355 -2.354 -0.691 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -10.393 -1.954 0.177 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -10.846 -3.171 -0.601 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 2.166 9.881 2.981 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 2.366 10.305 2.146 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 2.822 10.224 3.588 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -3.516 2.547 0.663 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -3.862 2.166 1.469 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -3.716 3.481 0.734 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -9.911 1.658 -4.805 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -9.166 1.656 -5.406 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -9.833 0.834 -4.323 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -5.886 -0.364 2.723 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -6.182 -0.530 1.828 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -4.955 -0.584 2.713 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -1.266 5.009 0.613 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -2.167 5.192 0.345 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -1.232 5.268 1.534 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -5.594 6.988 -1.509 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -5.231 7.843 -1.742 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -5.062 6.696 -0.768 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 0.609 7.639 0.661 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 0.007 7.084 0.166 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 0.890 8.306 0.035 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 1.879 7.893 -3.372 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 1.723 8.571 -4.029 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 2.811 7.965 -3.169 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -1.233 5.863 3.205 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -1.584 5.007 3.448 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -0.507 6.006 3.812 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -5.845 2.344 3.243 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -6.173 2.615 2.385 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -5.693 1.403 3.155 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -7.721 -1.417 0.604 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -8.339 -0.742 0.885 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -7.377 -1.096 -0.229 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -8.903 -2.864 3.598 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -9.670 -3.396 3.388 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -8.224 -3.174 2.999 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -13.824 9.653 -7.928 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -14.471 9.191 -8.461 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -13.469 8.981 -7.345 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -12.954 7.734 -6.123 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -13.288 6.853 -5.951 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -12.732 8.079 -5.259 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -12.874 0.809 -3.672 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -12.690 0.727 -4.607 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -12.025 0.685 -3.248 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -13.276 -3.920 2.469 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -12.357 -4.042 2.705 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -13.726 -4.670 2.858 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -13.751 -2.609 -3.571 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -13.259 -2.830 -4.361 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -13.389 -1.768 -3.290 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -8.328 6.537 -0.769 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -8.753 7.346 -1.052 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -7.423 6.622 -1.071 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -1.672 9.221 1.434 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -0.995 8.589 1.194 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -1.350 9.623 2.242 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -8.459 9.393 -1.692 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -9.324 9.465 -1.288 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -8.514 9.940 -2.476 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -3.748 9.281 -2.516 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -4.205 9.810 -3.170 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -3.585 9.884 -1.791 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -1.421 8.159 -1.571 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -2.325 8.324 -1.837 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -0.992 9.012 -1.637 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 1.184 9.729 -1.276 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 1.002 10.645 -1.487 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 1.360 9.319 -2.123 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -11.511 8.416 -3.811 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -11.530 7.991 -2.954 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -10.706 8.098 -4.220 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -9.370 7.126 -5.156 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -9.589 6.210 -4.987 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -8.546 7.266 -4.690 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -9.694 4.370 15.020 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -10.064 3.568 14.651 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -8.753 4.201 15.067 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -12.374 0.192 12.539 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -12.160 -0.578 13.066 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -11.636 0.281 11.936 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -2.169 8.349 13.406 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -1.549 7.672 13.133 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -2.377 8.131 14.314 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -4.597 2.738 15.298 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -4.293 2.052 14.704 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -3.875 2.856 15.916 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -2.122 3.651 10.516 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -2.418 3.329 9.665 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -2.446 4.551 10.558 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -12.393 3.462 8.829 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -12.665 3.691 7.940 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -12.348 4.300 9.289 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -0.516 6.865 12.167 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -0.091 6.158 11.682 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -0.199 7.666 11.750 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -8.147 1.134 11.760 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -8.477 0.764 10.941 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -7.559 0.464 12.106 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -6.780 4.562 14.441 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -6.875 3.984 13.684 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -6.051 4.191 14.937 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -3.195 6.403 10.997 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -2.721 6.698 11.775 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -3.758 7.141 10.764 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -8.661 6.374 20.874 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -8.653 6.238 19.926 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -9.577 6.256 21.126 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -9.157 0.204 9.349 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -9.449 0.972 8.858 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -9.831 -0.456 9.186 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -13.313 5.347 15.048 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -12.367 5.203 15.029 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -13.426 6.131 15.585 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -3.723 9.359 9.412 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -3.798 9.238 8.466 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -3.690 10.309 9.531 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -0.621 8.513 6.415 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -0.246 7.769 5.944 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -0.617 8.243 7.333 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -0.952 8.439 9.164 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -1.887 8.539 9.343 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -0.672 7.730 9.742 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -10.815 3.890 19.207 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -10.598 3.529 20.067 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -11.670 3.516 18.997 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -5.036 2.363 8.282 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -5.780 1.856 7.959 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -5.170 2.412 9.228 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -9.911 1.658 14.051 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -9.166 1.656 13.450 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -9.833 0.834 14.533 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -2.910 3.822 7.307 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -3.205 4.648 7.689 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -3.613 3.202 7.503 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -11.781 0.038 6.043 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -11.165 0.665 6.422 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -12.643 0.354 6.314 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -6.109 2.839 11.032 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -6.350 3.764 11.074 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -6.849 2.380 11.428 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -5.594 6.988 17.347 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -5.231 7.843 17.114 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -5.062 6.696 18.088 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -11.618 6.677 17.359 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -11.401 5.745 17.328 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -11.371 6.951 18.243 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -10.366 1.951 7.535 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -11.052 2.303 8.102 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -9.843 2.714 7.289 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -4.081 6.396 7.774 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -4.898 6.893 7.827 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -3.552 6.871 7.134 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -11.434 -2.771 5.548 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -11.479 -1.832 5.727 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -12.322 -3.007 5.278 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -12.407 8.564 21.712 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -11.867 8.347 22.471 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -12.888 7.758 21.522 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 0.886 6.808 4.941 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 1.169 6.014 5.394 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 1.626 7.041 4.380 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -8.159 2.718 4.798 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -8.095 1.924 5.329 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -7.506 2.599 4.109 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -2.807 3.765 4.534 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -3.075 3.945 5.435 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -3.013 2.839 4.403 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -7.010 0.690 7.104 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -7.469 0.206 7.790 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -6.755 0.022 6.468 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -12.954 7.734 12.733 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -13.288 6.853 12.905 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -12.732 8.079 13.597 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 1.333 8.633 11.285 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 1.986 8.286 10.677 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 1.844 9.122 11.931 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -11.282 5.562 21.828 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -12.103 5.737 21.368 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -11.534 5.489 22.749 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -8.328 6.537 18.087 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -8.753 7.346 17.804 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -7.423 6.622 17.785 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -1.672 9.221 20.290 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -0.995 8.589 20.050 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -1.350 9.623 21.098 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -8.459 9.393 17.164 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -9.324 9.465 17.568 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -8.514 9.940 16.380 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -3.748 9.281 16.340 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -4.205 9.810 15.686 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -3.585 9.884 17.065 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -1.421 8.159 17.285 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -2.325 8.324 17.019 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -0.992 9.012 17.219 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -10.442 8.560 24.097 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -10.710 8.847 24.970 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -9.671 8.014 24.249 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -12.407 27.420 -16.000 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -11.867 27.203 -15.241 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -12.888 26.614 -16.190 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -1.919 19.906 -7.383 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -1.830 20.850 -7.515 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -2.558 19.631 -8.041 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 0.720 22.100 -5.662 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 0.279 21.380 -5.212 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 0.707 22.821 -5.032 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -13.084 16.886 -8.443 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -13.532 17.732 -8.461 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -13.645 16.306 -8.958 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -12.374 19.048 -6.317 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -12.160 18.278 -5.790 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -11.636 19.137 -6.920 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 4.066 13.195 -2.697 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 4.115 13.805 -1.961 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 4.492 13.656 -3.420 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -8.301 14.089 -5.958 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -8.258 14.949 -6.376 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -8.759 13.537 -6.591 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -0.579 14.220 -7.557 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 0.067 13.891 -6.932 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -0.069 14.738 -8.180 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -11.681 16.486 -5.196 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -11.027 15.936 -4.764 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -11.657 16.212 -6.112 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -6.525 18.036 -5.980 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -5.909 17.510 -5.471 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -7.111 17.396 -6.384 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 4.458 14.673 -0.461 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 3.769 15.331 -0.556 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 4.473 14.476 0.476 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -2.122 22.507 -8.340 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -2.418 22.185 -9.191 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -2.446 23.407 -8.298 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 1.185 13.511 -5.576 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 0.970 12.745 -5.044 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 1.841 13.983 -5.063 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -9.897 14.899 -3.931 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -9.284 15.532 -3.558 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -9.385 14.427 -4.588 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -12.393 22.318 -10.027 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -12.665 22.547 -10.916 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -12.348 23.156 -9.567 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 1.232 23.940 -3.314 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 0.290 23.998 -3.153 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 1.508 24.846 -3.451 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -5.465 10.313 -4.431 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -5.582 9.364 -4.485 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -6.320 10.645 -4.158 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 0.643 23.622 -8.180 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 0.386 22.932 -8.792 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 0.714 23.179 -7.335 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 2.329 22.188 0.297 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 2.469 21.597 -0.442 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 2.497 23.061 -0.059 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -3.198 19.150 -9.931 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -3.910 19.685 -10.282 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -2.507 19.206 -10.591 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 4.171 18.528 -1.637 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 3.519 19.223 -1.548 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 4.636 18.738 -2.447 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 0.208 19.360 -8.979 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -0.524 19.588 -8.406 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 0.655 18.646 -8.524 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -8.147 19.990 -7.096 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -8.477 19.620 -7.915 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -7.559 19.320 -6.750 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -9.157 19.060 -9.507 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -9.449 19.828 -9.998 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -9.831 18.400 -9.670 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 4.884 24.869 1.874 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 4.835 23.914 1.837 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 4.058 25.137 2.276 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -3.723 28.215 -9.444 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -3.798 28.094 -10.390 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -3.690 29.165 -9.325 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -0.952 27.295 -9.692 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -1.887 27.395 -9.513 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -0.672 26.586 -9.114 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 2.036 16.362 2.354 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 1.629 16.843 1.634 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 2.077 15.457 2.047 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -8.196 11.216 -3.653 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -9.057 11.129 -4.061 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -8.218 12.072 -3.226 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -3.533 10.938 -0.279 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -3.113 10.523 0.474 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -4.466 10.760 -0.162 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -8.108 16.403 -7.646 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -9.001 16.062 -7.705 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -7.657 16.026 -8.402 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -2.572 16.819 -8.829 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -2.981 17.634 -9.121 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -1.852 16.679 -9.444 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -13.747 13.618 -6.841 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -13.116 13.589 -6.121 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -13.297 13.193 -7.571 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -5.526 13.830 -6.560 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -6.437 13.887 -6.271 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -5.021 13.770 -5.749 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -10.698 15.459 -7.733 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -11.587 15.559 -8.073 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -10.402 14.617 -8.079 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -5.036 21.219 -10.574 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -5.780 20.712 -10.897 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -5.170 21.268 -9.628 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 2.114 20.352 -1.788 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 2.756 20.809 -2.331 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 1.284 20.465 -2.250 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -2.910 22.678 -11.549 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -3.205 23.504 -11.167 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -3.613 22.058 -11.353 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 4.429 21.910 1.817 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 3.577 22.148 1.450 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 5.019 21.893 1.064 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -0.079 19.704 -3.533 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -1.007 19.472 -3.560 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 0.372 18.927 -3.863 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -7.536 24.032 -7.400 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -7.009 24.805 -7.601 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -8.416 24.257 -7.702 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -6.109 21.695 -7.824 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -6.350 22.620 -7.782 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -6.849 21.236 -7.428 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -7.425 26.717 -8.279 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -8.375 26.822 -8.227 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -7.074 27.537 -7.934 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -2.050 21.943 -1.808 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -2.476 21.716 -0.982 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -1.469 21.205 -1.991 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 0.609 26.495 0.661 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 0.007 25.940 0.166 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 0.890 27.162 0.035 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -10.366 20.807 -11.321 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -11.052 21.159 -10.754 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -9.843 21.570 -11.567 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -1.750 13.121 -9.945 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -1.530 13.593 -10.748 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -1.192 13.516 -9.274 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -4.081 25.252 -11.082 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -4.898 25.749 -11.029 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -3.552 25.727 -11.722 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -4.550 14.849 -9.110 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -3.738 15.353 -9.064 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -4.795 14.704 -8.196 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -3.666 11.930 -8.172 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -4.013 12.548 -7.527 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -3.008 12.431 -8.653 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -6.743 26.295 -11.100 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -6.582 27.095 -11.601 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -6.940 26.602 -10.215 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -9.750 23.421 -12.424 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -9.158 24.120 -12.148 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -9.291 22.988 -13.143 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 1.879 26.749 -3.372 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 1.723 27.427 -4.029 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 2.811 26.821 -3.169 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -10.626 10.867 -4.635 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -10.855 10.926 -5.562 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -11.069 10.075 -4.328 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -0.110 21.116 0.626 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 0.635 21.704 0.506 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -0.867 21.698 0.689 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 0.345 19.207 2.525 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 0.064 19.916 1.947 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 1.288 19.134 2.374 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -6.163 10.620 -0.389 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -6.261 11.567 -0.495 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -6.906 10.248 -0.865 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -0.549 12.703 4.255 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -0.646 11.751 4.249 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -0.871 12.972 5.116 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -6.041 28.480 -12.488 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -5.108 28.638 -12.344 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -6.305 29.155 -13.113 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -12.473 23.116 -13.005 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -11.559 23.195 -12.732 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -12.466 22.429 -13.672 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 4.595 27.399 -3.143 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 4.573 27.584 -2.204 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 5.285 27.968 -3.484 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 4.158 26.966 -0.221 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 3.671 26.231 -0.592 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 4.707 26.573 0.457 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 2.609 22.756 4.417 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 1.743 22.651 4.811 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 2.985 23.515 4.864 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 4.063 21.851 -3.297 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 4.897 21.473 -3.578 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 4.175 22.794 -3.416 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 2.550 24.729 -0.990 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 1.902 25.054 -0.365 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 2.032 24.289 -1.665 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 2.091 17.587 -7.682 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 1.941 16.642 -7.702 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 1.737 17.868 -6.838 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 2.947 19.557 1.957 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 3.530 18.823 2.148 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 3.511 20.329 2.003 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 4.444 17.460 2.641 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 3.581 17.081 2.476 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 5.048 16.721 2.567 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 1.801 15.170 -9.220 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 2.081 14.263 -9.095 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 2.560 15.604 -9.609 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 2.413 15.751 -3.784 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 3.346 15.963 -3.818 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 2.178 15.853 -2.861 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -12.055 13.248 -4.640 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -11.610 12.456 -4.338 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -11.589 13.964 -4.209 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -13.751 16.247 -3.571 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -13.259 16.026 -4.361 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -13.389 17.088 -3.290 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 4.245 12.577 2.695 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 3.328 12.848 2.659 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 4.368 12.042 1.911 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 1.333 27.489 -7.571 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 1.986 27.142 -8.179 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 1.844 27.978 -6.925 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 3.246 10.667 0.514 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 2.433 10.992 0.126 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 3.479 9.907 -0.019 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 1.184 28.585 -1.276 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 1.002 29.501 -1.487 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 1.360 28.175 -2.123 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -3.324 12.116 -5.163 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -3.999 11.487 -4.908 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -2.760 11.632 -5.766 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 1.818 10.223 -5.051 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 2.422 10.771 -5.552 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 0.949 10.543 -5.291 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 3.545 11.362 -6.717 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 4.157 10.848 -7.244 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 3.928 12.240 -6.694 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -10.998 10.750 -7.341 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -11.775 10.516 -7.849 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -10.467 9.953 -7.333 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -0.861 10.707 -5.879 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -0.785 10.802 -6.828 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -1.137 9.799 -5.750 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -12.260 26.496 -10.640 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -12.945 26.458 -11.308 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -12.257 27.409 -10.352 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -10.442 27.416 -13.615 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -10.710 27.703 -12.742 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -9.671 26.870 -13.463 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -0.645 9.947 3.894 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -0.569 9.521 4.748 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 0.248 9.961 3.552 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 2.531 26.020 2.587 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 1.749 25.834 2.067 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 2.459 26.949 2.804 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 0.720 22.100 13.194 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 0.279 21.380 13.644 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 0.707 22.821 13.824 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -1.456 15.988 15.626 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -1.313 15.041 15.646 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -1.562 16.195 14.697 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -6.922 20.683 17.260 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -7.662 21.281 17.363 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -6.208 21.237 16.944 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 1.185 13.511 13.280 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 0.970 12.745 13.812 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 1.841 13.983 13.793 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 1.232 23.940 15.542 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 0.290 23.998 15.703 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 1.508 24.846 15.405 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 1.532 12.226 16.959 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 0.796 12.837 16.921 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 2.216 12.641 16.433 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 0.208 19.360 9.877 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -0.524 19.588 10.450 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 0.655 18.646 10.332 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -1.471 24.262 16.127 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -1.712 24.924 16.775 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -1.669 23.428 16.552 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -6.900 23.158 20.110 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -7.212 23.940 20.566 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -7.550 23.005 19.424 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -8.661 25.230 20.874 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -8.653 25.094 19.926 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -9.577 25.112 21.126 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 2.777 10.272 7.375 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 1.878 10.411 7.670 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 3.029 11.103 6.973 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 3.967 24.638 5.752 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 4.040 25.577 5.922 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 4.872 24.333 5.695 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -4.137 24.443 19.606 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -4.050 25.269 20.081 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -5.001 24.113 19.855 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -3.533 10.938 18.577 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -3.113 10.523 19.330 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -4.466 10.760 18.694 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 0.556 19.555 5.192 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 0.598 19.332 4.262 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 1.405 19.953 5.382 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -3.470 16.994 21.515 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -4.033 16.290 21.835 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -2.644 16.874 21.982 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -2.304 17.903 17.512 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -1.980 17.272 16.869 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -2.744 17.368 18.173 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -1.121 13.065 15.560 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -1.798 13.196 16.224 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -1.607 12.910 14.750 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -10.236 21.211 21.445 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -9.503 21.465 22.006 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -11.016 21.415 21.960 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -3.516 21.403 19.519 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -3.862 21.022 20.325 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -3.716 22.337 19.590 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -5.886 18.492 21.579 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -6.182 18.326 20.684 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -4.955 18.272 21.569 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -0.079 19.704 15.323 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -1.007 19.472 15.296 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 0.372 18.927 14.993 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -5.594 25.844 17.347 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -5.231 26.699 17.114 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -5.062 25.552 18.088 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -2.050 21.943 17.048 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -2.476 21.716 17.874 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -1.469 21.205 16.865 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 4.657 27.352 6.323 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 5.400 27.938 6.183 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 3.962 27.920 6.656 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 1.019 21.545 8.348 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 0.742 20.817 8.904 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 1.946 21.664 8.554 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -2.534 13.469 17.814 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -1.836 13.543 18.464 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -2.915 12.605 17.969 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -4.014 15.835 18.931 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -3.895 16.409 19.688 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -3.359 15.147 19.046 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 0.792 17.493 13.862 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -0.005 17.078 13.533 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 1.237 16.802 14.353 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 1.879 26.749 15.484 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 1.723 27.427 14.827 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 2.811 26.821 15.687 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -12.407 27.420 21.712 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -11.867 27.203 22.471 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -12.888 26.614 21.522 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -12.500 21.230 22.666 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -12.356 20.328 22.380 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -13.273 21.516 22.178 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -11.668 18.430 22.086 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -11.260 17.573 21.965 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -11.928 18.445 23.007 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -7.721 17.439 19.460 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -8.339 18.114 19.741 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -7.377 17.760 18.627 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 3.451 20.144 4.812 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 3.178 19.719 3.999 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 3.491 21.075 4.595 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -7.381 14.794 20.543 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -7.231 14.065 19.940 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -7.379 15.571 19.984 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -5.387 18.603 18.275 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -4.636 18.447 17.702 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -5.726 19.455 17.999 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -8.903 15.992 22.454 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -9.670 15.460 22.244 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -8.224 15.682 21.855 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -4.899 14.942 22.030 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -5.135 14.722 22.932 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -5.682 14.735 21.521 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -2.183 14.069 21.106 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -3.131 14.101 21.238 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -1.871 13.444 21.760 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -10.722 13.913 22.159 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -10.511 13.206 21.548 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -10.834 13.475 23.003 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -5.941 9.914 21.138 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -5.229 9.274 21.124 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -6.042 10.181 20.224 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 3.910 21.013 8.787 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 4.760 21.434 8.915 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 3.915 20.273 9.395 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 2.921 16.207 5.553 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 3.018 16.874 4.873 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 2.781 15.391 5.071 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 2.091 17.587 11.174 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 1.941 16.642 11.154 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 1.737 17.868 12.018 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 2.169 13.615 4.670 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 2.779 13.243 5.307 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 1.332 13.193 4.866 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 1.801 15.170 9.636 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 2.081 14.263 9.761 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 2.560 15.604 9.247 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 2.413 15.751 15.072 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 3.346 15.963 15.038 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 2.178 15.853 15.995 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -13.276 14.936 21.325 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -12.357 14.814 21.561 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -13.726 14.186 21.714 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 2.415 12.433 9.685 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 2.597 11.984 10.510 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 1.815 11.848 9.221 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -11.282 24.418 21.828 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -12.103 24.593 21.368 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -11.534 24.345 22.749 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -8.328 25.393 18.087 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -8.753 26.202 17.804 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -7.423 25.478 17.785 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -1.672 28.077 20.290 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -0.995 27.445 20.050 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -1.350 28.479 21.098 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -10.926 28.649 18.134 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -11.646 29.089 17.683 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -11.292 28.398 18.983 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -3.748 28.137 16.340 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -4.205 28.666 15.686 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -3.585 28.740 17.065 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -1.421 27.015 17.285 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -2.325 27.180 17.019 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -0.992 27.868 17.219 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 1.184 28.585 17.580 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 1.002 29.501 17.369 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 1.360 28.175 16.733 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 1.818 10.223 13.805 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 2.422 10.771 13.304 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 0.949 10.543 13.565 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 3.545 11.362 12.139 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 4.157 10.848 11.612 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 3.928 12.240 12.162 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -0.861 10.707 12.977 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -0.785 10.802 12.028 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -1.137 9.799 13.106 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 0.492 10.733 8.670 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -0.211 11.347 8.460 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 0.047 9.895 8.801 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 3.313 27.269 9.293 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 3.119 26.521 8.728 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 3.274 28.027 8.709 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -11.040 11.264 21.032 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -11.406 10.499 21.475 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -10.127 11.293 21.319 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -9.067 10.615 22.568 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -8.168 10.341 22.383 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -9.453 9.872 23.032 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -11.781 18.894 24.899 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -11.165 19.521 25.278 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -12.643 19.210 25.170 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -11.434 16.085 24.404 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -11.479 17.024 24.583 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -12.322 15.849 24.134 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -12.473 23.116 24.707 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -11.559 23.195 24.980 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -12.466 22.429 24.040 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -10.300 12.464 24.617 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -9.809 11.834 24.089 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -9.677 12.760 25.280 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -10.442 27.416 24.097 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -10.710 27.703 24.970 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -9.671 26.870 24.249 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -13.313 43.059 -22.664 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -12.367 42.915 -22.683 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -13.426 43.843 -22.127 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -11.269 32.584 -18.788 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -12.162 32.923 -18.855 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -11.368 31.729 -18.370 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -12.500 40.086 -15.046 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -12.356 39.184 -15.332 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -13.273 40.372 -15.534 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -11.668 37.286 -15.626 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -11.260 36.429 -15.747 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -11.928 37.301 -14.705 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -7.381 33.650 -17.169 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -7.231 32.921 -17.772 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -7.379 34.427 -17.728 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -8.903 34.848 -15.258 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -9.670 34.316 -15.468 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -8.224 34.538 -15.857 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -10.722 32.769 -15.553 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -10.511 32.062 -16.164 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -10.834 32.331 -14.709 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -5.588 30.453 -14.520 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -5.719 29.977 -15.341 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -6.187 31.197 -14.576 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -13.276 33.792 -16.387 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -12.357 33.670 -16.151 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -13.726 33.042 -15.998 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -13.751 35.103 -22.427 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -13.259 34.882 -23.217 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -13.389 35.944 -22.146 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -11.040 30.120 -16.680 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -11.406 29.355 -16.237 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -10.127 30.149 -16.393 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -9.067 29.471 -15.144 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -8.168 29.197 -15.329 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -9.453 28.728 -14.680 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -1.919 38.762 -7.383 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -1.830 39.706 -7.515 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -2.558 38.487 -8.041 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 0.720 40.956 -5.662 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 0.279 40.236 -5.212 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 0.707 41.677 -5.032 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -9.694 42.082 -3.836 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -10.064 41.280 -4.205 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -8.753 41.913 -3.789 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 4.066 32.051 -2.697 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 4.115 32.661 -1.961 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 4.492 32.512 -3.420 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -0.579 33.076 -7.557 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 0.067 32.747 -6.932 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -0.069 33.594 -8.180 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 4.458 33.529 -0.461 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 3.769 34.187 -0.556 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 4.473 33.332 0.476 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -2.122 41.363 -8.340 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -2.418 41.041 -9.191 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -2.446 42.263 -8.298 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 1.185 32.367 -5.576 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 0.970 31.601 -5.044 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 1.841 32.839 -5.063 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -8.514 41.503 -0.809 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -8.520 42.382 -1.187 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -9.368 41.420 -0.384 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -12.393 41.174 -10.027 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -12.665 41.403 -10.916 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -12.348 42.012 -9.567 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 1.232 42.796 -3.314 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 0.290 42.854 -3.153 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 1.508 43.702 -3.451 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 1.532 31.082 -1.897 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 0.796 31.693 -1.935 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 2.216 31.497 -2.423 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -3.198 38.006 -9.931 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -3.910 38.541 -10.282 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -2.507 38.062 -10.591 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 4.171 37.384 -1.637 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 3.519 38.079 -1.548 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 4.636 37.594 -2.447 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -8.147 38.846 -7.096 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -8.477 38.476 -7.915 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -7.559 38.176 -6.750 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -6.780 42.274 -4.415 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -6.875 41.696 -5.172 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -6.051 41.903 -3.919 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -1.471 43.118 -2.729 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -1.712 43.780 -2.081 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -1.669 42.284 -2.304 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -8.661 44.086 2.018 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -8.653 43.950 1.070 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -9.577 43.968 2.270 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -9.157 37.916 -9.507 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -9.449 38.684 -9.998 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -9.831 37.256 -9.670 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -13.313 43.059 -3.808 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -12.367 42.915 -3.827 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -13.426 43.843 -3.271 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 4.884 43.725 1.874 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 4.835 42.770 1.837 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 4.058 43.993 2.276 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -4.137 43.299 0.750 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -4.050 44.125 1.225 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -5.001 42.969 0.999 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -10.815 41.602 0.351 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -10.598 41.241 1.211 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -11.670 41.228 0.141 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -8.108 35.259 -7.646 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -9.001 34.918 -7.705 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -7.657 34.882 -8.402 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -2.572 35.675 -8.829 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -2.981 36.490 -9.121 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -1.852 35.535 -9.444 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -1.568 35.121 -6.015 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -1.763 35.726 -6.730 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -1.386 34.287 -6.450 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -6.989 32.732 -13.893 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -7.420 32.287 -13.163 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -7.707 33.104 -14.405 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -7.045 34.315 -10.077 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -6.113 34.444 -9.899 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -7.260 34.985 -10.726 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -8.371 35.510 -12.510 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -8.913 35.130 -13.201 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -7.537 35.704 -12.939 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 4.429 40.766 1.817 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 3.577 41.004 1.450 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 5.019 40.749 1.064 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -0.079 38.560 -3.533 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -1.007 38.328 -3.560 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 0.372 37.783 -3.863 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -7.536 42.888 -7.400 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -7.009 43.661 -7.601 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -8.416 43.113 -7.702 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -11.781 37.750 -12.813 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -11.165 38.377 -12.434 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -12.643 38.066 -12.542 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -6.109 40.551 -7.824 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -6.350 41.476 -7.782 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -6.849 40.092 -7.428 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -5.594 44.700 -1.509 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -5.231 45.555 -1.742 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -5.062 44.408 -0.768 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 0.609 45.351 0.661 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 0.007 44.796 0.166 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 0.890 46.018 0.035 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -11.618 44.389 -1.497 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -11.401 43.457 -1.528 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -11.371 44.663 -0.613 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -10.366 39.663 -11.321 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -11.052 40.015 -10.754 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -9.843 40.426 -11.567 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -4.550 33.705 -9.110 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -3.738 34.209 -9.064 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -4.795 33.560 -8.196 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -3.666 30.786 -8.172 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -4.013 31.404 -7.527 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -3.008 31.287 -8.653 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 0.792 36.349 -4.994 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -0.005 35.934 -5.323 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 1.237 35.658 -4.503 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -11.696 43.663 -8.474 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -12.528 44.136 -8.447 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -11.150 44.173 -9.073 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -12.407 46.276 2.856 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -11.867 46.059 3.615 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -12.888 45.470 2.666 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -7.810 45.195 4.476 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -7.042 44.736 4.817 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -7.831 44.969 3.546 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -1.233 43.575 3.205 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -1.584 42.719 3.448 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -0.507 43.718 3.812 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -7.010 38.402 -11.752 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -7.469 37.918 -11.066 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -6.755 37.734 -12.388 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -5.939 36.645 -13.489 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -6.119 36.491 -14.417 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -4.988 36.753 -13.445 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -12.473 41.972 -13.005 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -11.559 42.051 -12.732 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -12.466 41.285 -13.672 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -13.824 47.365 -7.928 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -14.471 46.903 -8.461 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -13.469 46.693 -7.345 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -12.954 45.446 -6.123 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -13.288 44.565 -5.951 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -12.732 45.791 -5.259 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 2.609 41.612 4.417 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 1.743 41.507 4.811 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 2.985 42.371 4.864 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 4.063 40.707 -3.297 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 4.897 40.329 -3.578 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 4.175 41.650 -3.416 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 2.550 43.585 -0.990 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 1.902 43.910 -0.365 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 2.032 43.145 -1.665 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 4.444 36.316 2.641 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 3.581 35.937 2.476 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 5.048 35.577 2.567 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 2.413 34.607 -3.784 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 3.346 34.819 -3.818 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 2.178 34.709 -2.861 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -11.282 43.274 2.972 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -12.103 43.449 2.512 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -11.534 43.201 3.893 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -8.328 44.249 -0.769 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -8.753 45.058 -1.052 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -7.423 44.334 -1.071 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -4.017 45.648 2.190 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -3.832 45.314 3.068 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -3.170 45.957 1.868 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 3.246 29.523 0.514 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 2.433 29.848 0.126 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 3.479 28.763 -0.019 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -1.421 45.871 -1.571 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -2.325 46.036 -1.837 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -0.992 46.724 -1.637 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -9.370 44.838 -5.156 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -9.589 43.922 -4.987 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -8.546 44.978 -4.690 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -3.324 30.972 -5.163 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -3.999 30.343 -4.908 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -2.760 30.488 -5.766 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 1.818 29.079 -5.051 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 2.422 29.627 -5.552 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 0.949 29.399 -5.291 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 3.545 30.218 -6.717 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 4.157 29.704 -7.244 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 3.928 31.096 -6.694 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -6.418 29.533 -7.528 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -5.544 29.921 -7.558 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -6.554 29.318 -6.605 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -0.861 29.563 -5.879 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -0.785 29.658 -6.828 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -1.137 28.655 -5.750 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -12.260 45.352 -10.640 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -12.945 45.314 -11.308 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -12.257 46.265 -10.352 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -5.274 31.613 -10.638 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -5.096 30.967 -9.955 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -5.328 32.447 -10.171 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 2.531 44.876 2.587 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 1.749 44.690 2.067 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 2.459 45.805 2.804 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -1.919 38.762 11.473 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -1.830 39.706 11.341 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -2.558 38.487 10.815 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -2.986 38.017 14.892 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -3.024 37.371 15.597 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -3.309 37.551 14.121 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -10.618 37.632 16.485 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -10.576 37.006 17.209 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -9.915 38.255 16.667 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -12.374 37.904 12.539 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -12.160 37.134 13.066 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -11.636 37.993 11.936 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 4.066 32.051 16.159 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 4.115 32.661 16.895 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 4.492 32.512 15.436 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -1.456 34.844 15.626 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -1.313 33.897 15.646 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -1.562 35.051 14.697 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -6.525 36.892 12.876 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -5.909 36.366 13.385 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -7.111 36.252 12.472 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -9.491 31.863 16.972 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -9.710 32.393 16.206 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -10.159 32.090 17.620 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -2.122 41.363 10.516 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -2.418 41.041 9.665 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -2.446 42.263 10.558 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 1.185 32.367 13.280 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 0.970 31.601 13.812 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 1.841 32.839 13.793 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -12.393 41.174 8.829 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -12.665 41.403 7.940 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -12.348 42.012 9.289 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 1.532 31.082 16.959 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 0.796 31.693 16.921 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 2.216 31.497 16.433 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 0.643 42.478 10.676 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 0.386 41.788 10.064 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 0.714 42.035 11.521 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 0.208 38.216 9.877 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -0.524 38.444 10.450 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 0.655 37.502 10.332 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -8.147 38.846 11.760 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -8.477 38.476 10.941 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -7.559 38.176 12.106 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -7.780 37.615 15.393 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -7.215 37.736 14.630 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -7.461 38.252 16.032 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -3.195 44.115 10.997 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -2.721 44.410 11.775 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -3.758 44.853 10.764 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 3.967 43.494 5.752 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 4.040 44.433 5.922 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 4.872 43.189 5.695 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -3.533 29.794 18.577 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -3.113 29.379 19.330 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -4.466 29.616 18.694 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -0.207 33.550 19.431 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -0.721 33.424 20.228 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -0.362 34.462 19.186 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -8.105 35.038 16.298 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -8.747 34.997 17.007 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -8.068 35.964 16.060 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -2.572 35.675 10.027 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -2.981 36.490 9.735 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -1.852 35.535 9.412 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -10.355 35.358 18.165 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -10.393 35.758 19.033 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -10.846 34.541 18.255 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -2.304 36.759 17.512 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -1.980 36.128 16.869 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -2.744 36.224 18.173 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -4.206 35.474 14.183 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -3.642 34.927 13.636 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -4.354 34.952 14.972 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -5.580 33.862 16.597 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -6.415 34.316 16.707 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -5.056 34.138 17.349 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -9.911 39.370 14.051 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -9.166 39.368 13.450 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -9.833 38.546 14.533 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 4.465 34.966 7.836 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 3.911 34.570 7.164 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 4.566 35.876 7.559 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -0.079 38.560 15.323 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -1.007 38.328 15.296 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 0.372 37.783 14.993 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -7.536 42.888 11.456 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -7.009 43.661 11.255 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -8.416 43.113 11.154 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -6.109 40.551 11.032 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -6.350 41.476 11.074 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -6.849 40.092 11.428 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 0.153 41.728 6.122 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 0.506 41.348 6.926 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -0.796 41.635 6.208 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -11.269 32.584 18.924 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -12.162 32.923 18.857 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -11.368 31.729 19.342 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 1.019 40.401 8.348 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 0.742 39.673 8.904 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 1.946 40.520 8.554 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -6.819 42.410 7.025 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -6.672 41.890 7.815 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -6.822 43.317 7.331 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -2.534 32.325 17.814 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -1.836 32.399 18.464 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -2.915 31.461 17.969 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -4.081 44.108 7.774 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -4.898 44.605 7.827 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -3.552 44.583 7.134 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -4.014 34.691 18.931 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -3.895 35.265 19.688 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -3.359 34.003 19.046 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -6.743 45.151 7.756 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -6.582 45.951 7.255 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -6.940 45.458 8.641 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 0.792 36.349 13.862 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -0.005 35.934 13.533 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 1.237 35.658 14.353 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -9.750 42.277 6.432 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -9.158 42.976 6.708 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -9.291 41.844 5.713 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -11.696 43.663 10.382 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -12.528 44.136 10.409 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -11.150 44.173 9.783 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -3.718 44.703 4.707 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -4.362 44.072 5.029 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -2.956 44.172 4.475 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 0.886 44.520 4.941 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 1.169 43.726 5.394 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 1.626 44.753 4.380 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 3.451 39.000 4.812 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 3.178 38.575 3.999 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 3.491 39.931 4.595 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -7.381 33.650 20.543 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -7.231 32.921 19.940 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -7.379 34.427 19.984 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -6.969 32.020 18.035 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -6.433 32.471 17.383 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -7.821 31.912 17.613 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -6.163 29.476 18.467 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -6.261 30.423 18.361 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -6.906 29.104 17.991 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -2.183 32.925 21.106 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -3.131 32.957 21.238 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -1.871 32.300 21.760 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -5.941 28.770 21.138 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -5.229 28.130 21.124 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -6.042 29.037 20.224 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 3.910 39.869 8.787 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 4.760 40.290 8.915 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 3.915 39.129 9.395 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 4.304 37.922 10.611 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 3.578 37.443 11.009 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 4.885 38.128 11.343 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 4.572 37.823 7.002 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 4.051 38.180 6.283 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 4.539 38.498 7.680 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 2.091 36.443 11.174 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 1.941 35.498 11.154 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 1.737 36.724 12.018 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -12.874 38.521 15.184 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -12.690 38.439 14.249 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -12.025 38.397 15.608 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 2.413 34.607 15.072 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 3.346 34.819 15.038 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 2.178 34.709 15.995 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -13.751 35.103 15.285 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -13.259 34.882 14.495 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -13.389 35.944 15.566 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -13.474 30.099 17.684 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -14.139 29.853 18.327 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -13.917 30.721 17.107 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 1.818 29.079 13.805 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 2.422 29.627 13.304 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 0.949 29.399 13.565 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 3.545 30.218 12.139 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 4.157 29.704 11.612 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 3.928 31.096 12.162 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -12.260 45.352 8.216 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -12.945 45.314 7.548 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -12.257 46.265 8.504 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -11.040 30.120 21.032 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -11.406 29.355 21.475 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -10.127 30.149 21.319 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -10.442 46.272 5.241 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -10.710 46.559 6.114 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -9.671 45.726 5.393 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 5.953 18.975 0.510 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 6.176 18.557 1.342 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 5.351 18.362 0.088 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 6.449 27.420 2.856 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 6.989 27.203 3.615 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 5.968 26.614 2.666 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 5.580 14.936 2.469 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 6.499 14.814 2.705 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 5.130 14.186 2.858 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 5.105 16.247 -3.571 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 5.597 16.026 -4.361 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 5.467 17.088 -3.290 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 5.382 11.243 -1.172 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 4.717 10.997 -0.529 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 4.939 11.865 -1.749 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 6.463 22.318 8.829 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 6.191 22.547 7.940 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 6.508 23.156 9.289 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 6.383 23.116 5.851 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 7.297 23.195 6.124 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 6.390 22.429 5.184 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 5.032 28.509 10.928 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 4.385 28.047 10.395 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 5.387 27.837 11.511 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 5.902 26.590 12.733 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 5.568 25.709 12.905 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 6.124 26.935 13.597 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 6.596 26.496 8.216 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 5.911 26.458 7.548 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 6.599 27.409 8.504 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 8.414 27.416 5.241 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 8.146 27.703 6.114 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 9.185 26.870 5.393 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 5.792 40.279 -0.692 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 5.291 40.251 -1.507 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 5.798 39.373 -0.382 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 5.953 37.831 0.510 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 6.176 37.413 1.342 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 5.351 37.218 0.088 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 7.587 32.584 0.068 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 6.694 32.923 0.001 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 7.488 31.729 0.486 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 6.356 40.086 3.810 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 6.500 39.184 3.524 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 5.583 40.372 3.322 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 7.188 37.286 3.230 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 7.596 36.429 3.109 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 6.928 37.301 4.151 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 8.134 32.769 3.303 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 8.345 32.062 2.692 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 8.022 32.331 4.147 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 5.982 38.521 -3.672 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 6.166 38.439 -4.607 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 6.831 38.397 -3.248 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 5.580 33.792 2.469 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 6.499 33.670 2.705 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 5.130 33.042 2.858 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 5.105 35.103 -3.571 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 5.597 34.882 -4.361 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 5.467 35.944 -3.290 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 5.382 30.099 -1.172 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 4.717 29.853 -0.529 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 4.939 30.721 -1.749 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 7.816 30.120 2.176 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 7.450 29.355 2.619 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 8.729 30.149 2.463 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 9.789 29.471 3.712 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 10.688 29.197 3.527 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 9.403 28.728 4.176 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 5.772 35.742 10.413 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 5.324 36.588 10.395 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 5.211 35.162 9.898 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 5.109 32.474 12.015 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 5.740 32.445 12.735 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 5.559 32.049 11.285 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 6.384 33.220 7.439 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 6.858 33.811 6.854 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 5.666 33.751 7.786 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 8.158 34.315 11.123 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 7.269 34.415 10.783 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 8.454 33.473 10.777 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 7.075 37.750 6.043 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 7.691 38.377 6.422 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 6.213 38.066 6.314 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 7.422 34.941 5.548 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 7.377 35.880 5.727 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 6.534 34.705 5.278 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 5.418 31.361 9.340 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 4.493 31.570 9.210 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 5.872 31.845 8.650 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 7.858 29.606 11.515 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 7.081 29.372 11.007 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 8.389 28.809 11.523 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 6.695 29.404 7.318 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 7.134 30.015 6.727 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 6.061 29.942 7.792 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 8.556 31.320 5.761 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 9.047 30.690 5.233 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 9.179 31.616 6.424 0.00 0.00 WAT1 END