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 13:35:11 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 9.929 -18.402 19.956 1.00 54.35 ATOM 2 CB MET 1 9.237 -19.298 18.140 1.00 74.42 ATOM 3 HB1 MET 1 9.240 -18.374 17.575 1.00 38.28 ATOM 4 HB2 MET 1 8.396 -19.896 17.812 1.00 40.31 ATOM 5 CG MET 1 10.532 -20.030 17.827 1.00 31.03 ATOM 6 HG1 MET 1 11.307 -19.694 18.504 1.00 38.28 ATOM 7 HG2 MET 1 10.821 -19.785 16.815 1.00 42.35 ATOM 8 SD MET 1 10.365 -21.821 17.949 1.00 33.25 ATOM 9 CE MET 1 11.823 -22.233 18.905 1.00 54.10 ATOM 10 HE1 MET 1 11.782 -21.730 19.860 1.00 2.21 ATOM 11 HE2 MET 1 12.706 -21.917 18.369 1.00 51.34 ATOM 12 HE3 MET 1 11.860 -23.301 19.062 1.00 54.34 ATOM 13 C MET 1 7.812 -18.118 19.824 1.00 21.42 ATOM 14 O MET 1 6.695 -18.632 19.799 1.00 74.24 ATOM 15 N MET 1 9.000 -20.187 20.414 1.00 60.33 ATOM 16 HT1 MET 1 8.695 -19.975 21.389 1.00 38.28 ATOM 17 HT2 MET 1 9.938 -20.627 20.468 1.00 38.28 ATOM 18 HT3 MET 1 8.328 -20.868 19.998 1.00 38.28 ATOM 19 CA MET 1 9.066 -18.964 19.623 1.00 53.21 ATOM 20 N GLY 2 8.006 -16.818 20.025 1.00 60.41 ATOM 21 HN GLY 2 8.926 -16.459 20.043 1.00 38.28 ATOM 22 CA GLY 2 6.882 -15.923 20.228 1.00 31.31 ATOM 23 HA1 GLY 2 6.472 -16.099 21.211 1.00 38.28 ATOM 24 HA2 GLY 2 6.118 -16.134 19.488 1.00 61.35 ATOM 25 C GLY 2 7.276 -14.464 20.118 1.00 13.32 ATOM 26 O GLY 2 8.429 -14.105 20.358 1.00 41.55 ATOM 27 N HIS 3 6.316 -13.619 19.754 1.00 61.24 ATOM 28 HN HIS 3 5.412 -13.966 19.562 1.00 38.28 ATOM 29 CA HIS 3 6.569 -12.190 19.611 1.00 1.23 ATOM 30 HA HIS 3 7.324 -11.899 20.334 1.00 52.33 ATOM 31 CB HIS 3 7.089 -11.880 18.207 1.00 1.23 ATOM 32 HB1 HIS 3 8.014 -12.416 18.050 1.00 38.28 ATOM 33 HB2 HIS 3 7.278 -10.819 18.118 1.00 23.02 ATOM 34 CG HIS 3 6.141 -12.273 17.117 1.00 73.21 ATOM 35 ND1 HIS 3 6.184 -13.500 16.488 1.00 14.24 ATOM 36 HD1 HIS 3 6.820 -14.220 16.681 1.00 4.42 ATOM 37 CD2 HIS 3 5.119 -11.595 16.545 1.00 54.40 ATOM 38 HD2 HIS 3 4.796 -10.594 16.794 1.00 72.33 ATOM 39 CE1 HIS 3 5.230 -13.558 15.576 1.00 62.02 ATOM 40 HE1 HIS 3 5.025 -14.398 14.930 1.00 20.33 ATOM 41 NE2 HIS 3 4.569 -12.415 15.590 1.00 1.44 ATOM 42 HE2 HIS 3 3.876 -12.155 14.947 1.00 38.28 ATOM 43 C HIS 3 5.303 -11.384 19.887 1.00 4.12 ATOM 44 O HIS 3 4.190 -11.860 19.661 1.00 3.13 ATOM 45 N HIS 4 5.481 -10.161 20.378 1.00 62.23 ATOM 46 HN HIS 4 6.396 -9.835 20.553 1.00 38.28 ATOM 47 CA HIS 4 4.353 -9.289 20.685 1.00 60.22 ATOM 48 HA HIS 4 3.479 -9.639 20.142 1.00 62.12 ATOM 49 CB HIS 4 4.051 -9.319 22.183 1.00 21.33 ATOM 50 HB1 HIS 4 3.441 -8.463 22.451 1.00 38.28 ATOM 51 HB2 HIS 4 4.979 -9.274 22.734 1.00 63.40 ATOM 52 CG HIS 4 3.318 -10.549 22.622 1.00 73.31 ATOM 53 ND1 HIS 4 3.953 -11.729 22.946 1.00 24.21 ATOM 54 HD1 HIS 4 4.921 -11.883 22.923 1.00 74.11 ATOM 55 CD2 HIS 4 1.994 -10.778 22.791 1.00 3.10 ATOM 56 HD2 HIS 4 1.195 -10.069 22.627 1.00 25.25 ATOM 57 CE1 HIS 4 3.053 -12.631 23.294 1.00 52.12 ATOM 58 HE1 HIS 4 3.261 -13.646 23.598 1.00 61.52 ATOM 59 NE2 HIS 4 1.856 -12.079 23.209 1.00 51.23 ATOM 60 HE2 HIS 4 1.019 -12.497 23.500 1.00 38.28 ATOM 61 C HIS 4 4.636 -7.858 20.239 1.00 10.45 ATOM 62 O HIS 4 5.778 -7.399 20.277 1.00 23.04 ATOM 63 N HIS 5 3.589 -7.156 19.817 1.00 73.30 ATOM 64 HN HIS 5 2.698 -7.581 19.796 1.00 38.28 ATOM 65 CA HIS 5 3.725 -5.777 19.364 1.00 10.51 ATOM 66 HA HIS 5 4.469 -5.288 19.986 1.00 43.35 ATOM 67 CB HIS 5 4.184 -5.739 17.906 1.00 33.00 ATOM 68 HB1 HIS 5 3.349 -5.953 17.251 1.00 38.28 ATOM 69 HB2 HIS 5 4.945 -6.492 17.759 1.00 34.02 ATOM 70 CG HIS 5 4.772 -4.424 17.497 1.00 42.11 ATOM 71 ND1 HIS 5 4.338 -3.715 16.397 1.00 50.30 ATOM 72 HD1 HIS 5 3.622 -3.988 15.786 1.00 71.02 ATOM 73 CD2 HIS 5 5.766 -3.689 18.049 1.00 53.44 ATOM 74 HD2 HIS 5 6.337 -3.943 18.931 1.00 13.55 ATOM 75 CE1 HIS 5 5.040 -2.601 16.289 1.00 41.12 ATOM 76 HE1 HIS 5 4.919 -1.850 15.522 1.00 71.31 ATOM 77 NE2 HIS 5 5.913 -2.561 17.279 1.00 10.22 ATOM 78 HE2 HIS 5 6.495 -1.801 17.488 1.00 38.28 ATOM 79 C HIS 5 2.407 -5.023 19.515 1.00 41.34 ATOM 80 O HIS 5 1.346 -5.630 19.664 1.00 42.02 ATOM 81 N HIS 6 2.482 -3.696 19.475 1.00 32.12 ATOM 82 HN HIS 6 3.362 -3.262 19.391 1.00 38.28 ATOM 83 CA HIS 6 1.294 -2.859 19.607 1.00 24.24 ATOM 84 HA HIS 6 0.563 -3.193 18.880 1.00 63.41 ATOM 85 CB HIS 6 0.699 -3.000 21.008 1.00 33.34 ATOM 86 HB1 HIS 6 0.316 -4.001 21.130 1.00 38.28 ATOM 87 HB2 HIS 6 -0.116 -2.299 21.128 1.00 5.21 ATOM 88 CG HIS 6 1.686 -2.752 22.107 1.00 50.21 ATOM 89 ND1 HIS 6 2.464 -3.748 22.659 1.00 11.51 ATOM 90 HD1 HIS 6 2.453 -4.693 22.400 1.00 62.33 ATOM 91 CD2 HIS 6 2.021 -1.612 22.755 1.00 41.31 ATOM 92 HD2 HIS 6 1.607 -0.629 22.579 1.00 34.33 ATOM 93 CE1 HIS 6 3.234 -3.231 23.600 1.00 15.14 ATOM 94 HE1 HIS 6 3.947 -3.775 24.202 1.00 54.24 ATOM 95 NE2 HIS 6 2.985 -1.936 23.678 1.00 34.10 ATOM 96 HE2 HIS 6 3.348 -1.331 24.359 1.00 38.28 ATOM 97 C HIS 6 1.627 -1.397 19.328 1.00 52.40 ATOM 98 O HIS 6 2.771 -0.969 19.483 1.00 0.32 ATOM 99 N HIS 7 0.619 -0.634 18.914 1.00 24.42 ATOM 100 HN HIS 7 -0.276 -1.036 18.800 1.00 38.28 ATOM 101 CA HIS 7 0.805 0.781 18.613 1.00 60.42 ATOM 102 HA HIS 7 1.335 1.236 19.441 1.00 11.54 ATOM 103 CB HIS 7 1.638 0.948 17.342 1.00 62.02 ATOM 104 HB1 HIS 7 2.642 0.601 17.538 1.00 38.28 ATOM 105 HB2 HIS 7 1.677 1.994 17.066 1.00 11.25 ATOM 106 CG HIS 7 1.110 0.174 16.173 1.00 10.42 ATOM 107 ND1 HIS 7 1.229 -1.195 16.061 1.00 10.22 ATOM 108 HD1 HIS 7 1.674 -1.786 16.698 1.00 1.14 ATOM 109 CD2 HIS 7 0.456 0.586 15.062 1.00 35.30 ATOM 110 HD2 HIS 7 0.189 1.604 14.816 1.00 71.54 ATOM 111 CE1 HIS 7 0.672 -1.592 14.931 1.00 22.00 ATOM 112 HE1 HIS 7 0.615 -2.611 14.579 1.00 51.33 ATOM 113 NE2 HIS 7 0.195 -0.531 14.306 1.00 12.22 ATOM 114 HE2 HIS 7 -0.351 -0.553 13.492 1.00 38.28 ATOM 115 C HIS 7 -0.540 1.482 18.450 1.00 41.43 ATOM 116 O HIS 7 -1.530 0.865 18.057 1.00 34.24 ATOM 117 N HIS 8 -0.568 2.776 18.754 1.00 2.02 ATOM 118 HN HIS 8 0.256 3.215 19.077 1.00 38.28 ATOM 119 CA HIS 8 -1.791 3.562 18.641 1.00 35.24 ATOM 120 HA HIS 8 -2.324 3.243 17.751 1.00 24.32 ATOM 121 CB HIS 8 -2.676 3.346 19.870 1.00 72.25 ATOM 122 HB1 HIS 8 -3.274 4.231 20.055 1.00 38.28 ATOM 123 HB2 HIS 8 -2.053 3.162 20.735 1.00 61.31 ATOM 124 CG HIS 8 -3.624 2.195 19.730 1.00 75.03 ATOM 125 ND1 HIS 8 -4.722 2.221 18.896 1.00 54.41 ATOM 126 HD1 HIS 8 -4.990 2.972 18.325 1.00 14.14 ATOM 127 CD2 HIS 8 -3.633 0.978 20.322 1.00 13.15 ATOM 128 HD2 HIS 8 -2.913 0.609 21.039 1.00 62.10 ATOM 129 CE1 HIS 8 -5.367 1.071 18.983 1.00 5.41 ATOM 130 HE1 HIS 8 -6.264 0.807 18.443 1.00 22.30 ATOM 131 NE2 HIS 8 -4.726 0.299 19.842 1.00 42.01 ATOM 132 HE2 HIS 8 -5.040 -0.572 20.162 1.00 38.28 ATOM 133 C HIS 8 -1.472 5.045 18.484 1.00 10.44 ATOM 134 O HIS 8 -0.327 5.465 18.654 1.00 53.11 ATOM 135 N SER 9 -2.491 5.834 18.159 1.00 52.12 ATOM 136 HN SER 9 -3.386 5.438 18.029 1.00 38.28 ATOM 137 CA SER 9 -2.318 7.270 17.974 1.00 1.14 ATOM 138 HA SER 9 -1.693 7.647 18.774 1.00 25.25 ATOM 139 CB SER 9 -1.633 7.555 16.636 1.00 33.11 ATOM 140 HB1 SER 9 -1.885 8.550 16.288 1.00 38.28 ATOM 141 HB2 SER 9 -1.955 6.832 15.901 1.00 11.01 ATOM 142 OG SER 9 -0.224 7.477 16.758 1.00 44.13 ATOM 143 HG SER 9 0.185 7.768 15.940 1.00 24.44 ATOM 144 C SER 9 -3.661 7.992 18.035 1.00 22.42 ATOM 145 O SER 9 -4.717 7.360 18.078 1.00 61.33 ATOM 146 N HIS 10 -3.612 9.320 18.039 1.00 11.02 ATOM 147 HN HIS 10 -2.737 9.774 17.989 1.00 38.28 ATOM 148 CA HIS 10 -4.824 10.129 18.094 1.00 14.33 ATOM 149 HA HIS 10 -5.623 9.537 18.532 1.00 12.12 ATOM 150 CB HIS 10 -4.600 11.362 18.970 1.00 14.33 ATOM 151 HB1 HIS 10 -5.449 12.029 18.880 1.00 38.28 ATOM 152 HB2 HIS 10 -3.712 11.876 18.633 1.00 62.12 ATOM 153 CG HIS 10 -4.430 11.042 20.423 1.00 32.34 ATOM 154 ND1 HIS 10 -5.315 10.254 21.129 1.00 12.21 ATOM 155 HD1 HIS 10 -6.123 9.835 20.766 1.00 44.13 ATOM 156 CD2 HIS 10 -3.469 11.406 21.304 1.00 65.24 ATOM 157 HD2 HIS 10 -2.610 12.028 21.094 1.00 72.24 ATOM 158 CE1 HIS 10 -4.906 10.149 22.381 1.00 53.31 ATOM 159 HE1 HIS 10 -5.401 9.593 23.163 1.00 5.35 ATOM 160 NE2 HIS 10 -3.787 10.839 22.513 1.00 74.31 ATOM 161 HE2 HIS 10 -3.221 10.850 23.313 1.00 38.28 ATOM 162 C HIS 10 -5.256 10.557 16.695 1.00 74.41 ATOM 163 O HIS 10 -4.437 10.640 15.780 1.00 31.34 ATOM 164 N MET 11 -6.548 10.826 16.536 1.00 72.31 ATOM 165 HN MET 11 -7.158 10.735 17.307 1.00 38.28 ATOM 166 CA MET 11 -7.088 11.245 15.248 1.00 72.33 ATOM 167 HA MET 11 -6.508 12.099 14.911 1.00 20.23 ATOM 168 CB MET 11 -6.964 10.113 14.226 1.00 61.11 ATOM 169 HB1 MET 11 -7.815 9.449 14.316 1.00 38.28 ATOM 170 HB2 MET 11 -6.070 9.543 14.429 1.00 25.25 ATOM 171 CG MET 11 -6.898 10.598 12.787 1.00 71.12 ATOM 172 HG1 MET 11 -6.215 11.436 12.729 1.00 38.28 ATOM 173 HG2 MET 11 -7.884 10.924 12.493 1.00 30.13 ATOM 174 SD MET 11 -6.327 9.321 11.649 1.00 72.01 ATOM 175 CE MET 11 -7.539 9.469 10.338 1.00 1.22 ATOM 176 HE1 MET 11 -8.525 9.283 10.737 1.00 54.33 ATOM 177 HE2 MET 11 -7.322 8.748 9.564 1.00 14.52 ATOM 178 HE3 MET 11 -7.501 10.465 9.923 1.00 64.55 ATOM 179 C MET 11 -8.548 11.667 15.382 1.00 60.45 ATOM 180 O MET 11 -9.294 11.108 16.185 1.00 60.20 ATOM 181 N ALA 12 -8.948 12.656 14.590 1.00 74.15 ATOM 182 HN ALA 12 -8.312 13.072 13.965 1.00 38.28 ATOM 183 CA ALA 12 -10.319 13.151 14.619 1.00 71.21 ATOM 184 HA ALA 12 -10.399 13.952 13.898 1.00 54.44 ATOM 185 CB ALA 12 -11.287 12.049 14.213 1.00 42.11 ATOM 186 HB1 ALA 12 -10.957 11.609 13.283 1.00 43.15 ATOM 187 HB2 ALA 12 -12.272 12.471 14.077 1.00 42.34 ATOM 188 HB3 ALA 12 -11.329 11.286 14.976 1.00 41.23 ATOM 189 C ALA 12 -10.678 13.691 15.999 1.00 52.01 ATOM 190 O ALA 12 -11.840 13.664 16.405 1.00 54.44 ATOM 191 N LYS 13 -9.673 14.181 16.717 1.00 34.33 ATOM 192 HN LYS 13 -8.766 14.208 16.335 1.00 38.28 ATOM 193 CA LYS 13 -9.882 14.728 18.052 1.00 14.24 ATOM 194 HA LYS 13 -10.230 13.916 18.677 1.00 15.43 ATOM 195 CB LYS 13 -8.569 15.280 18.611 1.00 21.11 ATOM 196 HB1 LYS 13 -8.778 16.111 19.274 1.00 38.28 ATOM 197 HB2 LYS 13 -7.964 15.645 17.791 1.00 41.20 ATOM 198 CG LYS 13 -7.751 14.250 19.371 1.00 43.03 ATOM 199 HG1 LYS 13 -7.195 13.649 18.663 1.00 38.28 ATOM 200 HG2 LYS 13 -8.419 13.610 19.935 1.00 54.45 ATOM 201 CD LYS 13 -6.791 14.910 20.346 1.00 25.12 ATOM 202 HD1 LYS 13 -6.499 14.180 21.087 1.00 38.28 ATOM 203 HD2 LYS 13 -7.280 15.741 20.839 1.00 64.33 ATOM 204 CE LYS 13 -5.540 15.414 19.642 1.00 0.14 ATOM 205 HE1 LYS 13 -5.813 15.854 18.691 1.00 38.28 ATOM 206 HE2 LYS 13 -4.877 14.579 19.472 1.00 22.12 ATOM 207 NZ LYS 13 -4.824 16.440 20.451 1.00 71.35 ATOM 208 HZ1 LYS 13 -5.442 17.261 20.624 1.00 14.31 ATOM 209 HZ2 LYS 13 -3.976 16.764 19.943 1.00 41.30 ATOM 210 HZ3 LYS 13 -4.531 16.039 21.367 1.00 61.22 ATOM 211 C LYS 13 -10.939 15.828 18.030 1.00 34.33 ATOM 212 O LYS 13 -11.248 16.404 16.987 1.00 1.52 ATOM 213 N PRO 14 -11.508 16.127 19.208 1.00 45.42 ATOM 214 CA PRO 14 -12.537 17.161 19.350 1.00 40.44 ATOM 215 HA PRO 14 -13.359 16.998 18.667 1.00 75.24 ATOM 216 CB PRO 14 -13.026 16.980 20.789 1.00 73.34 ATOM 217 HB1 PRO 14 -13.885 16.326 20.792 1.00 38.28 ATOM 218 HB2 PRO 14 -13.299 17.931 21.230 1.00 31.24 ATOM 219 CG PRO 14 -11.879 16.353 21.503 1.00 43.33 ATOM 220 HG1 PRO 14 -12.241 15.756 22.327 1.00 38.28 ATOM 221 HG2 PRO 14 -11.206 17.119 21.860 1.00 10.51 ATOM 222 CD PRO 14 -11.188 15.480 20.491 1.00 13.44 ATOM 223 HD1 PRO 14 -11.586 14.476 20.527 1.00 38.28 ATOM 224 HD2 PRO 14 -10.134 15.471 20.686 1.00 54.52 ATOM 225 C PRO 14 -11.979 18.566 19.150 1.00 2.31 ATOM 226 O PRO 14 -11.540 19.213 20.102 1.00 34.01 ATOM 227 N THR 15 -11.998 19.035 17.906 1.00 20.20 ATOM 228 HN THR 15 -12.375 18.480 17.183 1.00 38.28 ATOM 229 CA THR 15 -11.493 20.363 17.582 1.00 73.04 ATOM 230 HA THR 15 -10.758 20.640 18.336 1.00 33.35 ATOM 231 CB THR 15 -10.796 20.379 16.208 1.00 55.10 ATOM 232 HB THR 15 -11.536 20.527 15.429 1.00 22.25 ATOM 233 OG1 THR 15 -10.141 19.127 15.976 1.00 1.25 ATOM 234 HG1 THR 15 -10.777 18.484 15.653 1.00 51.52 ATOM 235 CG2 THR 15 -9.783 21.510 16.129 1.00 44.52 ATOM 236 HG21 THR 15 -10.284 22.457 16.273 1.00 35.15 ATOM 237 HG22 THR 15 -9.310 21.500 15.158 1.00 52.15 ATOM 238 HG23 THR 15 -9.032 21.379 16.895 1.00 32.53 ATOM 239 C THR 15 -12.617 21.393 17.581 1.00 41.11 ATOM 240 O THR 15 -13.685 21.160 17.016 1.00 31.22 ATOM 241 N ALA 16 -12.368 22.533 18.217 1.00 54.44 ATOM 242 HN ALA 16 -11.492 22.661 18.656 1.00 38.28 ATOM 243 CA ALA 16 -13.359 23.601 18.286 1.00 22.45 ATOM 244 HA ALA 16 -14.189 23.249 18.883 1.00 21.11 ATOM 245 CB ALA 16 -12.769 24.824 18.973 1.00 32.30 ATOM 246 HB1 ALA 16 -13.528 25.588 19.072 1.00 24.55 ATOM 247 HB2 ALA 16 -11.944 25.208 18.389 1.00 11.42 ATOM 248 HB3 ALA 16 -12.413 24.546 19.954 1.00 1.24 ATOM 249 C ALA 16 -13.871 23.967 16.897 1.00 25.54 ATOM 250 O ALA 16 -13.322 23.525 15.887 1.00 1.44 ATOM 251 N ARG 17 -14.925 24.775 16.854 1.00 22.51 ATOM 252 HN ARG 17 -15.327 25.090 17.699 1.00 38.28 ATOM 253 CA ARG 17 -15.511 25.198 15.588 1.00 34.13 ATOM 254 HA ARG 17 -14.704 25.524 14.938 1.00 2.15 ATOM 255 CB ARG 17 -16.247 24.031 14.927 1.00 64.32 ATOM 256 HB1 ARG 17 -17.177 23.850 15.454 1.00 38.28 ATOM 257 HB2 ARG 17 -15.631 23.145 14.999 1.00 33.34 ATOM 258 CG ARG 17 -16.559 24.262 13.458 1.00 54.25 ATOM 259 HG1 ARG 17 -15.628 24.349 12.915 1.00 38.28 ATOM 260 HG2 ARG 17 -17.123 25.178 13.357 1.00 51.21 ATOM 261 CD ARG 17 -17.375 23.119 12.875 1.00 60.33 ATOM 262 HD1 ARG 17 -18.422 23.349 13.011 1.00 38.28 ATOM 263 HD2 ARG 17 -17.148 22.195 13.395 1.00 55.04 ATOM 264 NE ARG 17 -17.123 22.939 11.447 1.00 34.24 ATOM 265 HE ARG 17 -17.819 23.245 10.825 1.00 71.20 ATOM 266 CZ ARG 17 -16.016 22.390 10.960 1.00 74.22 ATOM 267 NH1 ARG 17 -15.064 21.969 11.781 1.00 71.13 ATOM 268 HH11 ARG 17 -15.150 22.050 12.770 1.00 12.22 ATOM 269 HH12 ARG 17 -14.233 21.557 11.401 1.00 60.21 ATOM 270 NH2 ARG 17 -15.861 22.260 9.648 1.00 4.44 ATOM 271 HH21 ARG 17 -16.578 22.575 9.022 1.00 55.35 ATOM 272 HH22 ARG 17 -15.027 21.846 9.277 1.00 13.45 ATOM 273 C ARG 17 -16.472 26.365 15.798 1.00 61.14 ATOM 274 O ARG 17 -17.134 26.460 16.830 1.00 5.24 ATOM 275 N GLY 18 -16.542 27.252 14.809 1.00 32.42 ATOM 276 HN GLY 18 -15.993 27.134 14.001 1.00 38.28 ATOM 277 CA GLY 18 -17.423 28.401 14.905 1.00 74.32 ATOM 278 HA1 GLY 18 -16.977 29.216 14.353 1.00 38.28 ATOM 279 HA2 GLY 18 -17.523 28.706 15.941 1.00 14.11 ATOM 280 C GLY 18 -18.797 28.128 14.325 1.00 71.31 ATOM 281 O GLY 18 -18.924 27.440 13.312 1.00 13.15 ATOM 282 N GLU 19 -19.828 28.667 14.969 1.00 24.42 ATOM 283 HN GLU 19 -19.667 29.223 15.768 1.00 38.28 ATOM 284 CA GLU 19 -21.199 28.474 14.512 1.00 43.44 ATOM 285 HA GLU 19 -21.234 27.620 13.843 1.00 73.01 ATOM 286 CB GLU 19 -22.121 28.190 15.699 1.00 60.21 ATOM 287 HB1 GLU 19 -23.139 28.102 15.338 1.00 38.28 ATOM 288 HB2 GLU 19 -22.064 29.017 16.392 1.00 21.20 ATOM 289 CG GLU 19 -21.770 26.917 16.451 1.00 3.21 ATOM 290 HG1 GLU 19 -20.822 27.059 16.950 1.00 38.28 ATOM 291 HG2 GLU 19 -21.685 26.103 15.744 1.00 21.31 ATOM 292 CD GLU 19 -22.814 26.544 17.485 1.00 30.41 ATOM 293 OE1 GLU 19 -23.916 26.112 17.087 1.00 12.51 ATOM 294 OE2 GLU 19 -22.528 26.682 18.693 1.00 52.40 ATOM 295 C GLU 19 -21.695 29.700 13.750 1.00 10.33 ATOM 296 O GLU 19 -21.144 30.793 13.885 1.00 73.41 ATOM 297 N ALA 20 -22.739 29.510 12.950 1.00 21.01 ATOM 298 HN ALA 20 -23.131 28.607 12.873 1.00 38.28 ATOM 299 CA ALA 20 -23.311 30.599 12.168 1.00 2.34 ATOM 300 HA ALA 20 -23.339 31.490 12.784 1.00 21.24 ATOM 301 CB ALA 20 -22.440 30.893 10.956 1.00 23.20 ATOM 302 HB1 ALA 20 -22.814 31.764 10.439 1.00 44.23 ATOM 303 HB2 ALA 20 -22.448 30.045 10.286 1.00 64.33 ATOM 304 HB3 ALA 20 -21.427 31.079 11.282 1.00 42.22 ATOM 305 C ALA 20 -24.735 30.273 11.732 1.00 12.03 ATOM 306 O ALA 20 -25.260 29.204 12.042 1.00 51.34 ATOM 307 N GLY 21 -25.356 31.202 11.012 1.00 14.31 ATOM 308 HN GLY 21 -24.906 32.054 10.811 1.00 38.28 ATOM 309 CA GLY 21 -26.715 30.994 10.546 1.00 1.41 ATOM 310 HA1 GLY 21 -27.381 31.577 11.164 1.00 38.28 ATOM 311 HA2 GLY 21 -26.992 29.949 10.631 1.00 41.11 ATOM 312 C GLY 21 -26.905 31.422 9.104 1.00 12.14 ATOM 313 O GLY 21 -27.366 32.531 8.835 1.00 52.15 ATOM 314 N SER 22 -26.548 30.541 8.175 1.00 1.33 ATOM 315 HN SER 22 -26.173 29.670 8.449 1.00 38.28 ATOM 316 CA SER 22 -26.677 30.836 6.753 1.00 64.20 ATOM 317 HA SER 22 -27.424 31.611 6.618 1.00 41.01 ATOM 318 CB SER 22 -25.345 31.338 6.192 1.00 62.01 ATOM 319 HB1 SER 22 -25.535 31.971 5.338 1.00 38.28 ATOM 320 HB2 SER 22 -24.726 30.503 5.889 1.00 44.12 ATOM 321 OG SER 22 -24.634 32.088 7.161 1.00 5.12 ATOM 322 HG SER 22 -23.779 32.341 6.806 1.00 23.01 ATOM 323 C SER 22 -27.133 29.601 5.982 1.00 52.23 ATOM 324 O SER 22 -26.994 28.473 6.455 1.00 4.31 ATOM 325 N ARG 23 -27.679 29.824 4.791 1.00 75.22 ATOM 326 HN ARG 23 -27.754 30.752 4.460 1.00 38.28 ATOM 327 CA ARG 23 -28.158 28.730 3.953 1.00 12.54 ATOM 328 HA ARG 23 -28.736 28.052 4.571 1.00 45.53 ATOM 329 CB ARG 23 -29.057 29.269 2.839 1.00 12.21 ATOM 330 HB1 ARG 23 -29.282 28.468 2.144 1.00 38.28 ATOM 331 HB2 ARG 23 -28.523 30.049 2.314 1.00 74.14 ATOM 332 CG ARG 23 -30.374 29.839 3.341 1.00 42.32 ATOM 333 HG1 ARG 23 -30.169 30.614 4.066 1.00 38.28 ATOM 334 HG2 ARG 23 -30.943 29.049 3.807 1.00 21.31 ATOM 335 CD ARG 23 -31.193 30.432 2.205 1.00 1.41 ATOM 336 HD1 ARG 23 -30.564 31.115 1.647 1.00 38.28 ATOM 337 HD2 ARG 23 -32.025 30.977 2.629 1.00 52.44 ATOM 338 NE ARG 23 -31.712 29.403 1.309 1.00 71.30 ATOM 339 HE ARG 23 -31.703 28.469 1.625 1.00 75.12 ATOM 340 CZ ARG 23 -32.198 29.658 0.099 1.00 11.14 ATOM 341 NH1 ARG 23 -32.231 30.903 -0.356 1.00 62.33 ATOM 342 HH11 ARG 23 -31.900 31.669 0.190 1.00 13.22 ATOM 343 HH12 ARG 23 -32.596 31.084 -1.272 1.00 51.21 ATOM 344 NH2 ARG 23 -32.652 28.667 -0.657 1.00 53.23 ATOM 345 HH21 ARG 23 -32.630 27.724 -0.318 1.00 71.41 ATOM 346 HH22 ARG 23 -33.019 28.857 -1.570 1.00 41.32 ATOM 347 C ARG 23 -26.990 27.956 3.350 1.00 50.43 ATOM 348 O ARG 23 -27.016 26.727 3.281 1.00 52.53 ATOM 349 N ASP 24 -25.968 28.684 2.914 1.00 64.24 ATOM 350 HN ASP 24 -26.003 29.667 2.988 1.00 38.28 ATOM 351 CA ASP 24 -24.789 28.066 2.316 1.00 35.11 ATOM 352 HA ASP 24 -25.119 27.343 1.579 1.00 41.34 ATOM 353 CB ASP 24 -23.932 29.123 1.618 1.00 23.51 ATOM 354 HB1 ASP 24 -23.055 28.652 1.195 1.00 38.28 ATOM 355 HB2 ASP 24 -23.623 29.865 2.340 1.00 11.44 ATOM 356 CG ASP 24 -24.676 29.827 0.501 1.00 14.33 ATOM 357 OD1 ASP 24 -25.197 30.937 0.743 1.00 64.05 ATOM 358 OD2 ASP 24 -24.738 29.270 -0.614 1.00 72.22 ATOM 359 C ASP 24 -23.963 27.338 3.372 1.00 50.23 ATOM 360 O ASP 24 -23.241 26.391 3.063 1.00 31.32 ATOM 361 N GLU 25 -24.074 27.789 4.617 1.00 0.04 ATOM 362 HN GLU 25 -24.649 28.565 4.808 1.00 38.28 ATOM 363 CA GLU 25 -23.335 27.181 5.718 1.00 41.33 ATOM 364 HA GLU 25 -22.278 27.312 5.523 1.00 43.42 ATOM 365 CB GLU 25 -23.697 27.860 7.041 1.00 65.24 ATOM 366 HB1 GLU 25 -23.587 27.158 7.861 1.00 38.28 ATOM 367 HB2 GLU 25 -24.726 28.171 7.001 1.00 71.03 ATOM 368 CG GLU 25 -22.856 29.088 7.344 1.00 4.43 ATOM 369 HG1 GLU 25 -23.387 29.698 8.060 1.00 38.28 ATOM 370 HG2 GLU 25 -22.707 29.657 6.436 1.00 14.43 ATOM 371 CD GLU 25 -21.500 28.738 7.926 1.00 42.10 ATOM 372 OE1 GLU 25 -20.743 29.671 8.270 1.00 75.34 ATOM 373 OE2 GLU 25 -21.195 27.532 8.037 1.00 2.42 ATOM 374 C GLU 25 -23.623 25.685 5.806 1.00 44.24 ATOM 375 O GLU 25 -22.711 24.876 5.976 1.00 4.04 ATOM 376 N ARG 26 -24.897 25.326 5.688 1.00 24.31 ATOM 377 HN ARG 26 -25.588 26.020 5.566 1.00 38.28 ATOM 378 CA ARG 26 -25.305 23.928 5.756 1.00 75.01 ATOM 379 HA ARG 26 -25.112 23.569 6.753 1.00 52.32 ATOM 380 CB ARG 26 -26.799 23.796 5.450 1.00 25.20 ATOM 381 HB1 ARG 26 -26.989 22.822 5.008 1.00 38.28 ATOM 382 HB2 ARG 26 -27.083 24.559 4.739 1.00 74.22 ATOM 383 CG ARG 26 -27.686 23.935 6.676 1.00 30.31 ATOM 384 HG1 ARG 26 -27.673 24.964 7.003 1.00 38.28 ATOM 385 HG2 ARG 26 -27.307 23.300 7.465 1.00 21.34 ATOM 386 CD ARG 26 -29.121 23.531 6.374 1.00 42.52 ATOM 387 HD1 ARG 26 -29.659 23.517 7.311 1.00 38.28 ATOM 388 HD2 ARG 26 -29.130 22.540 5.940 1.00 11.52 ATOM 389 NE ARG 26 -29.770 24.464 5.456 1.00 3.12 ATOM 390 HE ARG 26 -29.197 25.056 4.917 1.00 34.41 ATOM 391 CZ ARG 26 -31.087 24.552 5.308 1.00 42.42 ATOM 392 NH1 ARG 26 -31.891 23.769 6.013 1.00 22.21 ATOM 393 HH11 ARG 26 -31.536 23.101 6.661 1.00 53.11 ATOM 394 HH12 ARG 26 -32.883 23.847 5.895 1.00 13.13 ATOM 395 NH2 ARG 26 -31.602 25.426 4.453 1.00 52.44 ATOM 396 HH21 ARG 26 -31.000 26.021 3.917 1.00 33.13 ATOM 397 HH22 ARG 26 -32.595 25.495 4.339 1.00 33.15 ATOM 398 C ARG 26 -24.498 23.077 4.780 1.00 51.43 ATOM 399 O ARG 26 -24.143 21.937 5.081 1.00 55.54 ATOM 400 N ARG 27 -24.212 23.639 3.610 1.00 42.41 ATOM 401 HN ARG 27 -24.514 24.559 3.427 1.00 38.28 ATOM 402 CA ARG 27 -23.448 22.932 2.589 1.00 11.21 ATOM 403 HA ARG 27 -23.903 21.962 2.434 1.00 23.14 ATOM 404 CB ARG 27 -23.482 23.706 1.270 1.00 65.44 ATOM 405 HB1 ARG 27 -22.952 23.145 0.539 1.00 38.28 ATOM 406 HB2 ARG 27 -22.987 24.656 1.404 1.00 14.40 ATOM 407 CG ARG 27 -24.887 23.976 0.757 1.00 22.15 ATOM 408 HG1 ARG 27 -24.831 24.726 -0.018 1.00 38.28 ATOM 409 HG2 ARG 27 -25.512 24.340 1.558 1.00 15.35 ATOM 410 CD ARG 27 -25.517 22.722 0.171 1.00 45.34 ATOM 411 HD1 ARG 27 -26.527 22.954 -0.135 1.00 38.28 ATOM 412 HD2 ARG 27 -25.542 21.960 0.939 1.00 64.22 ATOM 413 NE ARG 27 -24.773 22.225 -0.984 1.00 2.22 ATOM 414 HE ARG 27 -24.113 22.822 -1.393 1.00 51.41 ATOM 415 CZ ARG 27 -24.968 21.027 -1.523 1.00 64.10 ATOM 416 NH1 ARG 27 -25.878 20.208 -1.015 1.00 61.30 ATOM 417 HH11 ARG 27 -26.433 20.467 -0.228 1.00 1.45 ATOM 418 HH12 ARG 27 -26.015 19.305 -1.428 1.00 14.43 ATOM 419 NH2 ARG 27 -24.251 20.646 -2.573 1.00 52.20 ATOM 420 HH21 ARG 27 -23.571 21.257 -2.967 1.00 12.11 ATOM 421 HH22 ARG 27 -24.392 19.739 -2.975 1.00 13.30 ATOM 422 C ARG 27 -22.003 22.728 3.035 1.00 51.11 ATOM 423 O ARG 27 -21.375 21.725 2.698 1.00 31.24 ATOM 424 N ALA 28 -21.482 23.687 3.794 1.00 54.04 ATOM 425 HN ALA 28 -22.017 24.481 4.010 1.00 38.28 ATOM 426 CA ALA 28 -20.113 23.612 4.287 1.00 63.14 ATOM 427 HA ALA 28 -19.458 23.412 3.447 1.00 44.30 ATOM 428 CB ALA 28 -19.697 24.943 4.894 1.00 3.41 ATOM 429 HB1 ALA 28 -20.268 25.140 5.789 1.00 20.41 ATOM 430 HB2 ALA 28 -19.881 25.725 4.177 1.00 73.44 ATOM 431 HB3 ALA 28 -18.644 24.917 5.136 1.00 31.42 ATOM 432 C ALA 28 -19.958 22.491 5.308 1.00 22.34 ATOM 433 O ALA 28 -19.184 21.554 5.105 1.00 2.23 ATOM 434 N LEU 29 -20.697 22.592 6.407 1.00 34.33 ATOM 435 HN LEU 29 -21.273 23.382 6.517 1.00 38.28 ATOM 436 CA LEU 29 -20.642 21.586 7.462 1.00 23.33 ATOM 437 HA LEU 29 -19.626 21.541 7.830 1.00 23.45 ATOM 438 CB LEU 29 -21.567 21.976 8.616 1.00 54.13 ATOM 439 HB1 LEU 29 -21.066 22.763 9.166 1.00 38.28 ATOM 440 HB2 LEU 29 -21.657 21.124 9.285 1.00 63.22 ATOM 441 CG LEU 29 -22.962 22.464 8.222 1.00 71.54 ATOM 442 HG LEU 29 -23.060 22.498 7.150 1.00 23.01 ATOM 443 CD1 LEU 29 -24.027 21.506 8.733 1.00 23.43 ATOM 444 HD11 LEU 29 -25.004 21.853 8.426 1.00 30.44 ATOM 445 HD12 LEU 29 -23.987 21.457 9.813 1.00 63.54 ATOM 446 HD13 LEU 29 -23.855 20.520 8.323 1.00 61.24 ATOM 447 CD2 LEU 29 -23.206 23.868 8.753 1.00 11.32 ATOM 448 HD21 LEU 29 -24.180 24.215 8.449 1.00 62.52 ATOM 449 HD22 LEU 29 -22.453 24.539 8.367 1.00 70.21 ATOM 450 HD23 LEU 29 -23.153 23.860 9.834 1.00 42.54 ATOM 451 C LEU 29 -21.031 20.212 6.926 1.00 64.13 ATOM 452 O LEU 29 -20.606 19.185 7.455 1.00 53.12 ATOM 453 N ALA 30 -21.839 20.201 5.871 1.00 43.44 ATOM 454 HN ALA 30 -22.186 21.047 5.508 1.00 38.28 ATOM 455 CA ALA 30 -22.281 18.954 5.260 1.00 51.24 ATOM 456 HA ALA 30 -22.681 18.315 6.038 1.00 4.53 ATOM 457 CB ALA 30 -23.396 19.223 4.260 1.00 71.22 ATOM 458 HB1 ALA 30 -24.279 19.545 4.789 1.00 20.01 ATOM 459 HB2 ALA 30 -23.624 18.320 3.707 1.00 52.43 ATOM 460 HB3 ALA 30 -23.086 19.997 3.574 1.00 35.21 ATOM 461 C ALA 30 -21.121 18.234 4.581 1.00 73.15 ATOM 462 O ALA 30 -21.087 17.005 4.528 1.00 32.21 ATOM 463 N MET 31 -20.173 19.007 4.061 1.00 12.02 ATOM 464 HN MET 31 -20.246 19.987 4.122 1.00 38.28 ATOM 465 CA MET 31 -19.011 18.441 3.386 1.00 53.35 ATOM 466 HA MET 31 -19.221 17.416 3.117 1.00 73.04 ATOM 467 CB MET 31 -18.696 19.235 2.116 1.00 75.31 ATOM 468 HB1 MET 31 -17.750 18.901 1.706 1.00 38.28 ATOM 469 HB2 MET 31 -18.613 20.280 2.375 1.00 31.30 ATOM 470 CG MET 31 -19.758 19.100 1.036 1.00 22.31 ATOM 471 HG1 MET 31 -19.503 19.752 0.222 1.00 38.28 ATOM 472 HG2 MET 31 -20.716 19.386 1.441 1.00 74.42 ATOM 473 SD MET 31 -19.878 17.422 0.386 1.00 43.21 ATOM 474 CE MET 31 -18.434 17.366 -0.673 1.00 73.51 ATOM 475 HE1 MET 31 -18.384 16.409 -1.171 1.00 62.01 ATOM 476 HE2 MET 31 -17.559 17.506 -0.072 1.00 13.25 ATOM 477 HE3 MET 31 -18.500 18.154 -1.405 1.00 4.43 ATOM 478 C MET 31 -17.797 18.433 4.308 1.00 24.21 ATOM 479 O MET 31 -16.746 17.891 3.963 1.00 1.55 ATOM 480 N LYS 32 -17.947 19.036 5.482 1.00 1.33 ATOM 481 HN LYS 32 -18.787 19.468 5.714 1.00 38.28 ATOM 482 CA LYS 32 -16.863 19.098 6.456 1.00 71.13 ATOM 483 HA LYS 32 -17.237 19.596 7.338 1.00 3.42 ATOM 484 CB LYS 32 -16.410 17.686 6.836 1.00 54.23 ATOM 485 HB1 LYS 32 -15.775 17.757 7.708 1.00 38.28 ATOM 486 HB2 LYS 32 -15.840 17.253 6.025 1.00 53.21 ATOM 487 CG LYS 32 -17.558 16.747 7.163 1.00 73.24 ATOM 488 HG1 LYS 32 -18.201 16.659 6.301 1.00 38.28 ATOM 489 HG2 LYS 32 -18.125 17.156 7.988 1.00 4.02 ATOM 490 CD LYS 32 -17.057 15.360 7.530 1.00 42.30 ATOM 491 HD1 LYS 32 -16.310 15.041 6.814 1.00 38.28 ATOM 492 HD2 LYS 32 -17.891 14.674 7.505 1.00 13.32 ATOM 493 CE LYS 32 -16.451 15.338 8.925 1.00 12.10 ATOM 494 HE1 LYS 32 -17.130 15.820 9.617 1.00 38.28 ATOM 495 HE2 LYS 32 -15.516 15.877 8.906 1.00 60.42 ATOM 496 NZ LYS 32 -16.197 13.949 9.397 1.00 25.11 ATOM 497 HZ1 LYS 32 -17.087 13.409 9.431 1.00 72.42 ATOM 498 HZ2 LYS 32 -15.784 13.969 10.351 1.00 43.33 ATOM 499 HZ3 LYS 32 -15.533 13.465 8.757 1.00 35.04 ATOM 500 C LYS 32 -15.682 19.891 5.906 1.00 60.04 ATOM 501 O LYS 32 -14.586 19.355 5.739 1.00 72.31 ATOM 502 N ILE 33 -15.912 21.170 5.627 1.00 32.40 ATOM 503 HN ILE 33 -16.809 21.548 5.792 1.00 38.28 ATOM 504 CA ILE 33 -14.866 22.036 5.098 1.00 0.15 ATOM 505 HA ILE 33 -14.287 21.447 4.406 1.00 73.45 ATOM 506 CB ILE 33 -15.460 23.234 4.335 1.00 41.42 ATOM 507 HB ILE 33 -16.036 23.832 5.028 1.00 71.53 ATOM 508 CG1 ILE 33 -16.383 22.747 3.216 1.00 41.21 ATOM 509 HG11 ILE 33 -16.793 23.601 2.694 1.00 38.28 ATOM 510 HG12 ILE 33 -17.194 22.176 3.643 1.00 53.44 ATOM 511 CG2 ILE 33 -14.348 24.106 3.770 1.00 53.11 ATOM 512 HG21 ILE 33 -13.731 24.465 4.558 1.00 41.44 ATOM 513 HG22 ILE 33 -14.783 24.952 3.257 1.00 24.32 ATOM 514 HG23 ILE 33 -13.749 23.547 3.074 1.00 10.43 ATOM 515 CD1 ILE 33 -15.687 21.872 2.197 1.00 34.20 ATOM 516 HD11 ILE 33 -16.390 21.617 1.418 1.00 12.51 ATOM 517 HD12 ILE 33 -15.339 20.965 2.663 1.00 14.12 ATOM 518 HD13 ILE 33 -14.855 22.396 1.758 1.00 4.04 ATOM 519 C ILE 33 -13.966 22.555 6.215 1.00 63.34 ATOM 520 O ILE 33 -14.431 23.023 7.254 1.00 44.42 ATOM 521 N PRO 34 -12.645 22.471 5.996 1.00 1.43 ATOM 522 CA PRO 34 -11.651 22.930 6.971 1.00 21.34 ATOM 523 HA PRO 34 -11.812 22.484 7.942 1.00 41.33 ATOM 524 CB PRO 34 -10.326 22.429 6.390 1.00 35.30 ATOM 525 HB1 PRO 34 -10.090 21.467 6.819 1.00 38.28 ATOM 526 HB2 PRO 34 -9.523 23.124 6.603 1.00 64.22 ATOM 527 CG PRO 34 -10.575 22.313 4.926 1.00 50.43 ATOM 528 HG1 PRO 34 -9.940 21.547 4.507 1.00 38.28 ATOM 529 HG2 PRO 34 -10.387 23.247 4.453 1.00 14.03 ATOM 530 CD PRO 34 -12.020 21.924 4.780 1.00 12.04 ATOM 531 HD1 PRO 34 -12.116 20.848 4.749 1.00 38.28 ATOM 532 HD2 PRO 34 -12.419 22.357 3.891 1.00 73.32 ATOM 533 C PRO 34 -11.631 24.448 7.109 1.00 15.24 ATOM 534 O PRO 34 -11.513 24.980 8.214 1.00 64.24 ATOM 535 N PHE 35 -11.749 25.142 5.982 1.00 74.20 ATOM 536 HN PHE 35 -11.876 24.666 5.147 1.00 38.28 ATOM 537 CA PHE 35 -11.745 26.600 5.977 1.00 1.04 ATOM 538 HA PHE 35 -11.259 26.937 6.883 1.00 24.00 ATOM 539 CB PHE 35 -10.946 27.125 4.783 1.00 73.15 ATOM 540 HB1 PHE 35 -9.897 26.922 4.956 1.00 38.28 ATOM 541 HB2 PHE 35 -11.076 28.195 4.693 1.00 73.14 ATOM 542 CG PHE 35 -11.338 26.495 3.477 1.00 64.35 ATOM 543 CD1 PHE 35 -10.658 25.387 2.995 1.00 4.53 ATOM 544 HD1 PHE 35 -9.833 24.982 3.561 1.00 11.45 ATOM 545 CD2 PHE 35 -12.386 27.009 2.730 1.00 3.04 ATOM 546 HD2 PHE 35 -12.925 27.872 3.091 1.00 32.35 ATOM 547 CE1 PHE 35 -11.015 24.806 1.793 1.00 13.25 ATOM 548 HE1 PHE 35 -10.475 23.945 1.436 1.00 2.35 ATOM 549 CE2 PHE 35 -12.748 26.432 1.528 1.00 72.30 ATOM 550 HE2 PHE 35 -13.557 26.833 0.957 1.00 45.51 ATOM 551 CZ PHE 35 -12.063 25.328 1.060 1.00 45.15 ATOM 552 HZ PHE 35 -12.340 24.879 0.122 1.00 24.02 ATOM 553 C PHE 35 -13.168 27.148 5.933 1.00 52.24 ATOM 554 O PHE 35 -14.101 26.487 5.477 1.00 32.51 ATOM 555 N PRO 36 -13.340 28.387 6.417 1.00 31.03 ATOM 556 CA PRO 36 -14.646 29.052 6.444 1.00 10.32 ATOM 557 HA PRO 36 -15.389 28.441 6.939 1.00 72.05 ATOM 558 CB PRO 36 -14.385 30.312 7.273 1.00 11.42 ATOM 559 HB1 PRO 36 -14.626 30.114 8.307 1.00 38.28 ATOM 560 HB2 PRO 36 -14.985 31.141 6.916 1.00 63.33 ATOM 561 CG PRO 36 -12.929 30.580 7.107 1.00 11.24 ATOM 562 HG1 PRO 36 -12.548 31.100 7.973 1.00 38.28 ATOM 563 HG2 PRO 36 -12.770 31.158 6.224 1.00 4.00 ATOM 564 CD PRO 36 -12.273 29.234 6.976 1.00 23.30 ATOM 565 HD1 PRO 36 -11.962 28.872 7.945 1.00 38.28 ATOM 566 HD2 PRO 36 -11.431 29.304 6.314 1.00 50.34 ATOM 567 C PRO 36 -15.136 29.425 5.049 1.00 63.31 ATOM 568 O PRO 36 -14.340 29.593 4.124 1.00 30.11 ATOM 569 N THR 37 -16.451 29.553 4.903 1.00 61.22 ATOM 570 HN THR 37 -17.034 29.437 5.690 1.00 38.28 ATOM 571 CA THR 37 -17.047 29.905 3.620 1.00 22.41 ATOM 572 HA THR 37 -16.598 29.293 2.862 1.00 43.03 ATOM 573 CB THR 37 -18.564 29.637 3.613 1.00 64.51 ATOM 574 HB THR 37 -18.932 29.760 2.603 1.00 12.24 ATOM 575 OG1 THR 37 -19.230 30.568 4.472 1.00 2.23 ATOM 576 HG1 THR 37 -20.143 30.671 4.191 1.00 72.24 ATOM 577 CG2 THR 37 -18.864 28.216 4.066 1.00 32.13 ATOM 578 HG21 THR 37 -19.922 28.025 3.962 1.00 1.32 ATOM 579 HG22 THR 37 -18.582 28.094 5.100 1.00 23.22 ATOM 580 HG23 THR 37 -18.313 27.513 3.456 1.00 21.44 ATOM 581 C THR 37 -16.800 31.370 3.283 1.00 44.53 ATOM 582 O THR 37 -16.559 31.719 2.127 1.00 40.22 ATOM 583 N ASP 38 -16.860 32.225 4.298 1.00 21.33 ATOM 584 HN ASP 38 -17.057 31.885 5.202 1.00 38.28 ATOM 585 CA ASP 38 -16.641 33.654 4.109 1.00 23.03 ATOM 586 HA ASP 38 -17.422 34.030 3.463 1.00 4.44 ATOM 587 CB ASP 38 -16.716 34.385 5.451 1.00 72.04 ATOM 588 HB1 ASP 38 -16.619 35.449 5.284 1.00 38.28 ATOM 589 HB2 ASP 38 -15.908 34.050 6.087 1.00 74.14 ATOM 590 CG ASP 38 -18.023 34.131 6.176 1.00 72.23 ATOM 591 OD1 ASP 38 -18.208 33.007 6.687 1.00 35.12 ATOM 592 OD2 ASP 38 -18.861 35.055 6.231 1.00 51.42 ATOM 593 C ASP 38 -15.290 33.914 3.450 1.00 60.05 ATOM 594 O ASP 38 -15.141 34.848 2.661 1.00 33.21 ATOM 595 N LYS 39 -14.307 33.082 3.778 1.00 11.50 ATOM 596 HN LYS 39 -14.475 32.358 4.425 1.00 38.28 ATOM 597 CA LYS 39 -12.968 33.221 3.218 1.00 21.02 ATOM 598 HA LYS 39 -12.654 34.246 3.333 1.00 10.20 ATOM 599 CB LYS 39 -11.982 32.327 3.974 1.00 40.12 ATOM 600 HB1 LYS 39 -12.306 31.298 3.900 1.00 38.28 ATOM 601 HB2 LYS 39 -11.994 32.628 5.012 1.00 53.13 ATOM 602 CG LYS 39 -10.556 32.424 3.460 1.00 71.25 ATOM 603 HG1 LYS 39 -10.344 33.445 3.186 1.00 38.28 ATOM 604 HG2 LYS 39 -10.478 31.792 2.592 1.00 15.41 ATOM 605 CD LYS 39 -9.555 31.943 4.497 1.00 73.53 ATOM 606 HD1 LYS 39 -8.904 31.216 4.033 1.00 38.28 ATOM 607 HD2 LYS 39 -10.072 31.477 5.328 1.00 30.32 ATOM 608 CE LYS 39 -8.703 33.087 5.022 1.00 45.44 ATOM 609 HE1 LYS 39 -9.260 34.015 4.973 1.00 38.28 ATOM 610 HE2 LYS 39 -7.820 33.170 4.408 1.00 3.33 ATOM 611 NZ LYS 39 -8.285 32.866 6.434 1.00 63.23 ATOM 612 HZ1 LYS 39 -7.704 33.665 6.761 1.00 11.03 ATOM 613 HZ2 LYS 39 -7.724 31.993 6.514 1.00 73.53 ATOM 614 HZ3 LYS 39 -9.121 32.786 7.051 1.00 20.45 ATOM 615 C LYS 39 -12.959 32.865 1.735 1.00 42.41 ATOM 616 O LYS 39 -12.109 33.338 0.979 1.00 30.23 ATOM 617 N ILE 40 -13.909 32.032 1.325 1.00 12.21 ATOM 618 HN ILE 40 -14.555 31.684 1.966 1.00 38.28 ATOM 619 CA ILE 40 -14.011 31.616 -0.068 1.00 51.42 ATOM 620 HA ILE 40 -13.048 31.223 -0.376 1.00 52.32 ATOM 621 CB ILE 40 -15.064 30.507 -0.249 1.00 54.42 ATOM 622 HB ILE 40 -16.027 30.898 0.034 1.00 52.25 ATOM 623 CG1 ILE 40 -14.729 29.306 0.636 1.00 24.42 ATOM 624 HG11 ILE 40 -14.624 29.624 1.661 1.00 38.28 ATOM 625 HG12 ILE 40 -13.798 28.870 0.307 1.00 13.44 ATOM 626 CG2 ILE 40 -15.148 30.089 -1.710 1.00 1.54 ATOM 627 HG21 ILE 40 -14.980 29.029 -1.822 1.00 74.12 ATOM 628 HG22 ILE 40 -14.426 30.610 -2.308 1.00 73.13 ATOM 629 HG23 ILE 40 -16.136 30.321 -2.078 1.00 73.32 ATOM 630 CD1 ILE 40 -15.784 28.222 0.610 1.00 10.32 ATOM 631 HD11 ILE 40 -15.818 27.765 -0.360 1.00 62.23 ATOM 632 HD12 ILE 40 -16.749 28.653 0.829 1.00 24.45 ATOM 633 HD13 ILE 40 -15.553 27.475 1.353 1.00 74.15 ATOM 634 C ILE 40 -14.369 32.794 -0.968 1.00 73.15 ATOM 635 O ILE 40 -13.912 32.880 -2.108 1.00 65.11 ATOM 636 N VAL 41 -15.190 33.701 -0.448 1.00 41.35 ATOM 637 HN VAL 41 -15.544 33.580 0.463 1.00 38.28 ATOM 638 CA VAL 41 -15.608 34.876 -1.204 1.00 4.42 ATOM 639 HA VAL 41 -15.487 34.674 -2.264 1.00 5.13 ATOM 640 CB VAL 41 -17.091 35.207 -0.953 1.00 21.23 ATOM 641 HB VAL 41 -17.207 35.529 0.074 1.00 33.13 ATOM 642 CG1 VAL 41 -17.546 36.340 -1.859 1.00 54.31 ATOM 643 HG11 VAL 41 -17.332 36.094 -2.890 1.00 32.13 ATOM 644 HG12 VAL 41 -17.035 37.252 -1.593 1.00 53.50 ATOM 645 HG13 VAL 41 -18.611 36.491 -1.745 1.00 70.33 ATOM 646 CG2 VAL 41 -17.954 33.971 -1.157 1.00 24.44 ATOM 647 HG21 VAL 41 -18.972 34.210 -0.903 1.00 13.33 ATOM 648 HG22 VAL 41 -17.614 33.168 -0.518 1.00 51.10 ATOM 649 HG23 VAL 41 -17.904 33.658 -2.188 1.00 4.13 ATOM 650 C VAL 41 -14.760 36.091 -0.844 1.00 3.13 ATOM 651 O VAL 41 -14.589 37.003 -1.652 1.00 21.14 ATOM 652 N ASN 42 -14.230 36.096 0.375 1.00 22.32 ATOM 653 HN ASN 42 -14.406 35.348 0.989 1.00 38.28 ATOM 654 CA ASN 42 -13.399 37.199 0.843 1.00 3.02 ATOM 655 HA ASN 42 -13.909 38.129 0.614 1.00 4.31 ATOM 656 CB ASN 42 -13.184 37.098 2.355 1.00 60.33 ATOM 657 HB1 ASN 42 -12.237 37.553 2.621 1.00 38.28 ATOM 658 HB2 ASN 42 -13.164 36.071 2.652 1.00 44.51 ATOM 659 CG ASN 42 -14.267 37.810 3.142 1.00 51.14 ATOM 660 OD1 ASN 42 -13.981 38.545 4.087 1.00 34.11 ATOM 661 ND2 ASN 42 -15.519 37.595 2.754 1.00 63.15 ATOM 662 HD21 ASN 42 -15.708 36.999 2.005 1.00 73.00 ATOM 663 HD22 ASN 42 -16.226 38.058 3.251 1.00 4.43 ATOM 664 C ASN 42 -12.052 37.208 0.126 1.00 20.44 ATOM 665 O ASN 42 -11.593 38.250 -0.343 1.00 24.21 ATOM 666 N LEU 43 -11.424 36.040 0.045 1.00 70.11 ATOM 667 HN LEU 43 -11.839 35.238 0.445 1.00 38.28 ATOM 668 CA LEU 43 -10.130 35.912 -0.616 1.00 24.35 ATOM 669 HA LEU 43 -9.467 36.619 -0.147 1.00 74.32 ATOM 670 CB LEU 43 -9.585 34.493 -0.443 1.00 32.41 ATOM 671 HB1 LEU 43 -8.902 34.272 -1.254 1.00 38.28 ATOM 672 HB2 LEU 43 -10.414 33.808 -0.529 1.00 63.40 ATOM 673 CG LEU 43 -8.856 34.209 0.871 1.00 34.50 ATOM 674 HG LEU 43 -9.502 34.472 1.690 1.00 74.33 ATOM 675 CD1 LEU 43 -8.517 32.731 0.984 1.00 23.53 ATOM 676 HD11 LEU 43 -8.108 32.528 1.963 1.00 24.41 ATOM 677 HD12 LEU 43 -7.790 32.465 0.229 1.00 2.23 ATOM 678 HD13 LEU 43 -9.409 32.141 0.839 1.00 0.34 ATOM 679 CD2 LEU 43 -7.597 35.057 0.977 1.00 74.32 ATOM 680 HD21 LEU 43 -7.122 34.873 1.931 1.00 65.30 ATOM 681 HD22 LEU 43 -7.843 36.104 0.908 1.00 15.11 ATOM 682 HD23 LEU 43 -6.911 34.793 0.186 1.00 34.54 ATOM 683 C LEU 43 -10.239 36.249 -2.099 1.00 13.51 ATOM 684 O LEU 43 -11.318 36.209 -2.692 1.00 5.32 ATOM 685 N PRO 44 -9.097 36.589 -2.715 1.00 31.31 ATOM 686 CA PRO 44 -9.038 36.937 -4.138 1.00 12.25 ATOM 687 HA PRO 44 -9.743 37.718 -4.385 1.00 52.51 ATOM 688 CB PRO 44 -7.610 37.459 -4.316 1.00 53.01 ATOM 689 HB1 PRO 44 -7.606 38.532 -4.201 1.00 38.28 ATOM 690 HB2 PRO 44 -7.223 37.201 -5.295 1.00 4.11 ATOM 691 CG PRO 44 -6.829 36.804 -3.230 1.00 10.23 ATOM 692 HG1 PRO 44 -5.982 37.415 -2.956 1.00 38.28 ATOM 693 HG2 PRO 44 -6.514 35.855 -3.576 1.00 3.33 ATOM 694 CD PRO 44 -7.775 36.657 -2.070 1.00 40.40 ATOM 695 HD1 PRO 44 -7.708 37.513 -1.415 1.00 38.28 ATOM 696 HD2 PRO 44 -7.549 35.767 -1.544 1.00 24.11 ATOM 697 C PRO 44 -9.282 35.733 -5.040 1.00 62.51 ATOM 698 O PRO 44 -9.373 34.599 -4.568 1.00 41.04 ATOM 699 N VAL 45 -9.386 35.985 -6.341 1.00 71.10 ATOM 700 HN VAL 45 -9.309 36.916 -6.657 1.00 38.28 ATOM 701 CA VAL 45 -9.618 34.920 -7.310 1.00 45.51 ATOM 702 HA VAL 45 -10.454 34.322 -6.960 1.00 33.13 ATOM 703 CB VAL 45 -9.976 35.491 -8.695 1.00 74.22 ATOM 704 HB VAL 45 -10.789 36.192 -8.574 1.00 5.30 ATOM 705 CG1 VAL 45 -8.791 36.236 -9.290 1.00 30.15 ATOM 706 HG11 VAL 45 -8.410 36.956 -8.580 1.00 44.11 ATOM 707 HG12 VAL 45 -9.115 36.758 -10.178 1.00 73.22 ATOM 708 HG13 VAL 45 -8.005 35.544 -9.557 1.00 1.44 ATOM 709 CG2 VAL 45 -10.439 34.379 -9.625 1.00 44.11 ATOM 710 HG21 VAL 45 -10.791 34.813 -10.550 1.00 61.52 ATOM 711 HG22 VAL 45 -11.247 33.828 -9.163 1.00 52.23 ATOM 712 HG23 VAL 45 -9.621 33.706 -9.838 1.00 41.51 ATOM 713 C VAL 45 -8.392 34.023 -7.444 1.00 53.20 ATOM 714 O VAL 45 -8.503 32.856 -7.820 1.00 41.35 ATOM 715 N ASP 46 -7.225 34.575 -7.133 1.00 1.40 ATOM 716 HN ASP 46 -7.187 35.516 -6.845 1.00 38.28 ATOM 717 CA ASP 46 -5.977 33.825 -7.217 1.00 34.42 ATOM 718 HA ASP 46 -6.015 33.210 -8.111 1.00 43.10 ATOM 719 CB ASP 46 -4.788 34.781 -7.315 1.00 64.42 ATOM 720 HB1 ASP 46 -4.427 35.051 -6.332 1.00 38.28 ATOM 721 HB2 ASP 46 -5.102 35.681 -7.826 1.00 41.45 ATOM 722 CG ASP 46 -3.633 34.189 -8.100 1.00 11.12 ATOM 723 OD1 ASP 46 -2.928 34.957 -8.789 1.00 33.45 ATOM 724 OD2 ASP 46 -3.434 32.959 -8.024 1.00 63.24 ATOM 725 C ASP 46 -5.812 32.909 -6.008 1.00 2.33 ATOM 726 O ASP 46 -5.756 31.687 -6.145 1.00 1.11 ATOM 727 N ASP 47 -5.733 33.509 -4.825 1.00 22.21 ATOM 728 HN ASP 47 -5.793 34.486 -4.784 1.00 38.28 ATOM 729 CA ASP 47 -5.573 32.748 -3.591 1.00 74.21 ATOM 730 HA ASP 47 -4.607 32.264 -3.620 1.00 3.20 ATOM 731 CB ASP 47 -5.626 33.681 -2.381 1.00 1.23 ATOM 732 HB1 ASP 47 -5.503 33.099 -1.477 1.00 38.28 ATOM 733 HB2 ASP 47 -6.581 34.171 -2.355 1.00 0.23 ATOM 734 CG ASP 47 -4.535 34.734 -2.413 1.00 72.43 ATOM 735 OD1 ASP 47 -4.554 35.634 -1.548 1.00 62.22 ATOM 736 OD2 ASP 47 -3.663 34.658 -3.305 1.00 33.45 ATOM 737 C ASP 47 -6.653 31.676 -3.470 1.00 44.42 ATOM 738 O ASP 47 -6.419 30.606 -2.908 1.00 52.03 ATOM 739 N PHE 48 -7.835 31.972 -4.000 1.00 42.20 ATOM 740 HN PHE 48 -7.982 32.856 -4.408 1.00 38.28 ATOM 741 CA PHE 48 -8.951 31.035 -3.950 1.00 11.33 ATOM 742 HA PHE 48 -9.104 30.744 -2.919 1.00 2.54 ATOM 743 CB PHE 48 -10.228 31.702 -4.465 1.00 40.34 ATOM 744 HB1 PHE 48 -10.018 32.167 -5.420 1.00 38.28 ATOM 745 HB2 PHE 48 -10.531 32.464 -3.761 1.00 73.51 ATOM 746 CG PHE 48 -11.377 30.750 -4.631 1.00 33.54 ATOM 747 CD1 PHE 48 -12.027 30.632 -5.849 1.00 30.32 ATOM 748 HD1 PHE 48 -11.703 31.232 -6.689 1.00 71.04 ATOM 749 CD2 PHE 48 -11.808 29.971 -3.568 1.00 45.31 ATOM 750 HD2 PHE 48 -11.311 30.051 -2.611 1.00 43.12 ATOM 751 CE1 PHE 48 -13.085 29.756 -6.003 1.00 53.41 ATOM 752 HE1 PHE 48 -13.582 29.669 -6.957 1.00 11.42 ATOM 753 CE2 PHE 48 -12.865 29.094 -3.717 1.00 31.23 ATOM 754 HE2 PHE 48 -13.183 28.510 -2.882 1.00 63.32 ATOM 755 CZ PHE 48 -13.504 28.986 -4.936 1.00 71.52 ATOM 756 HZ PHE 48 -14.330 28.302 -5.054 1.00 41.23 ATOM 757 C PHE 48 -8.649 29.785 -4.771 1.00 55.31 ATOM 758 O PHE 48 -8.839 28.663 -4.305 1.00 22.23 ATOM 759 N ASN 49 -8.179 29.989 -5.997 1.00 53.54 ATOM 760 HN ASN 49 -8.053 30.914 -6.319 1.00 38.28 ATOM 761 CA ASN 49 -7.852 28.880 -6.885 1.00 73.42 ATOM 762 HA ASN 49 -8.752 28.299 -7.043 1.00 72.50 ATOM 763 CB ASN 49 -7.346 29.407 -8.229 1.00 64.42 ATOM 764 HB1 ASN 49 -6.830 28.616 -8.761 1.00 38.28 ATOM 765 HB2 ASN 49 -6.655 30.219 -8.052 1.00 21.54 ATOM 766 CG ASN 49 -8.470 29.906 -9.116 1.00 33.24 ATOM 767 OD1 ASN 49 -9.567 29.346 -9.120 1.00 40.41 ATOM 768 ND2 ASN 49 -8.202 30.964 -9.872 1.00 72.20 ATOM 769 HD21 ASN 49 -7.307 31.371 -9.827 1.00 34.32 ATOM 770 HD22 ASN 49 -8.916 31.302 -10.452 1.00 65.21 ATOM 771 C ASN 49 -6.802 27.970 -6.255 1.00 34.24 ATOM 772 O ASN 49 -6.808 26.758 -6.469 1.00 51.20 ATOM 773 N GLU 50 -5.903 28.564 -5.476 1.00 33.41 ATOM 774 HN GLU 50 -5.939 29.539 -5.339 1.00 38.28 ATOM 775 CA GLU 50 -4.847 27.806 -4.815 1.00 13.15 ATOM 776 HA GLU 50 -4.551 26.985 -5.461 1.00 74.42 ATOM 777 CB GLU 50 -3.630 28.699 -4.562 1.00 73.42 ATOM 778 HB1 GLU 50 -2.989 28.241 -3.816 1.00 38.28 ATOM 779 HB2 GLU 50 -3.974 29.651 -4.181 1.00 62.42 ATOM 780 CG GLU 50 -2.804 28.967 -5.808 1.00 43.35 ATOM 781 HG1 GLU 50 -2.193 29.840 -5.631 1.00 38.28 ATOM 782 HG2 GLU 50 -3.465 29.160 -6.643 1.00 15.43 ATOM 783 CD GLU 50 -1.893 27.809 -6.165 1.00 62.23 ATOM 784 OE1 GLU 50 -1.812 27.466 -7.364 1.00 30.35 ATOM 785 OE2 GLU 50 -1.261 27.245 -5.247 1.00 53.23 ATOM 786 C GLU 50 -5.343 27.219 -3.496 1.00 70.33 ATOM 787 O GLU 50 -4.821 26.211 -3.017 1.00 1.20 ATOM 788 N LEU 51 -6.353 27.855 -2.915 1.00 15.43 ATOM 789 HN LEU 51 -6.710 28.672 -3.319 1.00 38.28 ATOM 790 CA LEU 51 -6.921 27.397 -1.651 1.00 43.41 ATOM 791 HA LEU 51 -6.121 27.311 -0.933 1.00 34.41 ATOM 792 CB LEU 51 -7.934 28.416 -1.125 1.00 62.32 ATOM 793 HB1 LEU 51 -8.696 28.539 -1.882 1.00 38.28 ATOM 794 HB2 LEU 51 -7.426 29.364 -1.006 1.00 32.54 ATOM 795 CG LEU 51 -8.621 28.060 0.194 1.00 64.43 ATOM 796 HG LEU 51 -8.980 27.045 0.160 1.00 51.42 ATOM 797 CD1 LEU 51 -7.640 28.166 1.352 1.00 74.14 ATOM 798 HD11 LEU 51 -6.806 27.499 1.182 1.00 55.14 ATOM 799 HD12 LEU 51 -8.134 27.888 2.273 1.00 12.34 ATOM 800 HD13 LEU 51 -7.277 29.182 1.432 1.00 4.13 ATOM 801 CD2 LEU 51 -9.825 28.960 0.428 1.00 71.32 ATOM 802 HD21 LEU 51 -10.525 28.849 -0.389 1.00 51.14 ATOM 803 HD22 LEU 51 -9.505 29.990 0.487 1.00 64.31 ATOM 804 HD23 LEU 51 -10.312 28.682 1.353 1.00 74.43 ATOM 805 C LEU 51 -7.589 26.036 -1.816 1.00 13.41 ATOM 806 O LEU 51 -7.703 25.269 -0.859 1.00 61.55 ATOM 807 N LEU 52 -8.029 25.743 -3.035 1.00 24.33 ATOM 808 HN LEU 52 -7.937 26.400 -3.762 1.00 38.28 ATOM 809 CA LEU 52 -8.684 24.473 -3.326 1.00 72.53 ATOM 810 HA LEU 52 -9.444 24.311 -2.578 1.00 61.41 ATOM 811 CB LEU 52 -9.351 24.524 -4.702 1.00 44.12 ATOM 812 HB1 LEU 52 -9.686 23.533 -4.956 1.00 38.28 ATOM 813 HB2 LEU 52 -8.592 24.815 -5.417 1.00 33.40 ATOM 814 CG LEU 52 -10.536 25.481 -4.839 1.00 22.44 ATOM 815 HG LEU 52 -10.276 26.434 -4.400 1.00 33.11 ATOM 816 CD1 LEU 52 -10.865 25.717 -6.304 1.00 42.33 ATOM 817 HD11 LEU 52 -11.139 24.782 -6.773 1.00 72.31 ATOM 818 HD12 LEU 52 -10.002 26.130 -6.807 1.00 34.00 ATOM 819 HD13 LEU 52 -11.689 26.413 -6.384 1.00 42.43 ATOM 820 CD2 LEU 52 -11.749 24.936 -4.099 1.00 21.40 ATOM 821 HD21 LEU 52 -11.982 23.944 -4.460 1.00 2.23 ATOM 822 HD22 LEU 52 -12.592 25.583 -4.274 1.00 64.43 ATOM 823 HD23 LEU 52 -11.536 24.893 -3.042 1.00 22.32 ATOM 824 C LEU 52 -7.686 23.320 -3.275 1.00 12.12 ATOM 825 O LEU 52 -7.987 22.248 -2.750 1.00 51.51 ATOM 826 N ALA 53 -6.497 23.549 -3.821 1.00 43.54 ATOM 827 HN ALA 53 -6.308 24.427 -4.229 1.00 38.28 ATOM 828 CA ALA 53 -5.453 22.532 -3.834 1.00 1.21 ATOM 829 HA ALA 53 -5.917 21.557 -3.933 1.00 22.22 ATOM 830 CB ALA 53 -4.538 22.729 -5.034 1.00 13.33 ATOM 831 HB1 ALA 53 -5.127 22.708 -5.939 1.00 5.11 ATOM 832 HB2 ALA 53 -3.804 21.936 -5.066 1.00 44.14 ATOM 833 HB3 ALA 53 -4.036 23.683 -4.956 1.00 14.32 ATOM 834 C ALA 53 -4.645 22.558 -2.541 1.00 13.33 ATOM 835 O ALA 53 -4.054 21.553 -2.147 1.00 3.11 ATOM 836 N ARG 54 -4.624 23.714 -1.885 1.00 14.02 ATOM 837 HN ARG 54 -5.100 24.493 -2.253 1.00 38.28 ATOM 838 CA ARG 54 -3.887 23.871 -0.637 1.00 34.02 ATOM 839 HA ARG 54 -2.858 23.582 -0.816 1.00 11.21 ATOM 840 CB ARG 54 -3.934 25.328 -0.172 1.00 35.44 ATOM 841 HB1 ARG 54 -4.021 25.354 0.910 1.00 38.28 ATOM 842 HB2 ARG 54 -4.798 25.809 -0.592 1.00 53.13 ATOM 843 CG ARG 54 -2.705 26.132 -0.562 1.00 20.54 ATOM 844 HG1 ARG 54 -2.776 26.395 -1.607 1.00 38.28 ATOM 845 HG2 ARG 54 -1.818 25.535 -0.398 1.00 33.34 ATOM 846 CD ARG 54 -2.589 27.406 0.260 1.00 53.24 ATOM 847 HD1 ARG 54 -2.676 27.170 1.313 1.00 38.28 ATOM 848 HD2 ARG 54 -3.401 28.062 -0.020 1.00 22.21 ATOM 849 NE ARG 54 -1.328 28.102 0.016 1.00 33.43 ATOM 850 HE ARG 54 -1.350 28.878 -0.586 1.00 55.21 ATOM 851 CZ ARG 54 -0.172 27.740 0.562 1.00 75.22 ATOM 852 NH1 ARG 54 -0.118 26.696 1.377 1.00 74.51 ATOM 853 HH11 ARG 54 -0.929 26.160 1.597 1.00 13.43 ATOM 854 HH12 ARG 54 0.759 26.434 1.786 1.00 14.44 ATOM 855 NH2 ARG 54 0.933 28.423 0.292 1.00 74.13 ATOM 856 HH21 ARG 54 0.899 29.213 -0.324 1.00 72.55 ATOM 857 HH22 ARG 54 1.806 28.152 0.703 1.00 72.02 ATOM 858 C ARG 54 -4.455 22.961 0.448 1.00 33.32 ATOM 859 O ARG 54 -3.713 22.403 1.257 1.00 44.52 ATOM 860 N TYR 55 -5.776 22.815 0.460 1.00 44.24 ATOM 861 HN TYR 55 -6.329 23.282 -0.208 1.00 38.28 ATOM 862 CA TYR 55 -6.443 21.975 1.447 1.00 55.33 ATOM 863 HA TYR 55 -5.750 21.792 2.260 1.00 11.53 ATOM 864 CB TYR 55 -7.676 22.689 2.005 1.00 44.41 ATOM 865 HB1 TYR 55 -8.349 21.972 2.458 1.00 38.28 ATOM 866 HB2 TYR 55 -8.196 23.174 1.188 1.00 50.11 ATOM 867 CG TYR 55 -7.348 23.746 3.035 1.00 1.42 ATOM 868 CD1 TYR 55 -7.562 23.516 4.388 1.00 22.24 ATOM 869 HD1 TYR 55 -7.957 22.564 4.704 1.00 21.23 ATOM 870 CD2 TYR 55 -6.823 24.976 2.655 1.00 33.31 ATOM 871 HD2 TYR 55 -6.649 25.175 1.607 1.00 61.14 ATOM 872 CE1 TYR 55 -7.265 24.479 5.333 1.00 44.01 ATOM 873 HE1 TYR 55 -7.439 24.280 6.380 1.00 5.13 ATOM 874 CE2 TYR 55 -6.522 25.944 3.593 1.00 43.42 ATOM 875 HE2 TYR 55 -6.114 26.893 3.278 1.00 3.11 ATOM 876 CZ TYR 55 -6.745 25.691 4.930 1.00 4.53 ATOM 877 OH TYR 55 -6.446 26.653 5.868 1.00 2.12 ATOM 878 HH TYR 55 -7.095 27.362 5.828 1.00 61.54 ATOM 879 C TYR 55 -6.850 20.637 0.838 1.00 61.15 ATOM 880 O TYR 55 -6.996 20.497 -0.377 1.00 25.10 ATOM 881 N PRO 56 -7.039 19.628 1.701 1.00 25.01 ATOM 882 CA PRO 56 -7.432 18.282 1.273 1.00 50.44 ATOM 883 HA PRO 56 -6.764 17.895 0.517 1.00 43.25 ATOM 884 CB PRO 56 -7.299 17.450 2.550 1.00 1.24 ATOM 885 HB1 PRO 56 -6.316 17.005 2.579 1.00 38.28 ATOM 886 HB2 PRO 56 -8.045 16.666 2.591 1.00 4.54 ATOM 887 CG PRO 56 -7.467 18.430 3.660 1.00 42.11 ATOM 888 HG1 PRO 56 -6.932 18.090 4.535 1.00 38.28 ATOM 889 HG2 PRO 56 -8.516 18.554 3.885 1.00 51.21 ATOM 890 CD PRO 56 -6.883 19.723 3.162 1.00 4.32 ATOM 891 HD1 PRO 56 -5.840 19.793 3.434 1.00 38.28 ATOM 892 HD2 PRO 56 -7.433 20.548 3.571 1.00 1.32 ATOM 893 C PRO 56 -8.865 18.235 0.753 1.00 1.41 ATOM 894 O PRO 56 -9.781 17.824 1.466 1.00 74.11 ATOM 895 N LEU 57 -9.052 18.658 -0.492 1.00 41.41 ATOM 896 HN LEU 57 -8.284 18.972 -1.022 1.00 38.28 ATOM 897 CA LEU 57 -10.374 18.664 -1.108 1.00 34.01 ATOM 898 HA LEU 57 -11.104 18.364 -0.376 1.00 34.14 ATOM 899 CB LEU 57 -10.730 20.073 -1.587 1.00 23.41 ATOM 900 HB1 LEU 57 -11.756 20.066 -1.930 1.00 38.28 ATOM 901 HB2 LEU 57 -10.086 20.317 -2.417 1.00 75.22 ATOM 902 CG LEU 57 -10.569 21.192 -0.558 1.00 1.03 ATOM 903 HG LEU 57 -9.521 21.309 -0.325 1.00 3.25 ATOM 904 CD1 LEU 57 -11.074 22.511 -1.121 1.00 5.51 ATOM 905 HD11 LEU 57 -10.863 23.307 -0.438 1.00 63.03 ATOM 906 HD12 LEU 57 -12.135 22.445 -1.285 1.00 50.23 ATOM 907 HD13 LEU 57 -10.586 22.709 -2.062 1.00 61.20 ATOM 908 CD2 LEU 57 -11.303 20.843 0.729 1.00 54.33 ATOM 909 HD21 LEU 57 -10.872 19.969 1.177 1.00 54.23 ATOM 910 HD22 LEU 57 -12.346 20.657 0.515 1.00 62.04 ATOM 911 HD23 LEU 57 -11.226 21.669 1.424 1.00 62.22 ATOM 912 C LEU 57 -10.435 17.687 -2.277 1.00 63.43 ATOM 913 O LEU 57 -9.519 17.625 -3.098 1.00 45.40 ATOM 914 N THR 58 -11.521 16.924 -2.349 1.00 72.31 ATOM 915 HN THR 58 -12.213 16.996 -1.655 1.00 38.28 ATOM 916 CA THR 58 -11.702 15.950 -3.418 1.00 52.03 ATOM 917 HA THR 58 -10.735 15.709 -3.851 1.00 34.44 ATOM 918 CB THR 58 -12.324 14.644 -2.889 1.00 71.12 ATOM 919 HB THR 58 -12.615 14.016 -3.723 1.00 13.33 ATOM 920 OG1 THR 58 -13.484 14.937 -2.102 1.00 41.23 ATOM 921 HG1 THR 58 -14.271 14.884 -2.649 1.00 71.51 ATOM 922 CG2 THR 58 -11.320 13.867 -2.052 1.00 22.25 ATOM 923 HG21 THR 58 -11.780 12.958 -1.694 1.00 20.54 ATOM 924 HG22 THR 58 -11.009 14.467 -1.209 1.00 74.31 ATOM 925 HG23 THR 58 -10.459 13.619 -2.656 1.00 41.53 ATOM 926 C THR 58 -12.587 16.509 -4.527 1.00 33.54 ATOM 927 O THR 58 -13.130 17.606 -4.405 1.00 41.25 ATOM 928 N GLU 59 -12.729 15.745 -5.606 1.00 1.32 ATOM 929 HN GLU 59 -12.258 14.879 -5.651 1.00 38.28 ATOM 930 CA GLU 59 -13.549 16.166 -6.736 1.00 31.13 ATOM 931 HA GLU 59 -13.109 17.064 -7.151 1.00 21.10 ATOM 932 CB GLU 59 -13.581 15.073 -7.806 1.00 35.31 ATOM 933 HB1 GLU 59 -14.506 15.153 -8.369 1.00 38.28 ATOM 934 HB2 GLU 59 -13.555 14.105 -7.323 1.00 62.35 ATOM 935 CG GLU 59 -12.420 15.143 -8.783 1.00 22.22 ATOM 936 HG1 GLU 59 -11.612 14.537 -8.401 1.00 38.28 ATOM 937 HG2 GLU 59 -12.084 16.168 -8.877 1.00 13.45 ATOM 938 CD GLU 59 -12.789 14.642 -10.166 1.00 15.24 ATOM 939 OE1 GLU 59 -12.269 13.582 -10.572 1.00 54.42 ATOM 940 OE2 GLU 59 -13.600 15.311 -10.841 1.00 3.00 ATOM 941 C GLU 59 -14.970 16.494 -6.285 1.00 23.53 ATOM 942 O GLU 59 -15.667 17.285 -6.920 1.00 20.35 ATOM 943 N SER 60 -15.392 15.879 -5.184 1.00 65.44 ATOM 944 HN SER 60 -14.819 15.220 -4.736 1.00 38.28 ATOM 945 CA SER 60 -16.730 16.101 -4.650 1.00 30.20 ATOM 946 HA SER 60 -17.417 16.227 -5.479 1.00 33.14 ATOM 947 CB SER 60 -17.180 14.893 -3.826 1.00 73.34 ATOM 948 HB1 SER 60 -18.256 14.906 -3.735 1.00 38.28 ATOM 949 HB2 SER 60 -16.736 14.930 -2.838 1.00 10.42 ATOM 950 OG SER 60 -16.792 13.679 -4.447 1.00 5.25 ATOM 951 HG SER 60 -15.925 13.413 -4.129 1.00 11.14 ATOM 952 C SER 60 -16.769 17.360 -3.790 1.00 14.22 ATOM 953 O SER 60 -17.792 18.040 -3.713 1.00 74.13 ATOM 954 N GLN 61 -15.648 17.664 -3.144 1.00 62.34 ATOM 955 HN GLN 61 -14.866 17.077 -3.220 1.00 38.28 ATOM 956 CA GLN 61 -15.554 18.841 -2.289 1.00 21.41 ATOM 957 HA GLN 61 -16.487 18.957 -1.755 1.00 12.54 ATOM 958 CB GLN 61 -14.426 18.668 -1.270 1.00 60.01 ATOM 959 HB1 GLN 61 -14.325 19.590 -0.708 1.00 38.28 ATOM 960 HB2 GLN 61 -13.510 18.485 -1.801 1.00 31.23 ATOM 961 CG GLN 61 -14.660 17.530 -0.290 1.00 34.10 ATOM 962 HG1 GLN 61 -14.318 16.618 -0.739 1.00 38.28 ATOM 963 HG2 GLN 61 -15.709 17.445 -0.081 1.00 74.12 ATOM 964 CD GLN 61 -13.917 17.723 1.017 1.00 64.41 ATOM 965 OE1 GLN 61 -12.698 17.561 1.081 1.00 64.45 ATOM 966 NE2 GLN 61 -14.648 18.071 2.069 1.00 72.11 ATOM 967 HE21 GLN 61 -15.619 18.188 1.963 1.00 24.01 ATOM 968 HE22 GLN 61 -14.184 18.200 2.923 1.00 4.32 ATOM 969 C GLN 61 -15.318 20.099 -3.118 1.00 31.11 ATOM 970 O GLN 61 -16.048 21.083 -2.993 1.00 4.44 ATOM 971 N LEU 62 -14.295 20.060 -3.964 1.00 50.33 ATOM 972 HN LEU 62 -13.750 19.243 -4.019 1.00 38.28 ATOM 973 CA LEU 62 -13.962 21.198 -4.815 1.00 13.03 ATOM 974 HA LEU 62 -13.626 22.004 -4.177 1.00 23.13 ATOM 975 CB LEU 62 -12.842 20.823 -5.786 1.00 45.40 ATOM 976 HB1 LEU 62 -12.900 21.498 -6.635 1.00 38.28 ATOM 977 HB2 LEU 62 -13.035 19.822 -6.154 1.00 11.41 ATOM 978 CG LEU 62 -11.420 20.888 -5.227 1.00 64.23 ATOM 979 HG LEU 62 -11.393 21.556 -4.376 1.00 45.13 ATOM 980 CD1 LEU 62 -10.970 19.515 -4.752 1.00 71.24 ATOM 981 HD11 LEU 62 -11.036 18.805 -5.565 1.00 41.40 ATOM 982 HD12 LEU 62 -11.605 19.206 -3.953 1.00 22.53 ATOM 983 HD13 LEU 62 -9.949 19.569 -4.405 1.00 1.14 ATOM 984 CD2 LEU 62 -10.459 21.433 -6.274 1.00 73.24 ATOM 985 HD21 LEU 62 -10.778 22.420 -6.579 1.00 42.13 ATOM 986 HD22 LEU 62 -10.446 20.778 -7.135 1.00 62.40 ATOM 987 HD23 LEU 62 -9.464 21.495 -5.856 1.00 40.45 ATOM 988 C LEU 62 -15.186 21.674 -5.591 1.00 61.33 ATOM 989 O LEU 62 -15.370 22.871 -5.806 1.00 11.31 ATOM 990 N ALA 63 -16.020 20.727 -6.008 1.00 55.12 ATOM 991 HN ALA 63 -15.813 19.780 -5.827 1.00 38.28 ATOM 992 CA ALA 63 -17.229 21.050 -6.757 1.00 22.31 ATOM 993 HA ALA 63 -16.938 21.557 -7.666 1.00 42.12 ATOM 994 CB ALA 63 -17.964 19.776 -7.146 1.00 35.12 ATOM 995 HB1 ALA 63 -18.827 20.023 -7.749 1.00 64.33 ATOM 996 HB2 ALA 63 -18.284 19.254 -6.255 1.00 72.32 ATOM 997 HB3 ALA 63 -17.301 19.140 -7.714 1.00 51.21 ATOM 998 C ALA 63 -18.144 21.967 -5.953 1.00 51.12 ATOM 999 O ALA 63 -18.848 22.807 -6.516 1.00 5.31 ATOM 1000 N LEU 64 -18.131 21.801 -4.635 1.00 72.03 ATOM 1001 HN LEU 64 -17.563 21.107 -4.236 1.00 38.28 ATOM 1002 CA LEU 64 -18.961 22.614 -3.753 1.00 52.34 ATOM 1003 HA LEU 64 -19.912 22.792 -4.241 1.00 24.24 ATOM 1004 CB LEU 64 -19.220 21.875 -2.439 1.00 40.33 ATOM 1005 HB1 LEU 64 -18.254 21.633 -2.020 1.00 38.28 ATOM 1006 HB2 LEU 64 -19.716 20.941 -2.678 1.00 54.12 ATOM 1007 CG LEU 64 -20.045 22.630 -1.396 1.00 63.01 ATOM 1008 HG LEU 64 -19.987 23.695 -1.565 1.00 73.14 ATOM 1009 CD1 LEU 64 -21.512 22.241 -1.492 1.00 42.33 ATOM 1010 HD11 LEU 64 -21.663 21.240 -1.111 1.00 51.11 ATOM 1011 HD12 LEU 64 -21.829 22.286 -2.524 1.00 44.13 ATOM 1012 HD13 LEU 64 -22.085 22.935 -0.926 1.00 64.41 ATOM 1013 CD2 LEU 64 -19.510 22.360 0.003 1.00 14.40 ATOM 1014 HD21 LEU 64 -20.198 21.739 0.555 1.00 22.32 ATOM 1015 HD22 LEU 64 -19.403 23.301 0.522 1.00 24.21 ATOM 1016 HD23 LEU 64 -18.544 21.873 -0.031 1.00 63.24 ATOM 1017 C LEU 64 -18.300 23.960 -3.472 1.00 35.12 ATOM 1018 O LEU 64 -18.932 25.010 -3.588 1.00 13.12 ATOM 1019 N VAL 65 -17.024 23.921 -3.103 1.00 40.01 ATOM 1020 HN VAL 65 -16.575 23.049 -3.048 1.00 38.28 ATOM 1021 CA VAL 65 -16.276 25.137 -2.808 1.00 41.32 ATOM 1022 HA VAL 65 -16.694 25.577 -1.913 1.00 72.24 ATOM 1023 CB VAL 65 -14.788 24.833 -2.552 1.00 61.14 ATOM 1024 HB VAL 65 -14.357 24.439 -3.462 1.00 41.13 ATOM 1025 CG1 VAL 65 -14.039 26.103 -2.178 1.00 55.25 ATOM 1026 HG11 VAL 65 -14.550 26.608 -1.379 1.00 62.32 ATOM 1027 HG12 VAL 65 -13.989 26.742 -3.035 1.00 62.30 ATOM 1028 HG13 VAL 65 -13.036 25.860 -1.858 1.00 65.10 ATOM 1029 CG2 VAL 65 -14.639 23.778 -1.467 1.00 33.41 ATOM 1030 HG21 VAL 65 -13.621 23.749 -1.126 1.00 63.44 ATOM 1031 HG22 VAL 65 -14.899 22.814 -1.860 1.00 0.42 ATOM 1032 HG23 VAL 65 -15.285 24.012 -0.630 1.00 60.22 ATOM 1033 C VAL 65 -16.389 26.142 -3.949 1.00 51.21 ATOM 1034 O VAL 65 -16.405 27.353 -3.724 1.00 71.54 ATOM 1035 N ARG 66 -16.468 25.632 -5.174 1.00 2.22 ATOM 1036 HN ARG 66 -16.423 24.656 -5.303 1.00 38.28 ATOM 1037 CA ARG 66 -16.579 26.485 -6.351 1.00 2.31 ATOM 1038 HA ARG 66 -15.793 27.230 -6.307 1.00 13.21 ATOM 1039 CB ARG 66 -16.411 25.656 -7.626 1.00 15.15 ATOM 1040 HB1 ARG 66 -16.808 26.216 -8.467 1.00 38.28 ATOM 1041 HB2 ARG 66 -16.972 24.738 -7.524 1.00 45.45 ATOM 1042 CG ARG 66 -14.967 25.299 -7.934 1.00 62.33 ATOM 1043 HG1 ARG 66 -14.632 24.545 -7.247 1.00 38.28 ATOM 1044 HG2 ARG 66 -14.352 26.182 -7.826 1.00 25.21 ATOM 1045 CD ARG 66 -14.813 24.778 -9.355 1.00 11.22 ATOM 1046 HD1 ARG 66 -13.792 24.455 -9.498 1.00 38.28 ATOM 1047 HD2 ARG 66 -15.031 25.593 -10.031 1.00 2.54 ATOM 1048 NE ARG 66 -15.712 23.660 -9.629 1.00 13.55 ATOM 1049 HE ARG 66 -16.100 23.183 -8.860 1.00 34.30 ATOM 1050 CZ ARG 66 -16.027 23.253 -10.853 1.00 64.02 ATOM 1051 NH1 ARG 66 -15.517 23.868 -11.911 1.00 63.03 ATOM 1052 HH11 ARG 66 -14.891 24.638 -11.818 1.00 24.03 ATOM 1053 HH12 ARG 66 -15.764 23.554 -12.830 1.00 51.44 ATOM 1054 NH2 ARG 66 -16.852 22.228 -11.021 1.00 73.11 ATOM 1055 HH21 ARG 66 -17.240 21.758 -10.225 1.00 34.32 ATOM 1056 HH22 ARG 66 -17.091 21.919 -11.944 1.00 13.11 ATOM 1057 C ARG 66 -17.923 27.208 -6.374 1.00 23.40 ATOM 1058 O ARG 66 -17.992 28.401 -6.669 1.00 74.35 ATOM 1059 N ASP 67 -18.987 26.477 -6.061 1.00 22.50 ATOM 1060 HN ASP 67 -18.872 25.522 -5.840 1.00 38.28 ATOM 1061 CA ASP 67 -20.329 27.047 -6.045 1.00 43.22 ATOM 1062 HA ASP 67 -20.495 27.526 -7.003 1.00 2.20 ATOM 1063 CB ASP 67 -21.372 25.947 -5.844 1.00 24.41 ATOM 1064 HB1 ASP 67 -21.415 25.664 -4.799 1.00 38.28 ATOM 1065 HB2 ASP 67 -21.089 25.083 -6.429 1.00 13.22 ATOM 1066 CG ASP 67 -22.757 26.374 -6.287 1.00 31.00 ATOM 1067 OD1 ASP 67 -22.869 26.999 -7.362 1.00 73.42 ATOM 1068 OD2 ASP 67 -23.729 26.085 -5.558 1.00 31.51 ATOM 1069 C ASP 67 -20.460 28.097 -4.946 1.00 30.31 ATOM 1070 O ASP 67 -21.002 29.180 -5.170 1.00 21.53 ATOM 1071 N ILE 68 -19.962 27.768 -3.759 1.00 1.03 ATOM 1072 HN ILE 68 -19.522 26.895 -3.652 1.00 38.28 ATOM 1073 CA ILE 68 -20.024 28.682 -2.625 1.00 42.32 ATOM 1074 HA ILE 68 -21.064 28.799 -2.347 1.00 54.24 ATOM 1075 CB ILE 68 -19.254 28.128 -1.412 1.00 33.31 ATOM 1076 HB ILE 68 -18.216 28.009 -1.696 1.00 63.14 ATOM 1077 CG1 ILE 68 -19.822 26.768 -0.998 1.00 50.42 ATOM 1078 HG11 ILE 68 -19.989 26.149 -1.858 1.00 38.28 ATOM 1079 HG12 ILE 68 -20.768 26.912 -0.494 1.00 11.31 ATOM 1080 CG2 ILE 68 -19.317 29.109 -0.251 1.00 42.32 ATOM 1081 HG21 ILE 68 -18.723 29.981 -0.475 1.00 23.55 ATOM 1082 HG22 ILE 68 -18.931 28.649 0.647 1.00 32.11 ATOM 1083 HG23 ILE 68 -20.342 29.410 -0.079 1.00 31.33 ATOM 1084 CD1 ILE 68 -18.921 25.998 -0.059 1.00 63.54 ATOM 1085 HD11 ILE 68 -18.206 26.656 0.417 1.00 12.50 ATOM 1086 HD12 ILE 68 -18.392 25.239 -0.614 1.00 54.20 ATOM 1087 HD13 ILE 68 -19.525 25.523 0.700 1.00 72.02 ATOM 1088 C ILE 68 -19.457 30.050 -2.991 1.00 10.04 ATOM 1089 O ILE 68 -19.934 31.079 -2.512 1.00 11.03 ATOM 1090 N ARG 69 -18.438 30.053 -3.843 1.00 45.51 ATOM 1091 HN ARG 69 -18.080 29.200 -4.182 1.00 38.28 ATOM 1092 CA ARG 69 -17.806 31.295 -4.274 1.00 22.23 ATOM 1093 HA ARG 69 -17.637 31.911 -3.403 1.00 15.15 ATOM 1094 CB ARG 69 -16.456 31.003 -4.933 1.00 14.43 ATOM 1095 HB1 ARG 69 -16.609 30.300 -5.741 1.00 38.28 ATOM 1096 HB2 ARG 69 -15.806 30.551 -4.208 1.00 34.41 ATOM 1097 CG ARG 69 -15.764 32.242 -5.477 1.00 10.43 ATOM 1098 HG1 ARG 69 -14.696 32.116 -5.368 1.00 38.28 ATOM 1099 HG2 ARG 69 -16.076 33.112 -4.913 1.00 44.02 ATOM 1100 CD ARG 69 -16.094 32.466 -6.944 1.00 61.23 ATOM 1101 HD1 ARG 69 -16.120 33.530 -7.129 1.00 38.28 ATOM 1102 HD2 ARG 69 -17.057 32.045 -7.170 1.00 21.33 ATOM 1103 NE ARG 69 -15.098 31.865 -7.827 1.00 24.41 ATOM 1104 HE ARG 69 -14.223 31.647 -7.449 1.00 54.21 ATOM 1105 CZ ARG 69 -15.306 31.629 -9.117 1.00 60.44 ATOM 1106 NH1 ARG 69 -16.468 31.942 -9.673 1.00 34.02 ATOM 1107 HH11 ARG 69 -17.205 32.360 -9.148 1.00 51.44 ATOM 1108 HH12 ARG 69 -16.614 31.756 -10.647 1.00 53.41 ATOM 1109 NH2 ARG 69 -14.350 31.079 -9.855 1.00 71.43 ATOM 1110 HH21 ARG 69 -13.469 30.840 -9.441 1.00 54.31 ATOM 1111 HH22 ARG 69 -14.505 30.900 -10.829 1.00 42.32 ATOM 1112 C ARG 69 -18.705 32.054 -5.245 1.00 60.12 ATOM 1113 O ARG 69 -18.872 33.268 -5.132 1.00 12.41 ATOM 1114 N ARG 70 -19.281 31.330 -6.199 1.00 63.14 ATOM 1115 HN ARG 70 -19.106 30.360 -6.245 1.00 38.28 ATOM 1116 CA ARG 70 -20.161 31.935 -7.191 1.00 51.15 ATOM 1117 HA ARG 70 -19.617 32.730 -7.682 1.00 23.45 ATOM 1118 CB ARG 70 -20.572 30.899 -8.239 1.00 54.12 ATOM 1119 HB1 ARG 70 -21.081 30.085 -7.742 1.00 38.28 ATOM 1120 HB2 ARG 70 -19.681 30.510 -8.714 1.00 23.41 ATOM 1121 CG ARG 70 -21.497 31.451 -9.312 1.00 0.43 ATOM 1122 HG1 ARG 70 -22.347 31.939 -8.859 1.00 38.28 ATOM 1123 HG2 ARG 70 -21.846 30.626 -9.916 1.00 63.31 ATOM 1124 CD ARG 70 -20.773 32.434 -10.219 1.00 71.32 ATOM 1125 HD1 ARG 70 -21.260 32.413 -11.184 1.00 38.28 ATOM 1126 HD2 ARG 70 -19.739 32.134 -10.338 1.00 43.24 ATOM 1127 NE ARG 70 -20.818 33.797 -9.697 1.00 32.21 ATOM 1128 HE ARG 70 -21.161 33.934 -8.788 1.00 12.04 ATOM 1129 CZ ARG 70 -20.426 34.862 -10.387 1.00 74.24 ATOM 1130 NH1 ARG 70 -19.963 34.722 -11.622 1.00 31.12 ATOM 1131 HH11 ARG 70 -19.897 33.826 -12.056 1.00 31.14 ATOM 1132 HH12 ARG 70 -19.671 35.532 -12.136 1.00 62.31 ATOM 1133 NH2 ARG 70 -20.498 36.070 -9.843 1.00 61.14 ATOM 1134 HH21 ARG 70 -20.848 36.183 -8.911 1.00 42.32 ATOM 1135 HH22 ARG 70 -20.202 36.875 -10.362 1.00 23.43 ATOM 1136 C ARG 70 -21.403 32.525 -6.529 1.00 23.21 ATOM 1137 O ARG 70 -21.717 33.701 -6.713 1.00 75.32 ATOM 1138 N ARG 71 -22.104 31.700 -5.758 1.00 1.10 ATOM 1139 HN ARG 71 -21.799 30.768 -5.647 1.00 38.28 ATOM 1140 CA ARG 71 -23.312 32.139 -5.070 1.00 3.34 ATOM 1141 HA ARG 71 -24.004 32.520 -5.811 1.00 62.13 ATOM 1142 CB ARG 71 -23.966 30.963 -4.342 1.00 4.43 ATOM 1143 HB1 ARG 71 -24.821 31.332 -3.786 1.00 38.28 ATOM 1144 HB2 ARG 71 -23.251 30.543 -3.648 1.00 42.31 ATOM 1145 CG ARG 71 -24.429 29.854 -5.271 1.00 73.40 ATOM 1146 HG1 ARG 71 -23.622 29.146 -5.393 1.00 38.28 ATOM 1147 HG2 ARG 71 -24.691 30.269 -6.237 1.00 53.55 ATOM 1148 CD ARG 71 -25.638 29.124 -4.707 1.00 74.32 ATOM 1149 HD1 ARG 71 -25.568 29.074 -3.627 1.00 38.28 ATOM 1150 HD2 ARG 71 -25.635 28.120 -5.108 1.00 71.24 ATOM 1151 NE ARG 71 -26.892 29.776 -5.076 1.00 32.43 ATOM 1152 HE ARG 71 -26.843 30.667 -5.495 1.00 72.53 ATOM 1153 CZ ARG 71 -28.089 29.235 -4.874 1.00 24.20 ATOM 1154 NH1 ARG 71 -28.193 28.040 -4.309 1.00 60.35 ATOM 1155 HH11 ARG 71 -27.386 27.526 -4.024 1.00 54.12 ATOM 1156 HH12 ARG 71 -29.100 27.640 -4.162 1.00 12.34 ATOM 1157 NH2 ARG 71 -29.184 29.890 -5.237 1.00 1.13 ATOM 1158 HH21 ARG 71 -29.112 30.794 -5.664 1.00 52.43 ATOM 1159 HH22 ARG 71 -30.088 29.484 -5.086 1.00 3.44 ATOM 1160 C ARG 71 -22.997 33.254 -4.077 1.00 4.33 ATOM 1161 O ARG 71 -23.740 34.228 -3.965 1.00 1.21 ATOM 1162 N GLY 72 -21.889 33.103 -3.357 1.00 2.50 ATOM 1163 HN GLY 72 -21.329 32.302 -3.468 1.00 38.28 ATOM 1164 CA GLY 72 -21.495 34.104 -2.383 1.00 12.34 ATOM 1165 HA1 GLY 72 -20.664 33.721 -1.822 1.00 38.28 ATOM 1166 HA2 GLY 72 -22.317 34.286 -1.702 1.00 72.44 ATOM 1167 C GLY 72 -21.091 35.415 -3.028 1.00 75.13 ATOM 1168 O GLY 72 -21.320 36.488 -2.469 1.00 61.12 ATOM 1169 N LYS 73 -20.488 35.330 -4.209 1.00 23.32 ATOM 1170 HN LYS 73 -20.326 34.445 -4.613 1.00 38.28 ATOM 1171 CA LYS 73 -20.050 36.518 -4.932 1.00 61.53 ATOM 1172 HA LYS 73 -19.623 37.216 -4.222 1.00 72.25 ATOM 1173 CB LYS 73 -18.975 36.148 -5.957 1.00 50.32 ATOM 1174 HB1 LYS 73 -19.399 35.449 -6.666 1.00 38.28 ATOM 1175 HB2 LYS 73 -18.160 35.658 -5.442 1.00 21.30 ATOM 1176 CG LYS 73 -18.441 37.339 -6.734 1.00 5.22 ATOM 1177 HG1 LYS 73 -19.156 38.143 -6.750 1.00 38.28 ATOM 1178 HG2 LYS 73 -18.261 37.029 -7.750 1.00 42.11 ATOM 1179 CD LYS 73 -17.150 37.865 -6.129 1.00 43.40 ATOM 1180 HD1 LYS 73 -17.229 37.879 -5.049 1.00 38.28 ATOM 1181 HD2 LYS 73 -16.987 38.871 -6.487 1.00 4.23 ATOM 1182 CE LYS 73 -15.957 37.010 -6.529 1.00 35.22 ATOM 1183 HE1 LYS 73 -16.172 35.971 -6.319 1.00 38.28 ATOM 1184 HE2 LYS 73 -15.102 37.320 -5.946 1.00 62.31 ATOM 1185 NZ LYS 73 -15.629 37.157 -7.974 1.00 31.41 ATOM 1186 HZ1 LYS 73 -14.743 36.654 -8.187 1.00 41.44 ATOM 1187 HZ2 LYS 73 -15.507 38.161 -8.222 1.00 64.34 ATOM 1188 HZ3 LYS 73 -16.386 36.756 -8.561 1.00 4.52 ATOM 1189 C LYS 73 -21.225 37.192 -5.633 1.00 72.40 ATOM 1190 O LYS 73 -21.257 38.413 -5.776 1.00 0.15 ATOM 1191 N ASN 74 -22.190 36.387 -6.067 1.00 40.22 ATOM 1192 HN ASN 74 -22.104 35.412 -5.948 1.00 38.28 ATOM 1193 CA ASN 74 -23.368 36.907 -6.752 1.00 61.23 ATOM 1194 HA ASN 74 -23.045 37.346 -7.686 1.00 33.33 ATOM 1195 CB ASN 74 -24.362 35.777 -7.030 1.00 42.22 ATOM 1196 HB1 ASN 74 -25.352 36.189 -7.191 1.00 38.28 ATOM 1197 HB2 ASN 74 -24.393 35.109 -6.183 1.00 15.32 ATOM 1198 CG ASN 74 -23.990 34.970 -8.259 1.00 32.52 ATOM 1199 OD1 ASN 74 -23.074 35.329 -8.998 1.00 41.30 ATOM 1200 ND2 ASN 74 -24.702 33.871 -8.482 1.00 53.21 ATOM 1201 HD21 ASN 74 -25.423 33.632 -7.856 1.00 4.42 ATOM 1202 HD22 ASN 74 -24.478 33.335 -9.271 1.00 61.10 ATOM 1203 C ASN 74 -24.040 37.999 -5.926 1.00 33.12 ATOM 1204 O ASN 74 -24.674 38.904 -6.470 1.00 25.13 ATOM 1205 N LYS 75 -23.898 37.908 -4.608 1.00 21.01 ATOM 1206 HN LYS 75 -23.428 37.138 -4.216 1.00 38.28 ATOM 1207 CA LYS 75 -24.489 38.888 -3.705 1.00 1.15 ATOM 1208 HA LYS 75 -25.540 38.984 -3.948 1.00 11.53 ATOM 1209 CB LYS 75 -24.362 38.417 -2.254 1.00 3.10 ATOM 1210 HB1 LYS 75 -23.319 38.322 -1.995 1.00 38.28 ATOM 1211 HB2 LYS 75 -24.827 37.443 -2.177 1.00 34.43 ATOM 1212 CG LYS 75 -25.024 39.347 -1.252 1.00 51.03 ATOM 1213 HG1 LYS 75 -26.016 39.601 -1.604 1.00 38.28 ATOM 1214 HG2 LYS 75 -24.429 40.247 -1.176 1.00 33.11 ATOM 1215 CD LYS 75 -25.142 38.699 0.117 1.00 74.31 ATOM 1216 HD1 LYS 75 -24.266 38.091 0.312 1.00 38.28 ATOM 1217 HD2 LYS 75 -26.022 38.074 0.130 1.00 31.03 ATOM 1218 CE LYS 75 -25.269 39.740 1.218 1.00 51.42 ATOM 1219 HE1 LYS 75 -25.795 39.293 2.049 1.00 38.28 ATOM 1220 HE2 LYS 75 -25.835 40.590 0.858 1.00 40.41 ATOM 1221 NZ LYS 75 -23.938 40.208 1.694 1.00 12.55 ATOM 1222 HZ1 LYS 75 -24.060 40.918 2.444 1.00 34.44 ATOM 1223 HZ2 LYS 75 -23.404 40.640 0.911 1.00 22.04 ATOM 1224 HZ3 LYS 75 -23.389 39.410 2.076 1.00 50.02 ATOM 1225 C LYS 75 -23.822 40.250 -3.868 1.00 52.31 ATOM 1226 O LYS 75 -24.443 41.204 -4.338 1.00 1.02 ATOM 1227 N VAL 76 -22.554 40.334 -3.479 1.00 1.01 ATOM 1228 HN VAL 76 -22.094 39.533 -3.137 1.00 38.28 ATOM 1229 CA VAL 76 -21.802 41.579 -3.585 1.00 33.20 ATOM 1230 HA VAL 76 -22.284 42.312 -2.949 1.00 51.53 ATOM 1231 CB VAL 76 -20.348 41.399 -3.110 1.00 71.44 ATOM 1232 HB VAL 76 -20.363 40.935 -2.135 1.00 61.52 ATOM 1233 CG1 VAL 76 -19.586 40.486 -4.059 1.00 42.11 ATOM 1234 HG11 VAL 76 -18.602 40.298 -3.652 1.00 65.00 ATOM 1235 HG12 VAL 76 -19.480 40.944 -5.030 1.00 51.51 ATOM 1236 HG13 VAL 76 -20.106 39.550 -4.152 1.00 51.30 ATOM 1237 CG2 VAL 76 -19.658 42.748 -2.986 1.00 4.32 ATOM 1238 HG21 VAL 76 -19.585 43.218 -3.956 1.00 2.23 ATOM 1239 HG22 VAL 76 -18.665 42.608 -2.582 1.00 14.12 ATOM 1240 HG23 VAL 76 -20.224 43.386 -2.320 1.00 41.31 ATOM 1241 C VAL 76 -21.797 42.097 -5.019 1.00 1.03 ATOM 1242 O VAL 76 -21.743 43.304 -5.253 1.00 74.10 ATOM 1243 N ALA 77 -21.853 41.176 -5.975 1.00 51.02 ATOM 1244 HN ALA 77 -21.857 40.221 -5.736 1.00 38.28 ATOM 1245 CA ALA 77 -21.857 41.540 -7.387 1.00 33.24 ATOM 1246 HA ALA 77 -20.963 42.075 -7.594 1.00 63.10 ATOM 1247 CB ALA 77 -21.857 40.290 -8.254 1.00 20.41 ATOM 1248 HB1 ALA 77 -21.001 39.681 -8.002 1.00 3.11 ATOM 1249 HB2 ALA 77 -21.802 40.570 -9.297 1.00 30.40 ATOM 1250 HB3 ALA 77 -22.762 39.725 -8.079 1.00 53.21 ATOM 1251 C ALA 77 -23.057 42.419 -7.723 1.00 42.13 ATOM 1252 O ALA 77 -23.022 43.193 -8.680 1.00 33.51 ATOM 1253 N ALA 78 -24.117 42.295 -6.931 1.00 62.44 ATOM 1254 HN ALA 78 -24.120 41.623 -6.216 1.00 38.28 ATOM 1255 CA ALA 78 -25.326 43.079 -7.145 1.00 54.22 ATOM 1256 HA ALA 78 -25.778 42.751 -8.070 1.00 70.04 ATOM 1257 CB ALA 78 -26.321 42.833 -6.020 1.00 71.35 ATOM 1258 HB1 ALA 78 -27.236 43.374 -6.218 1.00 13.22 ATOM 1259 HB2 ALA 78 -25.900 43.167 -5.082 1.00 62.44 ATOM 1260 HB3 ALA 78 -26.537 41.776 -5.958 1.00 50.51 ATOM 1261 C ALA 78 -25.005 44.566 -7.253 1.00 24.11 ATOM 1262 O ALA 78 -25.698 45.311 -7.945 1.00 1.13 ATOM 1263 N GLN 79 -23.950 44.990 -6.564 1.00 30.20 ATOM 1264 HN GLN 79 -23.447 44.365 -5.995 1.00 38.28 ATOM 1265 CA GLN 79 -23.538 46.388 -6.582 1.00 13.50 ATOM 1266 HA GLN 79 -24.420 47.009 -6.690 1.00 52.40 ATOM 1267 CB GLN 79 -22.849 46.756 -5.267 1.00 2.11 ATOM 1268 HB1 GLN 79 -22.616 47.814 -5.286 1.00 38.28 ATOM 1269 HB2 GLN 79 -21.927 46.194 -5.183 1.00 53.34 ATOM 1270 CG GLN 79 -23.691 46.463 -4.036 1.00 11.32 ATOM 1271 HG1 GLN 79 -23.558 45.426 -3.765 1.00 38.28 ATOM 1272 HG2 GLN 79 -24.734 46.644 -4.261 1.00 64.30 ATOM 1273 CD GLN 79 -23.308 47.324 -2.848 1.00 64.12 ATOM 1274 OE1 GLN 79 -24.090 48.160 -2.394 1.00 22.50 ATOM 1275 NE2 GLN 79 -22.098 47.124 -2.338 1.00 32.12 ATOM 1276 HE21 GLN 79 -21.514 46.442 -2.742 1.00 74.22 ATOM 1277 HE22 GLN 79 -21.831 47.671 -1.570 1.00 60.35 ATOM 1278 C GLN 79 -22.604 46.666 -7.755 1.00 24.33 ATOM 1279 O GLN 79 -22.562 47.778 -8.278 1.00 53.14 ATOM 1280 N ASN 80 -21.854 45.646 -8.162 1.00 12.24 ATOM 1281 HN ASN 80 -21.913 44.786 -7.706 1.00 38.28 ATOM 1282 CA ASN 80 -20.919 45.781 -9.272 1.00 63.34 ATOM 1283 HA ASN 80 -20.919 46.806 -9.622 1.00 4.34 ATOM 1284 CB ASN 80 -19.501 45.431 -8.817 1.00 65.32 ATOM 1285 HB1 ASN 80 -19.165 46.188 -8.123 1.00 38.28 ATOM 1286 HB2 ASN 80 -18.834 45.421 -9.670 1.00 62.41 ATOM 1287 CG ASN 80 -19.433 44.087 -8.118 1.00 62.54 ATOM 1288 OD1 ASN 80 -19.775 43.968 -6.942 1.00 1.23 ATOM 1289 ND2 ASN 80 -18.989 43.065 -8.842 1.00 55.32 ATOM 1290 HD21 ASN 80 -18.731 43.218 -9.779 1.00 34.44 ATOM 1291 HD22 ASN 80 -18.931 42.189 -8.407 1.00 32.35 ATOM 1292 C ASN 80 -21.326 44.885 -10.438 1.00 53.13 ATOM 1293 O ASN 80 -20.532 44.079 -10.923 1.00 24.13 ATOM 1294 N TYR 81 -22.569 45.033 -10.884 1.00 63.32 ATOM 1295 HN TYR 81 -23.161 45.703 -10.468 1.00 38.28 ATOM 1296 CA TYR 81 -23.083 44.236 -11.992 1.00 41.30 ATOM 1297 HA TYR 81 -22.377 43.436 -12.201 1.00 12.31 ATOM 1298 CB TYR 81 -24.429 43.614 -11.619 1.00 14.05 ATOM 1299 HB1 TYR 81 -25.231 44.303 -11.859 1.00 38.28 ATOM 1300 HB2 TYR 81 -24.452 43.428 -10.556 1.00 2.13 ATOM 1301 CG TYR 81 -24.712 42.310 -12.329 1.00 65.42 ATOM 1302 CD1 TYR 81 -24.655 41.099 -11.649 1.00 42.11 ATOM 1303 HD1 TYR 81 -24.406 41.095 -10.597 1.00 63.20 ATOM 1304 CD2 TYR 81 -25.034 42.287 -13.680 1.00 43.24 ATOM 1305 HD2 TYR 81 -25.092 43.211 -14.219 1.00 5.04 ATOM 1306 CE1 TYR 81 -24.911 39.905 -12.294 1.00 71.32 ATOM 1307 HE1 TYR 81 -24.862 38.975 -11.747 1.00 34.23 ATOM 1308 CE2 TYR 81 -25.293 41.098 -14.333 1.00 60.23 ATOM 1309 HE2 TYR 81 -25.542 41.102 -15.384 1.00 54.01 ATOM 1310 CZ TYR 81 -25.230 39.909 -13.636 1.00 53.31 ATOM 1311 OH TYR 81 -25.486 38.722 -14.283 1.00 54.22 ATOM 1312 HH TYR 81 -24.749 38.498 -14.859 1.00 72.03 ATOM 1313 C TYR 81 -23.234 45.086 -13.250 1.00 13.31 ATOM 1314 O TYR 81 -23.594 46.262 -13.179 1.00 20.42 ATOM 1315 N ARG 82 -22.957 44.483 -14.401 1.00 34.51 ATOM 1316 HN ARG 82 -22.678 43.536 -14.395 1.00 38.28 ATOM 1317 CA ARG 82 -23.062 45.183 -15.675 1.00 62.34 ATOM 1318 HA ARG 82 -22.616 46.165 -15.557 1.00 41.41 ATOM 1319 CB ARG 82 -22.286 44.432 -16.759 1.00 72.42 ATOM 1320 HB1 ARG 82 -22.703 43.437 -16.852 1.00 38.28 ATOM 1321 HB2 ARG 82 -21.253 44.350 -16.450 1.00 53.23 ATOM 1322 CG ARG 82 -22.322 45.114 -18.117 1.00 71.52 ATOM 1323 HG1 ARG 82 -21.588 45.906 -18.127 1.00 38.28 ATOM 1324 HG2 ARG 82 -23.300 45.532 -18.304 1.00 64.44 ATOM 1325 CD ARG 82 -22.006 44.137 -19.239 1.00 41.23 ATOM 1326 HD1 ARG 82 -22.425 44.530 -20.155 1.00 38.28 ATOM 1327 HD2 ARG 82 -22.458 43.176 -19.028 1.00 74.14 ATOM 1328 NE ARG 82 -20.568 43.959 -19.420 1.00 63.35 ATOM 1329 HE ARG 82 -19.963 44.400 -18.778 1.00 35.23 ATOM 1330 CZ ARG 82 -20.034 43.235 -20.399 1.00 15.43 ATOM 1331 NH1 ARG 82 -20.816 42.627 -21.280 1.00 34.34 ATOM 1332 HH11 ARG 82 -21.811 42.698 -21.228 1.00 41.52 ATOM 1333 HH12 ARG 82 -20.405 42.084 -22.015 1.00 72.40 ATOM 1334 NH2 ARG 82 -18.716 43.120 -20.498 1.00 12.35 ATOM 1335 HH21 ARG 82 -18.119 43.578 -19.836 1.00 64.15 ATOM 1336 HH22 ARG 82 -18.311 42.575 -21.235 1.00 21.32 ATOM 1337 C ARG 82 -24.521 45.336 -16.093 1.00 52.44 ATOM 1338 O ARG 82 -25.247 44.351 -16.227 1.00 15.21 ATOM 1339 N LYS 83 -24.945 46.579 -16.298 1.00 42.11 ATOM 1340 HN LYS 83 -24.315 47.330 -16.179 1.00 38.28 ATOM 1341 CA LYS 83 -26.317 46.864 -16.702 1.00 22.54 ATOM 1342 HA LYS 83 -26.970 46.397 -15.975 1.00 75.35 ATOM 1343 CB LYS 83 -26.565 48.374 -16.711 1.00 64.33 ATOM 1344 HB1 LYS 83 -26.288 48.780 -17.677 1.00 38.28 ATOM 1345 HB2 LYS 83 -25.939 48.834 -15.965 1.00 62.25 ATOM 1346 CG LYS 83 -28.010 48.755 -16.442 1.00 20.44 ATOM 1347 HG1 LYS 83 -28.656 48.136 -17.051 1.00 38.28 ATOM 1348 HG2 LYS 83 -28.156 49.791 -16.718 1.00 43.03 ATOM 1349 CD LYS 83 -28.376 48.553 -14.981 1.00 15.32 ATOM 1350 HD1 LYS 83 -27.850 47.701 -14.572 1.00 38.28 ATOM 1351 HD2 LYS 83 -29.439 48.373 -14.919 1.00 53.22 ATOM 1352 CE LYS 83 -28.050 49.785 -14.150 1.00 34.45 ATOM 1353 HE1 LYS 83 -28.674 49.775 -13.269 1.00 38.28 ATOM 1354 HE2 LYS 83 -28.259 50.681 -14.720 1.00 41.13 ATOM 1355 NZ LYS 83 -26.624 49.803 -13.721 1.00 34.31 ATOM 1356 HZ1 LYS 83 -26.528 50.367 -12.852 1.00 44.44 ATOM 1357 HZ2 LYS 83 -26.035 50.238 -14.457 1.00 50.44 ATOM 1358 HZ3 LYS 83 -26.273 48.839 -13.531 1.00 12.13 ATOM 1359 C LYS 83 -26.611 46.281 -18.080 1.00 65.42 ATOM 1360 O LYS 83 -25.830 46.453 -19.016 1.00 40.25 ATOM 1361 N ARG 84 -27.741 45.592 -18.198 1.00 22.43 ATOM 1362 HN ARG 84 -28.339 45.500 -17.418 1.00 38.28 ATOM 1363 CA ARG 84 -28.137 44.984 -19.462 1.00 72.13 ATOM 1364 HA ARG 84 -27.249 44.787 -20.052 1.00 1.42 ATOM 1365 CB ARG 84 -28.851 43.654 -19.212 1.00 64.00 ATOM 1366 HB1 ARG 84 -29.064 43.194 -20.169 1.00 38.28 ATOM 1367 HB2 ARG 84 -29.784 43.845 -18.697 1.00 73.14 ATOM 1368 CG ARG 84 -28.043 42.678 -18.372 1.00 11.33 ATOM 1369 HG1 ARG 84 -28.096 42.981 -17.337 1.00 38.28 ATOM 1370 HG2 ARG 84 -27.012 42.691 -18.701 1.00 2.12 ATOM 1371 CD ARG 84 -28.577 41.260 -18.498 1.00 10.03 ATOM 1372 HD1 ARG 84 -28.861 41.062 -19.525 1.00 38.28 ATOM 1373 HD2 ARG 84 -29.451 41.171 -17.869 1.00 65.25 ATOM 1374 NE ARG 84 -27.597 40.266 -18.069 1.00 1.15 ATOM 1375 HE ARG 84 -27.733 39.850 -17.189 1.00 51.24 ATOM 1376 CZ ARG 84 -26.548 39.904 -18.800 1.00 14.54 ATOM 1377 NH1 ARG 84 -26.345 40.453 -19.989 1.00 61.25 ATOM 1378 HH11 ARG 84 -26.962 41.141 -20.362 1.00 25.35 ATOM 1379 HH12 ARG 84 -25.551 40.172 -20.532 1.00 61.35 ATOM 1380 NH2 ARG 84 -25.701 38.993 -18.340 1.00 65.15 ATOM 1381 HH21 ARG 84 -25.849 38.576 -17.441 1.00 25.52 ATOM 1382 HH22 ARG 84 -24.909 38.718 -18.889 1.00 40.43 ATOM 1383 C ARG 84 -29.046 45.920 -20.254 1.00 62.31 ATOM 1384 O ARG 84 -29.597 46.876 -19.709 1.00 34.13 ATOM 1385 N LYS 85 -29.197 45.638 -21.544 1.00 2.12 ATOM 1386 HN LYS 85 -28.724 44.866 -21.933 1.00 38.28 ATOM 1387 CA LYS 85 -30.039 46.453 -22.412 1.00 25.11 ATOM 1388 HA LYS 85 -30.621 47.134 -21.798 1.00 13.33 ATOM 1389 CB LYS 85 -29.174 47.267 -23.377 1.00 61.23 ATOM 1390 HB1 LYS 85 -28.953 46.672 -24.249 1.00 38.28 ATOM 1391 HB2 LYS 85 -28.242 47.510 -22.880 1.00 63.01 ATOM 1392 CG LYS 85 -29.824 48.562 -23.831 1.00 41.34 ATOM 1393 HG1 LYS 85 -30.256 49.060 -22.972 1.00 38.28 ATOM 1394 HG2 LYS 85 -30.608 48.334 -24.541 1.00 72.41 ATOM 1395 CD LYS 85 -28.813 49.499 -24.471 1.00 41.10 ATOM 1396 HD1 LYS 85 -27.908 49.523 -23.877 1.00 38.28 ATOM 1397 HD2 LYS 85 -29.240 50.490 -24.506 1.00 11.43 ATOM 1398 CE LYS 85 -28.474 49.069 -25.890 1.00 30.30 ATOM 1399 HE1 LYS 85 -28.123 49.934 -26.433 1.00 38.28 ATOM 1400 HE2 LYS 85 -29.359 48.681 -26.378 1.00 22.41 ATOM 1401 NZ LYS 85 -27.409 48.028 -25.915 1.00 2.35 ATOM 1402 HZ1 LYS 85 -27.832 47.081 -25.890 1.00 22.12 ATOM 1403 HZ2 LYS 85 -26.759 48.128 -25.106 1.00 3.51 ATOM 1404 HZ3 LYS 85 -26.856 48.116 -26.791 1.00 73.11 ATOM 1405 C LYS 85 -31.014 45.582 -23.197 1.00 51.21 ATOM 1406 O LYS 85 -30.796 44.381 -23.361 1.00 75.11 ATOM 1407 N LEU 86 -32.089 46.195 -23.682 1.00 24.23 ATOM 1408 HN LEU 86 -32.213 47.160 -23.528 1.00 38.28 ATOM 1409 CA LEU 86 -33.097 45.475 -24.452 1.00 14.42 ATOM 1410 HA LEU 86 -32.868 44.415 -24.438 1.00 52.34 ATOM 1411 CB LEU 86 -34.479 45.664 -23.822 1.00 25.43 ATOM 1412 HB1 LEU 86 -34.582 46.705 -23.544 1.00 38.28 ATOM 1413 HB2 LEU 86 -34.514 45.067 -22.921 1.00 4.44 ATOM 1414 CG LEU 86 -35.673 45.286 -24.698 1.00 72.41 ATOM 1415 HG LEU 86 -35.721 45.944 -25.551 1.00 61.51 ATOM 1416 CD1 LEU 86 -35.530 43.861 -25.210 1.00 61.23 ATOM 1417 HD11 LEU 86 -35.438 43.181 -24.374 1.00 13.01 ATOM 1418 HD12 LEU 86 -34.660 43.774 -25.839 1.00 44.34 ATOM 1419 HD13 LEU 86 -36.405 43.595 -25.787 1.00 10.31 ATOM 1420 CD2 LEU 86 -36.974 45.448 -23.925 1.00 51.24 ATOM 1421 HD21 LEU 86 -36.973 44.791 -23.065 1.00 74.41 ATOM 1422 HD22 LEU 86 -37.810 45.200 -24.565 1.00 30.42 ATOM 1423 HD23 LEU 86 -37.073 46.472 -23.593 1.00 1.55 ATOM 1424 C LEU 86 -33.118 45.951 -25.901 1.00 2.01 ATOM 1425 O LEU 86 -33.629 47.029 -26.203 1.00 22.14 ATOM 1426 N GLU 87 -32.560 45.138 -26.793 1.00 54.31 ATOM 1427 HN GLU 87 -32.177 44.278 -26.495 1.00 38.28 ATOM 1428 CA GLU 87 -32.516 45.477 -28.211 1.00 34.52 ATOM 1429 HA GLU 87 -32.377 46.550 -28.304 1.00 45.20 ATOM 1430 CB GLU 87 -31.333 44.781 -28.887 1.00 52.03 ATOM 1431 HB1 GLU 87 -31.434 43.713 -28.755 1.00 38.28 ATOM 1432 HB2 GLU 87 -30.425 45.107 -28.397 1.00 42.03 ATOM 1433 CG GLU 87 -31.226 45.071 -30.375 1.00 74.21 ATOM 1434 HG1 GLU 87 -31.585 46.073 -30.575 1.00 38.28 ATOM 1435 HG2 GLU 87 -31.837 44.360 -30.911 1.00 14.23 ATOM 1436 CD GLU 87 -29.804 44.965 -30.889 1.00 61.44 ATOM 1437 OE1 GLU 87 -29.492 45.610 -31.912 1.00 34.10 ATOM 1438 OE2 GLU 87 -29.002 44.236 -30.268 1.00 71.34 ATOM 1439 C GLU 87 -33.817 45.082 -28.905 1.00 1.11 ATOM 1440 O GLU 87 -34.013 43.922 -29.269 1.00 53.23 ATOM 1441 N THR 88 -34.704 46.056 -29.084 1.00 71.13 ATOM 1442 HN THR 88 -34.493 46.970 -28.782 1.00 38.28 ATOM 1443 CA THR 88 -35.986 45.812 -29.732 1.00 75.34 ATOM 1444 HA THR 88 -36.171 44.742 -29.747 1.00 33.11 ATOM 1445 CB THR 88 -37.139 46.494 -28.972 1.00 52.21 ATOM 1446 HB THR 88 -37.419 47.417 -29.467 1.00 10.03 ATOM 1447 OG1 THR 88 -36.723 46.821 -27.641 1.00 62.34 ATOM 1448 HG1 THR 88 -37.260 47.542 -27.301 1.00 2.52 ATOM 1449 CG2 THR 88 -38.362 45.591 -28.919 1.00 51.10 ATOM 1450 HG21 THR 88 -38.694 45.370 -29.924 1.00 61.50 ATOM 1451 HG22 THR 88 -39.154 46.092 -28.382 1.00 61.42 ATOM 1452 HG23 THR 88 -38.112 44.670 -28.411 1.00 14.33 ATOM 1453 C THR 88 -35.978 46.310 -31.173 1.00 70.51 ATOM 1454 O THR 88 -36.988 46.803 -31.675 1.00 14.11 ATOM 1455 N ILE 89 -34.833 46.176 -31.834 1.00 2.35 ATOM 1456 HN ILE 89 -34.064 45.744 -31.409 1.00 38.28 ATOM 1457 CA ILE 89 -34.695 46.611 -33.218 1.00 3.42 ATOM 1458 HA ILE 89 -35.390 47.426 -33.393 1.00 2.23 ATOM 1459 CB ILE 89 -33.273 47.130 -33.506 1.00 34.31 ATOM 1460 HB ILE 89 -32.580 46.302 -33.427 1.00 4.35 ATOM 1461 CG1 ILE 89 -32.881 48.200 -32.485 1.00 43.04 ATOM 1462 HG11 ILE 89 -31.870 48.528 -32.688 1.00 38.28 ATOM 1463 HG12 ILE 89 -32.918 47.782 -31.489 1.00 64.11 ATOM 1464 CG2 ILE 89 -33.188 47.682 -34.921 1.00 2.42 ATOM 1465 HG21 ILE 89 -32.233 48.171 -35.065 1.00 3.41 ATOM 1466 HG22 ILE 89 -33.981 48.396 -35.092 1.00 52.52 ATOM 1467 HG23 ILE 89 -33.276 46.874 -35.632 1.00 22.03 ATOM 1468 CD1 ILE 89 -33.776 49.419 -32.514 1.00 3.23 ATOM 1469 HD11 ILE 89 -34.530 49.347 -33.283 1.00 43.23 ATOM 1470 HD12 ILE 89 -33.173 50.296 -32.698 1.00 53.33 ATOM 1471 HD13 ILE 89 -34.261 49.523 -31.553 1.00 0.53 ATOM 1472 C ILE 89 -35.016 45.477 -34.185 1.00 41.22 ATOM 1473 O ILE 89 -34.262 44.511 -34.298 1.00 21.40 ATOM 1474 N VAL 90 -36.140 45.603 -34.883 1.00 71.24 ATOM 1475 HN VAL 90 -36.717 46.391 -34.743 1.00 38.28 ATOM 1476 CA VAL 90 -36.560 44.590 -35.844 1.00 74.13 ATOM 1477 HA VAL 90 -35.690 44.012 -36.144 1.00 42.50 ATOM 1478 CB VAL 90 -37.589 43.624 -35.227 1.00 70.43 ATOM 1479 HB VAL 90 -37.162 43.200 -34.330 1.00 62.24 ATOM 1480 CG1 VAL 90 -38.858 44.369 -34.844 1.00 34.54 ATOM 1481 HG11 VAL 90 -39.509 43.701 -34.299 1.00 52.34 ATOM 1482 HG12 VAL 90 -39.372 44.718 -35.729 1.00 34.45 ATOM 1483 HG13 VAL 90 -38.613 45.213 -34.214 1.00 14.14 ATOM 1484 CG2 VAL 90 -37.898 42.488 -36.192 1.00 10.34 ATOM 1485 HG21 VAL 90 -38.505 41.751 -35.687 1.00 35.14 ATOM 1486 HG22 VAL 90 -36.978 42.024 -36.520 1.00 43.22 ATOM 1487 HG23 VAL 90 -38.437 42.861 -37.051 1.00 15.53 ATOM 1488 C VAL 90 -37.164 45.230 -37.089 1.00 41.22 ATOM 1489 O VAL 90 -37.811 46.274 -37.010 1.00 33.21 ATOM 1490 N GLN 91 -36.947 44.597 -38.238 1.00 13.33 ATOM 1491 HN GLN 91 -36.432 43.755 -38.237 1.00 38.28 ATOM 1492 HA GLN 91 -37.438 46.190 -39.475 1.00 55.34 ATOM 1493 CB GLN 91 -36.605 44.625 -40.666 1.00 23.21 ATOM 1494 HB1 GLN 91 -36.598 43.544 -40.675 1.00 38.28 ATOM 1495 HB2 GLN 91 -35.595 44.979 -40.506 1.00 20.22 ATOM 1496 CG GLN 91 -37.087 45.111 -42.023 1.00 51.01 ATOM 1497 HG1 GLN 91 -37.414 46.140 -41.939 1.00 38.28 ATOM 1498 HG2 GLN 91 -37.918 44.497 -42.336 1.00 20.35 ATOM 1499 CD GLN 91 -36.009 45.039 -43.086 1.00 64.40 ATOM 1500 OE1 GLN 91 -34.943 44.462 -42.867 1.00 43.31 ATOM 1501 NE2 GLN 91 -36.280 45.624 -44.246 1.00 54.53 ATOM 1502 HE21 GLN 91 -37.149 46.070 -44.366 1.00 20.11 ATOM 1503 HE22 GLN 91 -35.595 45.588 -44.946 1.00 31.33 ATOM 1504 CA GLN 91 -37.470 45.106 -39.500 1.00 53.01 ATOM 1505 C GLN 91 -38.915 44.665 -39.708 1.00 72.32 ATOM 1506 OT1 GLN 91 -39.177 43.442 -39.663 1.00 38.28 ATOM 1507 OT2 GLN 91 -39.778 45.545 -39.915 1.00 38.28 ATOM 1508 OH2 TIP3 1 -31.416 18.998 -1.426 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -31.465 18.043 -1.463 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -32.242 19.266 -1.024 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -34.134 22.866 -0.319 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -33.934 23.290 -1.154 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -33.478 23.209 0.288 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -31.871 16.039 -1.483 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -32.723 16.277 -1.850 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -31.281 16.022 -2.236 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -31.705 21.528 -6.443 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -31.727 21.713 -5.504 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -31.015 22.097 -6.784 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -32.142 21.095 -3.521 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -32.629 20.360 -3.892 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -31.593 20.702 -2.843 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -35.116 22.714 -4.576 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -35.298 23.630 -4.787 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -34.940 22.304 -5.423 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -33.769 20.149 -0.713 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -34.551 19.963 -1.233 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -33.841 21.078 -0.496 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -36.816 19.850 8.867 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -36.391 19.143 8.382 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -36.499 20.651 8.450 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -35.657 17.751 7.376 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -35.914 17.061 6.764 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -35.586 17.308 8.221 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -32.333 18.767 2.452 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -32.260 19.706 2.622 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -31.428 18.462 2.395 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -36.921 21.498 3.115 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -36.546 20.754 2.644 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -36.917 21.228 4.033 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -37.252 21.424 5.864 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -38.187 21.524 6.043 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -36.972 20.715 6.442 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -33.539 19.025 5.001 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -33.912 18.199 5.311 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -33.262 18.842 4.104 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -34.421 20.878 12.184 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -34.577 21.556 11.527 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -33.489 20.950 12.387 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -35.414 19.793 1.641 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -35.131 18.999 2.094 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -34.674 20.026 1.080 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -31.705 21.528 12.413 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -31.727 21.713 13.352 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -31.015 22.097 12.072 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -34.967 21.618 7.985 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -34.314 21.271 7.377 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -34.456 22.107 8.631 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -38.469 40.190 -46.462 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -37.849 39.513 -46.735 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -38.677 39.972 -45.554 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -35.068 36.925 -44.326 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -36.010 36.983 -44.165 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -34.792 37.831 -44.463 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -36.816 38.706 -47.701 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -36.391 37.999 -48.186 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -36.499 39.507 -48.118 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -37.771 37.247 -43.741 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -38.012 37.909 -43.093 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -37.969 36.413 -43.316 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -44.961 38.215 -38.994 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -44.953 38.079 -39.942 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -45.877 38.097 -38.742 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -40.437 37.428 -40.262 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -40.350 38.254 -39.787 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -41.301 37.098 -40.013 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -34.134 41.722 -38.031 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -33.934 42.146 -38.866 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -33.478 42.065 -37.424 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -37.566 36.850 -40.399 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -38.467 37.033 -40.667 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -37.532 37.109 -39.478 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -41.894 38.829 -42.521 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -41.531 39.684 -42.754 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -41.362 38.537 -41.780 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -35.691 39.480 -40.351 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -36.293 38.925 -40.846 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -35.410 40.147 -40.977 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -34.421 39.734 -44.384 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -34.577 40.412 -45.041 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -33.489 39.806 -44.181 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -44.110 39.324 -36.536 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -43.342 38.865 -36.195 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -44.131 39.098 -37.466 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -37.533 37.704 -37.807 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -37.884 36.848 -37.564 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -36.807 37.847 -37.200 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -31.705 40.384 -44.155 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -31.727 40.569 -43.216 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -31.015 40.953 -44.496 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -32.142 39.951 -41.233 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -32.629 39.216 -41.604 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -31.593 39.558 -40.555 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -33.691 35.741 -36.595 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -34.557 35.636 -36.201 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -33.315 36.500 -36.148 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -33.750 37.714 -42.002 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -34.398 38.039 -41.377 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -34.268 37.274 -42.677 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -34.967 40.474 -48.583 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -34.314 40.127 -49.191 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -34.456 40.963 -47.937 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -44.628 38.378 -41.781 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -45.053 39.187 -42.064 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -43.723 38.463 -42.083 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -44.759 41.234 -42.704 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -45.624 41.306 -42.300 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -44.814 41.781 -43.488 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -40.048 41.122 -43.528 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -40.505 41.651 -44.182 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -39.885 41.725 -42.803 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -37.721 40.000 -42.583 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -38.625 40.165 -42.849 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -37.292 40.853 -42.649 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -43.133 39.437 -45.320 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -42.920 38.549 -45.607 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -43.068 39.403 -44.365 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -33.769 39.005 -38.425 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -34.551 38.819 -38.945 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -33.841 39.934 -38.208 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -38.469 40.190 -27.606 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -37.849 39.513 -27.879 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -38.677 39.972 -26.698 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -35.068 36.925 -25.470 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -36.010 36.983 -25.309 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -34.792 37.831 -25.607 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -36.816 38.706 -28.845 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -36.391 37.999 -29.330 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -36.499 39.507 -29.262 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -35.657 36.607 -30.336 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -35.914 35.917 -30.948 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -35.586 36.164 -29.491 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -37.771 37.247 -24.885 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -38.012 37.909 -24.237 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -37.969 36.413 -24.460 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -39.495 38.244 -30.015 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -39.021 38.539 -29.237 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -40.058 38.982 -30.248 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -32.333 37.623 -35.260 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -32.260 38.562 -35.090 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -31.428 37.318 -35.317 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -31.416 37.854 -20.282 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -31.465 36.899 -20.319 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -32.242 38.122 -19.880 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -40.023 41.200 -31.600 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -40.098 41.079 -32.546 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -39.990 42.150 -31.481 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -37.252 40.280 -31.848 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -38.187 40.380 -31.669 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -36.972 39.571 -31.270 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -34.134 41.722 -19.175 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -33.934 42.146 -20.010 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -33.478 42.065 -18.568 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -39.210 35.663 -33.705 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -39.505 36.489 -33.323 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -39.913 35.043 -33.509 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -31.871 34.895 -20.339 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -32.723 35.133 -20.706 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -31.281 34.878 -21.092 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -33.539 37.881 -32.711 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -33.912 37.055 -32.401 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -33.262 37.698 -33.608 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -36.147 35.857 -34.890 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -35.794 35.477 -34.086 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -37.096 35.764 -34.804 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -35.691 39.480 -21.495 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -36.293 38.925 -21.990 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -35.410 40.147 -22.121 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -31.643 40.337 -34.689 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -30.900 40.923 -34.829 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -32.338 40.905 -34.356 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -42.056 36.969 -36.443 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -41.817 36.221 -36.991 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -42.325 36.581 -35.611 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -40.381 38.237 -33.238 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -41.198 38.734 -33.185 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -39.852 38.712 -33.878 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -43.043 39.280 -33.256 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -42.882 40.080 -33.757 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -43.240 39.587 -32.371 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -34.421 39.734 -25.528 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -34.577 40.412 -26.185 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -33.489 39.806 -25.325 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -40.018 38.832 -36.305 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -40.662 38.201 -35.983 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -39.256 38.301 -36.537 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -35.414 38.649 -36.071 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -35.131 37.855 -35.618 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -34.674 38.882 -36.632 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -39.107 35.606 -36.478 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -39.375 35.786 -35.577 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -39.313 34.680 -36.609 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -42.341 41.465 -34.644 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -41.408 41.623 -34.500 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -42.605 42.140 -35.269 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -31.705 40.384 -25.299 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -31.727 40.569 -24.360 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -31.015 40.953 -25.640 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -32.142 39.951 -22.377 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -32.629 39.216 -22.748 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -31.593 39.558 -21.699 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -33.691 35.741 -17.739 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -34.557 35.636 -17.345 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -33.315 36.500 -17.292 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -33.750 37.714 -23.146 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -34.398 38.039 -22.521 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -34.268 37.274 -23.821 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -40.317 39.777 -19.966 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -40.132 39.443 -19.088 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -39.470 40.086 -20.288 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -37.972 41.062 -20.722 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -37.295 40.430 -20.962 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -37.650 41.464 -19.914 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -40.048 41.122 -24.672 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -40.505 41.651 -25.326 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -39.885 41.725 -23.947 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -37.721 40.000 -23.727 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -38.625 40.165 -23.993 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -37.292 40.853 -23.793 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -32.987 40.254 -31.719 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -33.181 39.506 -32.284 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -33.026 41.012 -32.303 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -33.769 39.005 -19.569 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -34.551 38.819 -20.089 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -33.841 39.934 -19.352 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -32.234 26.180 -5.997 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -32.185 26.790 -5.261 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -31.808 26.641 -6.720 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -37.756 28.973 -6.530 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -37.613 28.026 -6.510 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -37.862 29.180 -7.459 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -35.115 26.496 -8.876 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -35.330 25.730 -8.344 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -34.459 26.968 -8.363 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -34.768 25.211 -5.197 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -35.504 25.822 -5.235 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -34.084 25.626 -5.723 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -33.971 35.173 -3.003 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -33.831 34.582 -3.742 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -33.803 36.046 -3.359 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -36.195 30.519 -3.211 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -36.115 31.282 -2.639 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -36.796 30.798 -3.902 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -32.333 37.623 -16.404 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -32.260 38.562 -16.234 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -31.428 37.318 -16.461 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -31.416 37.854 -1.426 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -31.465 36.899 -1.463 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -32.242 38.122 -1.024 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -36.507 27.679 -2.725 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -37.021 27.553 -1.928 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -36.662 28.591 -2.970 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -39.770 29.979 -0.641 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -40.333 29.275 -0.321 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -38.944 29.859 -0.174 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -38.604 30.888 -4.644 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -38.280 30.257 -5.287 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -39.044 30.353 -3.983 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -34.186 33.337 -5.088 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -33.544 33.794 -5.631 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -35.016 33.450 -5.550 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -31.871 34.895 -1.483 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -32.723 35.133 -1.850 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -31.281 34.878 -2.236 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -33.539 37.881 -13.855 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -33.912 37.055 -13.545 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -33.262 37.698 -14.752 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -36.379 32.689 -6.833 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -37.307 32.457 -6.860 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -35.928 31.912 -7.163 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -31.643 40.337 -15.833 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -30.900 40.923 -15.973 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -32.338 40.905 -15.500 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -38.834 26.454 -4.342 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -38.136 26.528 -3.692 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -39.215 25.590 -4.187 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -35.508 30.478 -8.294 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -36.305 30.063 -8.623 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -35.063 29.787 -7.803 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -35.414 38.649 -17.215 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -35.131 37.855 -16.762 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -34.674 38.882 -17.776 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -36.410 34.101 -2.674 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -35.665 34.689 -2.794 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -37.167 34.683 -2.611 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -39.001 32.895 0.582 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -38.048 32.979 0.554 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -39.161 32.184 1.201 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -37.271 29.403 1.147 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -37.079 28.472 1.036 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -36.414 29.828 1.137 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -38.483 27.054 -1.050 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -39.431 27.086 -0.918 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -38.171 26.429 -0.396 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -36.849 25.688 0.955 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -36.946 24.736 0.949 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -37.171 25.957 1.816 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -31.705 40.384 -6.443 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -31.727 40.569 -5.504 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -31.015 40.953 -6.784 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -32.142 39.951 -3.521 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -32.629 39.216 -3.892 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -31.593 39.558 -2.843 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -33.691 35.741 1.117 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -34.557 35.636 1.511 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -33.315 36.500 1.564 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -31.996 32.051 -11.545 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -32.722 31.572 -11.147 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -31.415 32.257 -10.813 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -32.237 34.836 -6.597 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -31.403 34.458 -6.878 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -32.125 35.779 -6.716 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -34.209 30.572 -10.982 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -34.359 29.627 -11.002 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -34.563 30.853 -10.138 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -33.887 28.736 -7.084 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -32.954 28.948 -7.118 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -34.122 28.838 -6.161 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -33.054 23.652 -2.786 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -33.867 23.977 -3.174 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -32.821 22.892 -3.319 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -32.987 40.254 -12.863 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -33.181 39.506 -13.428 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -33.026 41.012 -13.447 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -36.945 22.932 0.594 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -36.869 22.506 1.448 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -36.052 22.946 0.252 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -32.234 26.180 12.859 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -32.185 26.790 13.595 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -31.808 26.641 12.136 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -36.879 27.205 7.999 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -36.233 26.876 8.624 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -36.369 27.723 7.376 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -31.842 27.658 15.095 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -32.531 28.316 15.000 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -31.827 27.461 16.032 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -35.115 26.496 9.980 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -35.330 25.730 10.512 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -34.459 26.968 10.493 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -39.444 30.593 2.664 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -38.743 30.615 3.315 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -39.142 29.965 2.008 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -32.129 31.513 13.919 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -32.781 32.208 14.008 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -31.664 31.723 13.109 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -36.092 32.345 6.577 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -36.824 32.573 7.150 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -35.645 31.631 7.032 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -37.221 31.507 4.262 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -36.642 31.657 5.009 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -36.807 31.978 3.539 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -32.333 37.623 2.452 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -32.260 38.562 2.622 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -31.428 37.318 2.395 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -35.744 32.540 1.892 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -35.702 32.317 0.962 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -34.895 32.938 2.082 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -37.438 27.018 3.181 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -38.376 27.130 3.030 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -37.141 27.875 3.487 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -36.720 28.885 4.842 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -35.828 28.748 5.161 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -36.663 29.676 4.305 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -36.147 35.857 2.822 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -35.794 35.477 3.626 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -37.096 35.764 2.908 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -31.643 40.337 3.023 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -30.900 40.923 2.883 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -32.338 40.905 3.356 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -35.281 34.530 5.048 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -35.558 33.802 5.604 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -34.354 34.649 5.254 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -38.050 26.106 5.611 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -37.830 26.578 4.808 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -37.492 26.501 6.282 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -32.390 33.998 5.487 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -31.540 34.419 5.615 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -32.385 33.258 6.095 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -31.996 32.051 7.311 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -32.722 31.572 7.709 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -31.415 32.257 8.043 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -32.237 34.836 12.259 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -31.403 34.458 11.978 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -32.125 35.779 12.140 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -34.209 30.572 7.874 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -34.359 29.627 7.854 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -34.563 30.853 8.718 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -34.499 28.155 6.336 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -34.219 27.248 6.461 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -33.740 28.589 5.947 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -33.887 28.736 11.772 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -32.954 28.948 11.738 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -34.122 28.838 12.695 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -34.482 23.208 10.505 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -33.878 23.756 10.004 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -35.351 23.528 10.265 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -37.161 23.692 9.677 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -37.085 23.787 8.728 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -37.437 22.784 9.806 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -38.219 51.747 -48.395 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -38.130 52.691 -48.527 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -38.858 51.472 -49.053 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -39.286 51.002 -44.976 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -39.324 50.356 -44.271 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -39.609 50.536 -45.747 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -36.879 46.061 -48.569 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -36.233 45.732 -47.944 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -36.369 46.579 -49.192 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -45.791 44.848 -42.896 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -46.010 45.378 -43.662 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -46.459 45.075 -42.248 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -41.765 42.154 -45.443 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -41.882 41.205 -45.497 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -42.620 42.486 -45.170 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -32.129 50.369 -42.649 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -32.781 51.064 -42.560 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -31.664 50.579 -43.459 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -36.195 49.375 -40.923 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -36.115 50.138 -40.351 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -36.796 49.654 -41.614 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -44.496 43.057 -44.665 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -45.357 42.970 -45.073 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -44.518 43.913 -44.238 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -44.405 48.023 -43.570 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -45.047 47.982 -42.861 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -44.368 48.949 -43.808 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -38.872 48.660 -49.841 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -39.281 49.475 -50.133 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -38.152 48.520 -50.456 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -37.868 48.106 -47.027 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -38.063 48.711 -47.742 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -37.686 47.272 -47.462 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -46.655 48.343 -41.703 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -46.693 48.743 -40.835 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -47.146 47.526 -41.613 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -38.604 49.744 -42.356 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -38.280 49.113 -42.999 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -39.044 49.209 -41.695 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -41.826 45.671 -47.572 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -42.737 45.728 -47.283 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -41.321 45.611 -46.761 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -40.506 48.459 -45.685 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -39.942 47.912 -46.232 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -40.654 47.937 -44.896 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -41.880 46.847 -43.271 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -42.715 47.301 -43.161 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -41.356 47.123 -42.519 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -34.186 52.193 -42.800 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -33.544 52.650 -43.343 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -35.016 52.306 -43.262 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -39.816 53.244 -40.349 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -40.162 52.863 -39.543 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -40.016 54.178 -40.278 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -36.720 47.741 -51.726 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -35.828 47.604 -51.407 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -36.663 48.532 -52.263 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -42.186 50.333 -38.289 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -42.482 50.167 -39.184 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -41.255 50.113 -38.299 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -31.871 53.751 -39.195 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -32.723 53.989 -39.562 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -31.281 53.734 -39.948 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -36.379 51.545 -44.545 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -37.307 51.313 -44.572 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -35.928 50.768 -44.875 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -47.569 45.569 -40.944 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -48.462 45.908 -41.011 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -47.668 44.714 -40.526 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -38.050 44.962 -50.957 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -37.830 45.434 -51.760 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -37.492 45.357 -50.286 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -40.850 46.690 -50.122 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -40.038 47.194 -50.076 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -41.095 46.545 -49.208 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -39.966 43.771 -49.184 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -40.313 44.389 -48.539 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -39.308 44.272 -49.665 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -35.508 49.334 -46.006 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -36.305 48.919 -46.335 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -35.063 48.643 -45.515 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -36.410 52.957 -40.386 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -35.665 53.545 -40.506 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -37.167 53.539 -40.323 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -44.021 49.280 -40.408 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -44.639 49.955 -40.127 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -43.677 49.601 -41.241 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -39.001 51.751 -37.130 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -38.048 51.835 -37.158 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -39.161 51.040 -36.511 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -43.681 46.635 -39.325 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -43.531 45.906 -39.928 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -43.679 47.412 -39.884 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -43.269 45.005 -41.833 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -42.733 45.456 -42.485 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -44.121 44.897 -42.255 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -41.687 50.444 -41.593 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -40.936 50.288 -42.166 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -42.026 51.296 -41.869 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -35.955 51.048 -38.487 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -36.236 51.757 -39.065 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -35.012 50.975 -38.638 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -45.203 47.833 -37.414 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -45.970 47.301 -37.624 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -44.524 47.523 -38.013 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -47.022 45.754 -37.709 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -46.811 45.047 -38.320 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -47.134 45.316 -36.865 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -33.691 54.597 -36.595 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -34.557 54.492 -36.201 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -33.315 55.356 -36.148 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -34.209 49.428 -48.694 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -34.359 48.483 -48.714 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -34.563 49.709 -47.850 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -33.353 51.398 -39.055 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -32.770 50.664 -38.864 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -32.789 52.170 -39.009 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -31.856 49.301 -38.371 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -32.719 48.922 -38.536 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -31.252 48.562 -38.445 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -34.499 47.011 -50.232 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -34.219 46.104 -50.107 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -33.740 47.445 -50.621 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -33.858 48.329 -42.020 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -34.701 48.597 -41.654 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -33.415 49.151 -42.231 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -31.575 42.309 -36.666 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -31.225 41.655 -37.272 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -31.428 43.146 -37.106 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -33.885 44.274 -50.183 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -33.703 43.825 -49.358 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -34.485 43.689 -50.647 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -32.055 44.418 -38.317 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -32.972 44.689 -38.353 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -31.932 43.883 -39.101 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -39.624 43.957 -46.175 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -40.299 43.328 -45.920 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -39.060 43.473 -46.778 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -34.482 42.064 -46.063 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -33.878 42.612 -46.564 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -35.351 42.384 -46.303 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -32.755 43.203 -47.729 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -32.143 42.689 -48.256 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -32.372 44.081 -47.706 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -37.161 42.548 -46.891 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -37.085 42.643 -47.840 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -37.437 41.640 -46.762 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -35.808 42.574 -51.198 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -36.511 43.188 -51.408 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -36.253 41.736 -51.067 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -45.367 42.456 -37.300 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -44.468 42.182 -37.485 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -45.753 41.713 -36.836 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -38.219 51.747 -29.539 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -38.130 52.691 -29.671 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -38.858 51.472 -30.197 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -39.286 51.002 -26.120 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -39.324 50.356 -25.415 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -39.609 50.536 -26.891 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -35.580 53.941 -27.818 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -36.021 53.221 -27.368 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -35.593 54.662 -27.188 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -44.601 45.930 -28.114 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -44.558 46.790 -28.532 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -45.059 45.378 -28.747 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -42.825 49.877 -28.136 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -42.209 49.351 -27.627 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -43.411 49.237 -28.540 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -38.422 54.348 -30.496 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -38.718 54.026 -31.347 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -38.746 55.248 -30.454 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -41.765 42.154 -26.587 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -41.882 41.205 -26.641 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -42.620 42.486 -26.314 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -35.657 55.463 -30.336 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -35.914 54.773 -30.948 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -35.586 55.020 -29.491 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -33.971 54.029 -21.859 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -33.831 53.438 -22.598 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -33.803 54.902 -22.215 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -39.498 50.991 -32.087 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -40.210 51.526 -32.438 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -38.807 51.047 -32.747 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -39.444 49.449 -35.048 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -38.743 49.471 -34.397 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -39.142 48.821 -35.704 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -36.195 49.375 -22.067 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -36.115 50.138 -21.495 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -36.796 49.654 -22.758 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -32.333 56.479 -35.260 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -32.260 57.418 -35.090 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -31.428 56.174 -35.317 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -34.264 48.203 -19.802 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -34.671 48.684 -20.522 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -34.223 47.298 -20.109 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -44.496 43.057 -25.809 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -45.357 42.970 -26.217 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -44.518 43.913 -25.382 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -39.833 42.779 -22.435 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -39.413 42.364 -21.682 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -40.766 42.601 -22.318 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -35.744 51.396 -35.820 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -35.702 51.173 -36.750 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -34.895 51.794 -35.630 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -44.405 48.023 -24.714 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -45.047 47.982 -24.005 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -44.368 48.949 -24.952 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -44.408 48.244 -29.802 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -45.301 47.903 -29.861 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -43.957 47.867 -30.558 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -39.770 48.835 -19.497 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -40.333 48.131 -19.177 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -38.944 48.715 -19.030 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -43.289 45.717 -36.049 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -43.720 45.272 -35.319 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -44.007 46.089 -36.561 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -38.604 49.744 -23.500 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -38.280 49.113 -24.143 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -39.044 49.209 -22.839 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -43.345 47.300 -32.233 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -42.413 47.429 -32.055 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -43.560 47.970 -32.882 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -44.671 48.495 -34.666 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -45.213 48.115 -35.357 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -43.837 48.689 -35.095 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -40.506 48.459 -26.829 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -39.942 47.912 -27.376 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -40.654 47.937 -26.040 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -45.504 44.595 -30.411 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -45.821 43.693 -30.446 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -44.723 44.597 -30.963 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -41.880 46.847 -24.415 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -42.715 47.301 -24.305 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -41.356 47.123 -23.663 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -41.336 53.060 -32.730 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -42.080 52.553 -33.053 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -41.470 53.109 -31.784 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -34.186 52.193 -23.944 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -33.544 52.650 -24.487 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -35.016 52.306 -24.406 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -39.210 54.519 -33.705 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -39.505 55.345 -33.323 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -39.913 53.899 -33.509 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -31.871 53.751 -20.339 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -32.723 53.989 -20.706 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -31.281 53.734 -21.092 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -33.539 56.737 -32.711 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -33.912 55.911 -32.401 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -33.262 56.554 -33.608 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -36.379 51.545 -25.689 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -37.307 51.313 -25.716 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -35.928 50.768 -26.019 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -36.147 54.713 -34.890 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -35.794 54.333 -34.086 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -37.096 54.620 -34.804 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -35.281 53.386 -32.664 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -35.558 52.658 -32.108 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -34.354 53.505 -32.458 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -40.314 47.676 -22.081 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -40.195 48.250 -21.324 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -39.659 46.988 -21.966 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -44.309 44.834 -33.640 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -44.392 45.723 -33.294 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -43.419 44.569 -33.409 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -36.410 52.957 -21.530 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -35.665 53.545 -21.650 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -37.167 53.539 -21.467 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -42.239 49.630 -35.645 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -42.419 49.476 -36.573 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -41.288 49.738 -35.601 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -32.849 51.985 -36.200 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -33.122 51.560 -37.013 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -32.809 52.916 -36.417 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -43.681 46.635 -20.469 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -43.531 45.906 -21.072 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -43.679 47.412 -21.028 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -43.269 45.005 -22.977 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -42.733 45.456 -23.629 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -44.121 44.897 -23.399 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -41.687 50.444 -22.737 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -40.936 50.288 -23.310 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -42.026 51.296 -23.013 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -37.271 48.259 -17.709 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -37.079 47.328 -17.820 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -36.414 48.684 -17.719 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -35.955 51.048 -19.631 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -36.236 51.757 -20.209 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -35.012 50.975 -19.782 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -42.463 42.461 -22.545 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -42.561 43.408 -22.651 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -43.206 42.089 -23.021 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -41.199 46.783 -18.982 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -41.435 46.563 -18.080 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -41.982 46.576 -19.491 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -38.483 45.910 -19.906 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -39.431 45.942 -19.774 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -38.171 45.285 -19.252 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -36.849 44.544 -17.901 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -36.946 43.592 -17.907 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -37.171 44.813 -17.040 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -42.241 41.755 -19.874 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -41.529 41.115 -19.888 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -42.342 42.022 -20.788 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -32.237 53.692 -25.453 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -31.403 53.314 -25.734 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -32.125 54.635 -25.572 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -33.353 51.398 -20.199 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -32.770 50.664 -20.008 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -32.789 52.170 -20.153 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -42.718 42.518 -29.684 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -41.844 42.906 -29.714 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -42.854 42.303 -28.761 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -46.600 44.305 -35.251 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -46.109 43.675 -35.779 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -45.977 44.601 -34.588 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -36.945 41.788 -18.262 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -36.869 41.362 -17.408 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -36.052 41.802 -18.604 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -32.234 45.036 -5.997 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -32.185 45.646 -5.261 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -31.808 45.497 -6.720 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -31.842 46.514 -3.761 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -32.531 47.172 -3.856 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -31.827 46.317 -2.824 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -33.523 42.113 -14.781 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -34.422 42.252 -14.486 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -33.271 42.944 -15.183 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -32.849 51.985 -17.344 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -33.122 51.560 -18.157 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -32.809 52.916 -17.561 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -32.390 52.854 -13.369 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -31.540 53.275 -13.241 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -32.385 52.114 -12.761 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -31.996 50.907 -11.545 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -32.722 50.428 -11.147 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -31.415 51.113 -10.813 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -33.379 48.048 -16.603 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -33.282 48.715 -17.283 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -33.519 47.232 -17.085 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -34.209 49.428 -10.982 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -34.359 48.483 -11.002 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -34.563 49.709 -10.138 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -34.131 45.456 -17.486 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -33.521 45.084 -16.849 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -34.968 45.034 -17.290 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -34.499 47.011 -12.520 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -34.219 46.104 -12.395 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -33.740 47.445 -12.909 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -31.575 42.309 1.046 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -31.225 41.655 0.440 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -31.428 43.146 0.606 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -33.885 44.274 -12.471 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -33.703 43.825 -11.646 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -34.485 43.689 -12.935 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -32.019 44.341 -15.943 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -31.606 43.620 -16.419 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -31.337 45.011 -15.885 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -33.054 42.508 -2.786 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -33.867 42.833 -3.174 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -32.821 41.748 -3.319 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -32.755 43.203 -10.017 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -32.143 42.689 -10.544 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -32.372 44.081 -9.994 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -12.560 0.142 17.430 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -12.609 -0.813 17.393 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -13.386 0.410 17.832 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -15.278 22.866 -19.175 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -15.078 23.290 -20.010 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -14.622 23.209 -18.568 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -14.835 16.885 -17.739 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -15.701 16.780 -17.345 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -14.459 17.644 -17.292 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -19.363 14.035 -10.683 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -19.274 14.979 -10.815 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -20.002 13.760 -11.341 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -20.430 13.290 -7.264 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -20.468 12.644 -6.559 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -20.753 12.824 -8.035 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -27.138 17.355 -7.136 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -27.508 16.553 -7.505 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -26.197 17.186 -7.089 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -22.041 15.723 -6.858 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -21.737 15.037 -7.452 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -21.319 15.841 -6.240 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -13.378 7.324 -5.997 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -13.329 7.934 -5.261 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -12.952 7.785 -6.720 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -18.900 10.117 -6.530 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -18.757 9.170 -6.510 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -19.006 10.324 -7.459 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -18.023 8.349 -10.857 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -17.377 8.020 -10.232 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -17.513 8.867 -11.480 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -12.986 8.802 -3.761 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -13.675 9.460 -3.856 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -12.971 8.605 -2.824 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -19.566 16.636 -11.640 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -19.862 16.314 -12.491 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -19.890 17.536 -11.598 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -24.366 14.812 -4.896 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -25.106 15.410 -4.793 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -23.652 15.366 -5.212 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -16.259 7.640 -8.876 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -16.474 6.874 -8.344 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -15.603 8.112 -8.363 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -25.958 16.776 -4.109 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -25.964 17.655 -4.487 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -26.812 16.693 -3.684 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -15.912 6.355 -5.197 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -16.648 6.966 -5.235 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -15.228 6.770 -5.723 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -16.801 17.751 -11.480 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -17.058 17.061 -12.092 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -16.730 17.308 -10.635 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -20.642 13.279 -13.231 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -21.354 13.814 -13.582 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -19.951 13.335 -13.891 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -17.236 13.489 -12.279 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -17.968 13.717 -11.706 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -16.789 12.775 -11.824 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -24.224 17.547 -7.715 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -24.319 16.969 -8.472 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -23.495 17.176 -7.219 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -18.365 12.651 -14.594 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -17.786 12.801 -13.847 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -17.951 13.122 -15.317 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -27.424 13.485 -2.817 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -27.354 14.136 -2.119 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -28.315 13.588 -3.152 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -20.639 19.388 -11.159 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -20.165 19.683 -10.381 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -21.202 20.126 -11.392 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -13.477 18.767 -16.404 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -13.404 19.706 -16.234 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -12.572 18.462 -16.461 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -30.508 15.552 -3.992 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -31.009 15.524 -4.807 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -30.502 14.646 -3.682 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -21.167 22.344 -12.744 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -21.242 22.223 -13.690 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -21.134 23.294 -12.625 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -18.065 21.498 -15.741 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -17.690 20.754 -16.212 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -18.061 21.228 -14.823 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -15.408 10.491 -0.946 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -15.815 10.972 -1.666 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -15.367 9.586 -1.253 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -28.259 16.875 -2.949 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -28.042 16.514 -2.089 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -29.114 16.501 -3.159 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -17.651 8.823 -2.725 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -18.165 8.697 -1.928 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -17.806 9.735 -2.970 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -16.888 13.684 -16.964 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -16.846 13.461 -17.894 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -16.039 14.082 -16.774 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -20.016 10.948 -12.129 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -20.425 11.763 -12.421 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -19.296 10.808 -12.744 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -20.914 11.123 -0.641 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -21.477 10.419 -0.321 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -20.088 11.003 -0.174 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -19.012 10.394 -9.315 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -19.207 10.999 -10.030 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -18.830 9.560 -9.750 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -18.565 7.194 -6.596 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -19.242 7.325 -5.932 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -19.051 7.039 -7.406 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -27.680 15.340 -0.711 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -26.947 15.594 -0.150 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -28.460 15.544 -0.196 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -21.650 10.747 -7.973 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -21.086 10.200 -8.520 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -21.798 10.225 -7.184 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -23.024 9.135 -5.559 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -23.859 9.589 -5.449 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -22.500 9.411 -4.807 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -17.864 10.029 -14.014 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -16.972 9.892 -13.695 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -17.807 10.820 -14.551 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -20.354 16.807 -14.849 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -20.649 17.633 -14.467 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -21.057 16.187 -14.653 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -23.330 12.621 -0.577 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -23.626 12.455 -1.472 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -22.399 12.401 -0.587 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -12.979 10.239 -14.320 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -13.533 9.843 -14.992 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -12.878 11.149 -14.597 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -14.683 19.025 -13.855 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -15.056 18.199 -13.545 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -14.406 18.842 -14.752 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -23.553 15.824 -11.124 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -23.794 16.749 -11.082 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -24.293 15.365 -10.728 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -24.869 20.846 -11.579 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -25.819 20.951 -11.527 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -24.518 21.666 -11.234 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -17.291 17.001 -16.034 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -16.938 16.621 -15.230 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -18.240 16.908 -15.948 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -12.787 21.481 -15.833 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -12.044 22.067 -15.973 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -13.482 22.049 -15.500 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -16.425 15.674 -13.808 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -16.702 14.946 -13.252 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -15.498 15.793 -13.602 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -29.062 19.662 -4.797 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -28.845 18.730 -4.828 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -28.815 19.936 -3.913 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -19.978 7.598 -4.342 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -19.280 7.672 -3.692 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -20.359 6.734 -4.187 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -21.525 19.381 -14.382 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -22.342 19.878 -14.329 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -20.996 19.856 -15.022 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -21.458 9.964 -3.225 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -21.339 10.538 -2.468 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -20.803 9.276 -3.110 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -15.254 7.871 -2.390 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -16.170 8.134 -2.478 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -14.918 7.868 -3.287 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -16.652 11.622 -8.294 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -17.449 11.207 -8.623 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -16.207 10.931 -7.803 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -29.851 21.549 -0.444 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -29.311 21.332 0.315 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -30.332 20.743 -0.634 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -16.558 19.793 -17.215 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -16.275 18.999 -16.762 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -15.818 20.026 -17.776 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -29.944 15.359 0.510 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -29.800 14.457 0.224 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -30.717 15.645 0.022 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -23.289 15.329 -0.057 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -23.617 15.600 -0.915 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -23.137 14.388 -0.145 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -13.993 14.273 -17.344 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -14.266 13.848 -18.157 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -13.953 15.204 -17.561 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -22.831 12.732 -3.881 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -22.080 12.576 -4.454 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -23.170 13.584 -4.157 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -18.415 10.547 1.147 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -18.223 9.616 1.036 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -17.558 10.972 1.137 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -19.627 8.198 -1.050 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -20.575 8.230 -0.918 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -19.315 7.573 -0.396 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -12.872 13.096 -15.154 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -13.393 13.453 -15.873 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -12.905 13.771 -14.476 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -14.523 10.336 -16.603 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -14.426 11.003 -17.283 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -14.663 9.520 -17.085 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -15.643 9.299 -12.520 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -15.363 8.392 -12.395 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -14.884 9.733 -12.909 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -15.031 9.880 -7.084 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -14.098 10.092 -7.118 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -15.266 9.982 -6.161 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -15.029 6.562 -12.471 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -14.847 6.113 -11.646 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -15.629 5.977 -12.935 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -13.199 6.706 -0.605 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -14.116 6.977 -0.641 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -13.076 6.171 -1.389 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -28.370 22.778 -4.022 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -29.090 23.218 -4.473 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -28.736 22.527 -3.173 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -28.955 21.401 -7.111 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -28.974 20.976 -6.254 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -28.150 21.083 -7.520 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -26.814 20.111 -8.456 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -27.033 19.195 -8.287 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -25.990 20.251 -7.990 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -24.277 20.581 -7.608 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -24.064 19.693 -7.895 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -24.212 20.547 -6.653 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -20.840 21.835 -15.543 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -19.974 22.201 -15.721 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -21.087 21.395 -16.356 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -20.430 13.290 11.592 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -20.468 12.644 12.297 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -20.753 12.824 10.821 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -27.138 17.355 11.720 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -27.508 16.553 11.351 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -26.197 17.186 11.767 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -22.041 15.723 11.998 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -21.737 15.037 11.404 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -21.319 15.841 12.616 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -13.378 7.324 12.859 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -13.329 7.934 13.595 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -12.952 7.785 12.136 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -18.900 10.117 12.326 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -18.757 9.170 12.346 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -19.006 10.324 11.397 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -18.023 8.349 7.999 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -17.377 8.020 8.624 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -17.513 8.867 7.376 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -23.969 12.165 9.576 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -23.353 11.639 10.085 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -24.555 11.525 9.172 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -16.259 7.640 9.980 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -16.474 6.874 10.512 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -15.603 8.112 10.493 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -25.958 16.776 14.747 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -25.964 17.655 14.369 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -26.812 16.693 15.172 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -29.837 16.447 5.529 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -30.109 16.676 4.640 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -29.792 17.285 5.989 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -16.212 18.069 12.242 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -17.154 18.127 12.403 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -15.936 18.975 12.105 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -15.912 6.355 13.659 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -16.648 6.966 13.621 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -15.228 6.770 13.133 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -15.115 16.317 15.853 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -14.975 15.726 15.114 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -14.947 17.190 15.497 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -20.588 11.737 2.664 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -19.887 11.759 3.315 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -20.286 11.109 2.008 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -17.339 11.663 15.645 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -17.259 12.426 16.217 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -17.940 11.942 14.954 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -25.591 14.119 8.460 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -25.921 13.749 7.641 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -25.003 13.449 8.806 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -24.224 17.547 11.141 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -24.319 16.969 10.384 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -23.495 17.176 11.637 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -18.915 18.391 12.827 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -19.156 19.053 13.475 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -19.113 17.557 13.252 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -18.365 12.651 4.262 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -17.786 12.801 5.009 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -17.951 13.122 3.539 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -26.105 19.359 17.574 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -26.097 19.223 16.626 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -27.021 19.241 17.826 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -26.601 13.189 6.049 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -26.893 13.957 5.558 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -27.275 12.529 5.886 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -30.757 18.332 11.748 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -29.811 18.188 11.729 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -30.870 19.116 12.285 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -21.581 18.572 16.306 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -21.494 19.398 16.781 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -22.445 18.242 16.555 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -15.408 10.491 17.910 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -15.815 10.972 17.190 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -15.367 9.586 17.603 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -17.651 8.823 16.131 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -18.165 8.697 16.928 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -17.806 9.735 15.886 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -16.888 13.684 1.892 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -16.846 13.461 0.962 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -16.039 14.082 2.082 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -20.016 10.948 6.727 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -20.425 11.763 6.435 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -19.296 10.808 6.112 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -19.012 10.394 9.541 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -19.207 10.999 8.826 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -18.830 9.560 9.106 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -19.748 12.032 14.212 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -19.424 11.401 13.569 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -20.188 11.497 14.873 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -18.565 7.194 12.260 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -19.242 7.325 12.924 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -19.051 7.039 11.450 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -25.815 10.783 3.046 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -26.357 10.403 2.355 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -24.981 10.977 2.617 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -21.650 10.747 10.883 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -21.086 10.200 10.336 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -21.798 10.225 11.672 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -15.330 14.481 13.768 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -14.688 14.938 13.225 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -16.160 14.594 13.306 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -17.864 10.029 4.842 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -16.972 9.892 5.161 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -17.807 10.820 4.305 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -27.355 14.643 10.751 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -26.610 14.641 10.150 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -27.277 13.819 11.233 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -18.710 17.994 16.169 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -19.611 18.177 15.901 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -18.676 18.253 17.090 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -12.979 10.239 4.536 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -13.533 9.843 3.864 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -12.878 11.149 4.259 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -23.553 15.824 7.732 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -23.794 16.749 7.774 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -24.293 15.365 8.128 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -23.038 19.973 14.047 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -22.675 20.828 13.814 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -22.506 19.681 14.788 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -19.494 16.072 13.748 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -19.920 15.845 14.574 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -18.913 15.334 13.565 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -29.062 19.662 14.059 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -28.845 18.730 14.028 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -28.815 19.936 14.943 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -27.810 14.936 4.235 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -28.496 15.288 4.802 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -27.287 15.699 3.989 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -15.254 7.871 16.466 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -16.170 8.134 16.378 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -14.918 7.868 15.569 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -27.194 17.550 3.132 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -26.602 18.249 3.408 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -26.735 17.117 2.413 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -29.140 18.936 7.082 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -29.972 19.409 7.109 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -28.594 19.446 6.483 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -29.851 21.549 18.412 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -29.311 21.332 19.171 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -30.332 20.743 18.222 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -25.254 20.468 20.032 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -24.486 20.009 20.373 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -25.275 20.242 19.102 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -18.677 18.848 18.761 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -19.028 17.992 19.004 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -17.951 18.991 19.368 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -25.603 15.703 1.498 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -25.539 14.909 2.029 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -24.950 15.584 0.809 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -17.554 15.245 16.182 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -16.809 15.833 16.062 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -18.311 15.827 16.245 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -24.454 13.675 3.804 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -24.913 13.191 4.490 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -24.199 13.007 3.168 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -23.383 11.918 2.067 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -23.563 11.764 1.139 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -22.432 12.026 2.111 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -20.145 14.039 19.438 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -19.192 14.123 19.410 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -20.305 13.328 20.057 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -17.099 13.336 18.081 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -17.380 14.045 17.503 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -16.156 13.263 17.930 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -29.917 17.245 2.551 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -29.003 17.324 2.824 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -29.910 16.558 1.884 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -30.398 20.719 9.433 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -30.732 19.838 9.605 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -30.176 21.064 10.297 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -13.534 15.142 5.487 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -12.684 15.563 5.615 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -13.529 14.402 6.095 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -13.381 15.980 12.259 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -12.547 15.602 11.978 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -13.269 16.923 12.140 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -12.872 13.096 3.702 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -13.393 13.453 2.983 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -12.905 13.771 4.380 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -14.523 10.336 2.253 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -14.426 11.003 1.573 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -14.663 9.520 1.771 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -15.643 9.299 6.336 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -15.363 8.392 6.461 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -14.884 9.733 5.947 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -15.031 9.880 11.772 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -14.098 10.092 11.738 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -15.266 9.982 12.695 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -13.199 6.706 18.251 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -14.116 6.977 18.215 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -13.076 6.171 17.467 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -25.772 19.522 14.787 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -26.197 20.331 14.504 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -24.867 19.607 14.485 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -21.461 20.921 17.746 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -21.276 20.587 18.624 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -20.614 21.230 17.424 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -14.198 4.796 16.070 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -15.011 5.121 15.682 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -13.965 4.036 15.537 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -28.370 22.778 14.834 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -29.090 23.218 14.383 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -28.736 22.527 15.683 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -25.903 22.378 13.864 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -26.768 22.450 14.268 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -25.958 22.925 13.080 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -28.955 21.401 11.745 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -28.974 20.976 12.602 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -28.150 21.083 11.336 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -13.899 5.491 8.839 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -13.287 4.977 8.312 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -13.516 6.369 8.862 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -16.801 17.751 26.232 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -17.058 17.061 25.620 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -16.730 17.308 27.077 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -17.236 13.489 25.433 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -17.968 13.717 26.006 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -16.789 12.775 25.888 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -18.365 12.651 23.118 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -17.786 12.801 23.865 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -17.951 13.122 22.395 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -21.167 22.344 24.968 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -21.242 22.223 24.022 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -21.134 23.294 25.087 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -18.065 21.498 21.971 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -17.690 20.754 21.500 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -18.061 21.228 22.889 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -16.888 13.684 20.748 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -16.846 13.461 19.818 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -16.039 14.082 20.938 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -20.354 16.807 22.863 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -20.649 17.633 23.245 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -21.057 16.187 23.059 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -12.979 10.239 23.392 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -13.533 9.843 22.720 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -12.878 11.149 23.115 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -14.683 19.025 23.857 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -15.056 18.199 24.167 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -14.406 18.842 22.960 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -17.291 17.001 21.678 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -16.938 16.621 22.482 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -18.240 16.908 21.764 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -16.425 15.674 23.904 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -16.702 14.946 24.460 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -15.498 15.793 24.110 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -24.187 20.424 23.312 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -24.026 21.224 22.811 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -24.384 20.731 24.197 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -21.162 19.976 20.263 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -21.806 19.345 20.585 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -20.400 19.445 20.031 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -16.558 19.793 20.497 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -16.275 18.999 20.950 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -15.818 20.026 19.936 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -20.251 16.750 20.090 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -20.519 16.930 20.991 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -20.457 15.824 19.959 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -23.485 22.609 21.924 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -22.552 22.767 22.068 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -23.749 23.284 21.299 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -13.140 13.195 26.167 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -13.866 12.716 26.565 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -12.559 13.401 26.899 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -14.523 10.336 21.109 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -14.426 11.003 20.429 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -14.663 9.520 20.627 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -15.353 11.716 26.730 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -15.503 10.771 26.710 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -15.707 11.997 27.574 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -15.275 7.744 20.226 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -14.665 7.372 20.863 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -16.112 7.322 20.422 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -20.840 21.835 22.169 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -19.974 22.201 21.991 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -21.087 21.395 21.356 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -14.131 21.398 24.849 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -14.325 20.650 24.284 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -14.170 22.156 24.265 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -27.886 21.545 20.797 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -28.154 21.832 21.670 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -27.115 20.999 20.949 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -29.851 40.405 -38.156 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -29.311 40.188 -37.397 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -30.332 39.599 -38.346 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -31.268 41.494 -48.940 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -31.915 41.032 -49.473 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -30.913 40.822 -48.357 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -30.398 39.575 -47.135 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -30.732 38.694 -46.963 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -30.176 39.920 -46.271 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -28.370 41.634 -41.734 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -29.090 42.074 -42.185 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -28.736 41.383 -40.885 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -28.955 40.257 -44.823 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -28.974 39.832 -43.966 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -28.150 39.939 -45.232 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -27.138 36.211 -25.992 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -27.508 35.409 -26.361 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -26.197 36.042 -25.945 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -19.613 40.190 -27.606 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -18.993 39.513 -27.879 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -19.821 39.972 -26.698 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -24.366 33.668 -23.752 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -25.106 34.266 -23.649 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -23.652 34.222 -24.068 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -25.958 35.632 -22.965 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -25.964 36.511 -23.343 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -26.812 35.549 -22.540 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -18.915 37.247 -24.885 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -19.156 37.909 -24.237 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -19.113 36.413 -24.460 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -24.344 36.143 -20.902 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -24.656 36.925 -20.446 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -24.994 35.990 -21.588 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -27.424 32.341 -21.673 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -27.354 32.992 -20.975 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -28.315 32.444 -22.008 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -30.508 34.408 -22.848 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -31.009 34.380 -23.663 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -30.502 33.502 -22.538 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -30.757 37.188 -25.964 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -29.811 37.044 -25.983 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -30.870 37.972 -25.427 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -21.581 37.428 -21.406 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -21.494 38.254 -20.931 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -22.445 37.098 -21.157 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -27.513 39.989 -29.819 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -27.361 39.641 -28.940 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -28.364 39.633 -30.074 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -28.259 35.731 -21.805 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -28.042 35.370 -20.945 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -29.114 35.357 -22.015 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -27.680 34.196 -19.567 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -26.947 34.450 -19.006 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -28.460 34.400 -19.052 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -20.960 34.388 -21.493 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -21.306 34.007 -20.687 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -21.160 35.322 -21.422 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -23.330 31.477 -19.433 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -23.626 31.311 -20.328 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -22.399 31.257 -19.443 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -18.710 36.850 -21.543 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -19.611 37.033 -21.811 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -18.676 37.109 -20.622 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -23.038 38.829 -23.665 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -22.675 39.684 -23.898 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -22.506 38.537 -22.924 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -24.869 39.702 -30.435 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -25.819 39.807 -30.383 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -24.518 40.522 -30.090 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -16.835 39.480 -21.495 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -17.437 38.925 -21.990 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -16.554 40.147 -22.121 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -29.062 38.518 -23.653 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -28.845 37.586 -23.684 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -28.815 38.792 -22.769 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -24.187 39.280 -33.256 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -24.026 40.080 -33.757 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -24.384 39.587 -32.371 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -15.565 39.734 -25.528 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -15.721 40.412 -26.185 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -14.633 39.806 -25.325 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -29.140 37.792 -30.630 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -29.972 38.265 -30.603 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -28.594 38.302 -31.229 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -18.677 37.704 -18.951 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -19.028 36.848 -18.708 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -17.951 37.847 -18.344 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -29.944 34.215 -18.346 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -29.800 33.313 -18.632 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -30.717 34.501 -18.834 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -23.289 34.185 -18.913 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -23.617 34.456 -19.771 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -23.137 33.244 -19.001 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -20.145 32.895 -18.274 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -19.192 32.979 -18.302 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -20.305 32.184 -17.655 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -17.993 25.688 -17.901 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -18.090 24.736 -17.907 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -18.315 25.957 -17.040 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -23.485 41.465 -34.644 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -22.552 41.623 -34.500 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -23.749 42.140 -35.269 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -30.398 39.575 -28.279 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -30.732 38.694 -28.107 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -30.176 39.920 -27.415 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -13.286 39.951 -22.377 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -13.773 39.216 -22.748 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -12.737 39.558 -21.699 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -14.894 37.714 -23.146 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -15.542 38.039 -22.521 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -15.412 37.274 -23.821 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -12.719 23.453 -17.810 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -12.369 22.799 -18.416 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -12.572 24.290 -18.250 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -18.865 40.000 -23.727 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -19.769 40.165 -23.993 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -18.436 40.853 -23.793 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -16.260 41.570 -23.432 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -16.442 42.486 -23.643 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -16.084 41.160 -24.279 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -28.955 40.257 -25.967 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -28.974 39.832 -25.110 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -28.150 39.939 -26.376 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -26.814 38.967 -27.312 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -27.033 38.051 -27.143 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -25.990 39.107 -26.846 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -24.277 39.437 -26.464 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -24.064 38.549 -26.751 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -24.212 39.403 -25.509 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -29.704 39.481 -32.796 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -30.389 39.443 -33.464 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -29.701 40.394 -32.508 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -27.886 40.401 -35.771 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -28.154 40.688 -34.898 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -27.115 39.855 -35.619 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -18.089 22.932 -18.262 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -18.013 22.506 -17.408 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -17.196 22.946 -18.604 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -14.913 39.005 -19.569 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -15.695 38.819 -20.089 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -14.985 39.934 -19.352 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -30.528 29.871 -11.743 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -30.976 30.717 -11.761 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -31.089 29.291 -12.258 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -29.818 32.033 -9.617 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -29.604 31.263 -9.090 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -29.080 32.122 -10.220 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -29.837 35.303 -13.327 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -30.109 35.532 -14.216 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -29.792 36.141 -12.867 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -20.588 30.593 -16.192 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -19.887 30.615 -15.541 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -20.286 29.965 -16.848 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -18.365 31.507 -14.594 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -17.786 31.657 -13.847 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -17.951 31.978 -15.317 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -26.601 32.045 -12.807 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -26.893 32.813 -13.298 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -27.275 31.385 -12.970 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -30.508 34.408 -3.992 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -31.009 34.380 -4.807 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -30.502 33.502 -3.682 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -30.757 37.188 -7.108 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -29.811 37.044 -7.127 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -30.870 37.972 -6.571 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -18.065 40.354 -15.741 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -17.690 39.610 -16.212 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -18.061 40.084 -14.823 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -18.396 40.280 -12.992 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -19.331 40.380 -12.813 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -18.116 39.571 -12.414 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -28.259 35.731 -2.949 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -28.042 35.370 -2.089 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -29.114 35.357 -3.159 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -16.888 32.540 -16.964 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -16.846 32.317 -17.894 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -16.039 32.938 -16.774 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -21.315 26.416 -16.294 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -21.569 26.435 -15.371 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -21.572 25.544 -16.595 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -25.552 29.388 -10.946 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -26.445 29.047 -11.005 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -25.101 29.011 -11.702 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -31.191 26.603 -10.141 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -30.560 26.574 -9.421 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -30.741 26.178 -10.871 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -28.142 28.444 -11.033 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -29.031 28.544 -11.373 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -27.846 27.602 -11.379 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -24.489 28.444 -13.377 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -23.557 28.573 -13.199 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -24.704 29.114 -14.026 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -15.278 41.722 -0.319 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -15.078 42.146 -1.154 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -14.622 42.065 0.288 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -27.680 34.196 -0.711 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -26.947 34.450 -0.150 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -28.460 34.400 -0.196 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -26.648 25.739 -11.555 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -26.965 24.837 -11.590 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -25.867 25.741 -12.107 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -18.582 27.018 -15.675 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -19.520 27.130 -15.826 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -18.285 27.875 -15.369 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -17.864 28.885 -14.014 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -16.972 28.748 -13.695 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -17.807 29.676 -14.551 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -12.979 29.095 -14.320 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -13.533 28.699 -14.992 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -12.878 30.005 -14.597 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -14.683 37.881 -13.855 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -15.056 37.055 -13.545 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -14.406 37.698 -14.752 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -17.291 35.857 -16.034 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -16.938 35.477 -15.230 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -18.240 35.764 -15.948 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -16.425 34.530 -13.808 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -16.702 33.802 -13.252 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -15.498 34.649 -13.602 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -29.062 38.518 -4.797 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -28.845 37.586 -4.828 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -28.815 38.792 -3.913 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -27.810 33.792 -14.621 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -28.496 34.144 -14.054 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -27.287 34.555 -14.867 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -19.194 26.106 -13.245 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -18.974 26.578 -14.048 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -18.636 26.501 -12.574 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -21.994 27.834 -12.410 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -21.182 28.338 -12.364 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -22.239 27.689 -11.496 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -21.110 24.915 -11.472 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -21.457 25.533 -10.827 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -20.452 25.416 -11.953 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -25.453 25.978 -14.784 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -25.536 26.867 -14.438 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -24.563 25.713 -14.553 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -28.070 23.852 -7.935 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -28.299 23.911 -8.862 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -28.513 23.060 -7.628 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -29.140 37.792 -11.774 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -29.972 38.265 -11.747 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -28.594 38.302 -12.373 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -29.851 40.405 -0.444 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -29.311 40.188 0.315 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -30.332 39.599 -0.634 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -21.162 38.832 -17.449 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -21.806 38.201 -17.127 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -20.400 38.301 -17.681 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -16.558 38.649 -17.215 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -16.275 37.855 -16.762 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -15.818 38.882 -17.776 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -29.944 34.215 0.510 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -29.800 33.313 0.224 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -30.717 34.501 0.022 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -25.603 34.559 -17.358 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -25.539 33.765 -16.827 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -24.950 34.440 -18.047 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -20.251 35.606 -17.622 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -20.519 35.786 -16.721 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -20.457 34.680 -17.753 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -24.454 32.531 -15.052 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -24.913 32.047 -14.366 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -24.199 31.863 -15.688 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -23.383 30.774 -16.789 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -23.563 30.620 -17.717 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -22.432 30.882 -16.745 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -13.993 33.129 -17.344 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -14.266 32.704 -18.157 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -13.953 34.060 -17.561 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -29.917 36.101 -16.305 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -29.003 36.180 -16.032 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -29.910 35.414 -16.972 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -31.268 41.494 -11.228 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -31.915 41.032 -11.761 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -30.913 40.822 -10.645 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -30.398 39.575 -9.423 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -30.732 38.694 -9.251 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -30.176 39.920 -8.559 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -12.849 40.384 -6.443 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -12.871 40.569 -5.504 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -12.159 40.953 -6.784 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -13.534 33.998 -13.369 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -12.684 34.419 -13.241 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -13.529 33.258 -12.761 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -12.872 31.952 -15.154 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -13.393 32.309 -15.873 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -12.905 32.627 -14.476 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -14.523 29.192 -16.603 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -14.426 29.859 -17.283 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -14.663 28.376 -17.085 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -15.275 26.600 -17.486 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -14.665 26.228 -16.849 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -16.112 26.178 -17.290 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -15.643 28.155 -12.520 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -15.363 27.248 -12.395 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -14.884 28.589 -12.909 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -29.499 26.233 -7.940 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -29.054 25.441 -7.638 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -29.033 26.949 -7.509 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -13.163 25.485 -15.943 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -12.750 24.764 -16.419 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -12.481 26.155 -15.885 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -16.111 40.474 -10.871 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -15.458 40.127 -11.479 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -15.600 40.963 -10.225 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -30.918 24.228 -4.472 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -31.583 23.982 -3.829 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -31.361 24.850 -5.049 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -28.442 23.735 -10.641 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -29.219 23.501 -11.149 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -27.911 22.938 -10.633 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -23.862 23.662 -10.828 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -22.988 24.050 -10.858 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -23.998 23.447 -9.905 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -29.704 39.481 -13.940 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -30.389 39.443 -14.608 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -29.701 40.394 -13.652 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -22.718 25.742 -13.938 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -22.540 25.096 -13.255 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -22.772 26.576 -13.471 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -20.840 40.691 -15.543 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -19.974 41.057 -15.721 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -21.087 40.251 -16.356 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -14.131 40.254 -12.863 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -14.325 39.506 -13.428 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -14.170 41.012 -13.447 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -16.724 35.085 9.894 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -17.165 34.365 10.344 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -16.737 35.806 10.524 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -27.138 36.211 11.720 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -27.508 35.409 11.351 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -26.197 36.042 11.767 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -19.613 40.190 10.106 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -18.993 39.513 9.833 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -19.821 39.972 11.014 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -25.958 35.632 14.747 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -25.964 36.511 14.369 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -26.812 35.549 15.172 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -29.837 35.303 5.529 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -30.109 35.532 4.640 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -29.792 36.141 5.989 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -16.212 36.925 12.242 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -17.154 36.983 12.403 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -15.936 37.831 12.105 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -17.960 38.706 8.867 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -17.535 37.999 8.382 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -17.643 39.507 8.450 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -15.115 35.173 15.853 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -14.975 34.582 15.114 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -14.947 36.046 15.497 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -13.273 31.513 13.919 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -13.925 32.208 14.008 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -12.808 31.723 13.109 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -24.224 36.403 11.141 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -24.319 35.825 10.384 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -23.495 36.032 11.637 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -18.915 37.247 12.827 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -19.156 37.909 13.475 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -19.113 36.413 13.252 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -24.344 36.143 16.810 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -24.656 36.925 17.266 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -24.994 35.990 16.124 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -27.424 32.341 16.039 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -27.354 32.992 16.737 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -28.315 32.444 15.704 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -30.508 34.408 14.864 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -31.009 34.380 14.049 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -30.502 33.502 15.174 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -30.757 37.188 11.748 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -29.811 37.044 11.729 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -30.870 37.972 12.285 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -21.581 37.428 16.306 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -21.494 38.254 16.781 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -22.445 37.098 16.555 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -21.167 41.200 6.112 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -21.242 41.079 5.166 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -21.134 42.150 6.231 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -27.513 39.989 7.893 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -27.361 39.641 8.772 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -28.364 39.633 7.638 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -18.396 40.280 5.864 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -19.331 40.380 6.043 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -18.116 39.571 6.442 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -28.259 35.731 15.907 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -28.042 35.370 16.767 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -29.114 35.357 15.697 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -15.330 33.337 13.768 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -14.688 33.794 13.225 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -16.160 33.450 13.306 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -20.960 34.388 16.219 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -21.306 34.007 17.025 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -21.160 35.322 16.290 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -30.347 31.960 16.066 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -30.124 31.542 16.898 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -30.949 31.347 15.644 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -23.330 31.477 18.279 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -23.626 31.311 17.384 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -22.399 31.257 18.269 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -18.710 36.850 16.169 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -19.611 37.033 15.901 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -18.676 37.109 17.090 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -17.523 32.689 12.023 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -18.451 32.457 11.996 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -17.072 31.912 11.693 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -24.980 37.017 8.156 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -24.453 37.790 7.955 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -25.860 37.242 7.854 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -24.869 39.702 7.277 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -25.819 39.807 7.329 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -24.518 40.522 7.622 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -19.494 34.928 13.748 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -19.920 34.701 14.574 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -18.913 34.190 13.565 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -28.713 26.713 15.624 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -29.606 27.052 15.557 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -28.812 25.858 16.042 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -24.263 36.539 3.725 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -24.116 36.019 4.515 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -24.266 37.446 4.031 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -21.525 38.237 4.474 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -22.342 38.734 4.527 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -20.996 38.712 3.834 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -27.194 36.406 3.132 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -26.602 37.105 3.408 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -26.735 35.973 2.413 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -28.070 23.852 10.921 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -28.299 23.911 9.994 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -28.513 23.060 11.228 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -29.140 37.792 7.082 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -29.972 38.265 7.109 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -28.594 38.302 6.483 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -23.289 34.185 18.799 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -23.617 34.456 17.941 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -23.137 33.244 18.711 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -17.554 34.101 16.182 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -16.809 34.689 16.062 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -18.311 34.683 16.245 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -29.112 31.415 18.786 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -28.704 30.558 18.665 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -29.372 31.430 19.707 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -20.145 32.895 19.438 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -19.192 32.979 19.410 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -20.305 32.184 20.057 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -18.415 29.403 20.003 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -18.223 28.472 19.892 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -17.558 29.828 19.993 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -17.099 32.192 18.081 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -17.380 32.901 17.503 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -16.156 32.119 17.930 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -26.347 28.977 19.154 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -27.114 28.445 18.944 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -25.668 28.667 18.555 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -28.166 26.898 18.859 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -27.955 26.191 18.248 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -28.278 26.460 19.703 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -29.917 36.101 2.551 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -29.003 36.180 2.824 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -29.910 35.414 1.884 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -30.398 39.575 9.433 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -30.732 38.694 9.605 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -30.176 39.920 10.297 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -13.381 34.836 12.259 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -12.547 34.458 11.978 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -13.269 35.779 12.140 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -30.318 32.650 11.884 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -30.134 32.568 10.949 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -29.469 32.526 12.308 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -14.497 32.542 17.513 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -13.914 31.808 17.704 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -13.933 33.314 17.559 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -13.000 30.445 18.197 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -13.863 30.066 18.032 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -12.396 29.706 18.123 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -30.720 27.921 18.025 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -29.801 27.799 18.261 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -31.170 27.171 18.414 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -29.499 26.233 10.916 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -29.054 25.441 11.218 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -29.033 26.949 11.347 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -31.195 29.232 11.985 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -30.703 29.011 11.195 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -30.833 30.073 12.266 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -16.111 40.474 7.985 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -15.458 40.127 7.377 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -15.600 40.963 8.631 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -30.918 24.228 14.384 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -31.583 23.982 15.027 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -31.361 24.850 13.807 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -26.814 38.967 10.400 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -27.033 38.051 10.569 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -25.990 39.107 10.866 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -24.277 39.437 11.248 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -24.064 38.549 10.961 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -24.212 39.403 12.203 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -29.704 39.481 4.916 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -30.389 39.443 4.248 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -29.701 40.394 5.204 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -28.484 24.249 17.732 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -28.850 23.484 18.175 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -27.571 24.278 18.019 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -26.511 23.600 19.268 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -25.612 23.326 19.083 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -26.897 22.857 19.732 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -18.089 22.932 19.450 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -18.013 22.506 20.304 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -17.196 22.946 19.108 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -20.588 30.593 21.520 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -19.887 30.615 22.171 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -20.286 29.965 20.864 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -18.365 31.507 23.118 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -17.786 31.657 23.865 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -17.951 31.978 22.395 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -14.667 23.257 22.931 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -15.566 23.396 23.226 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -14.415 24.088 22.529 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -16.888 32.540 20.748 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -16.846 32.317 19.818 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -16.039 32.938 20.938 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -20.016 29.804 25.583 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -20.425 30.619 25.291 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -19.296 29.664 24.968 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -24.489 28.444 24.335 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -23.557 28.573 24.513 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -24.704 29.114 23.686 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -25.815 29.639 21.902 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -26.357 29.259 21.211 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -24.981 29.833 21.473 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -18.582 27.018 22.037 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -19.520 27.130 21.886 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -18.285 27.875 22.343 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -17.864 28.885 23.698 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -16.972 28.748 24.017 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -17.807 29.676 23.161 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -12.979 29.095 23.392 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -13.533 28.699 22.720 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -12.878 30.005 23.115 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -19.194 26.106 24.467 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -18.974 26.578 23.664 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -18.636 26.501 25.138 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -21.994 27.834 25.302 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -21.182 28.338 25.348 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -22.239 27.689 26.216 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -21.110 24.915 26.240 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -21.457 25.533 26.885 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -20.452 25.416 25.759 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -25.453 25.978 22.928 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -25.536 26.867 23.274 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -24.563 25.713 23.159 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -28.878 29.070 21.104 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -28.923 30.009 21.283 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -29.766 28.834 20.834 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -20.251 35.606 20.090 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -20.519 35.786 20.991 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -20.457 34.680 19.959 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -24.454 32.531 22.660 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -24.913 32.047 23.346 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -24.199 31.863 22.024 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -23.383 30.774 20.923 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -23.563 30.620 19.995 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -22.432 30.882 20.967 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -13.993 33.129 20.368 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -14.266 32.704 19.555 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -13.953 34.060 20.151 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -12.872 31.952 22.558 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -13.393 32.309 21.839 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -12.905 32.627 23.236 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -14.523 29.192 21.109 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -14.426 29.859 20.429 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -14.663 28.376 20.627 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -15.643 28.155 25.192 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -15.363 27.248 25.317 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -14.884 28.589 24.803 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -15.029 25.418 25.241 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -14.847 24.969 26.066 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -15.629 24.833 24.777 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -16.952 23.718 24.226 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -17.655 24.332 24.016 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -17.397 22.880 24.357 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -27.744 25.449 21.317 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -27.253 24.819 20.789 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -27.121 25.745 21.980 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -22.718 25.742 23.774 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -22.540 25.096 24.457 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -22.772 26.576 24.241 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -29.125 48.327 -46.208 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -28.471 47.777 -45.776 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -29.101 48.053 -47.124 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -31.191 45.459 -47.853 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -30.560 45.430 -47.133 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -30.741 45.034 -48.583 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -30.347 50.816 -40.502 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -30.124 50.398 -39.670 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -30.949 50.203 -40.924 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -28.713 45.569 -40.944 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -29.606 45.908 -41.011 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -28.812 44.714 -40.526 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -28.070 42.708 -45.647 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -28.299 42.767 -46.574 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -28.513 41.916 -45.340 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -29.944 53.071 -37.202 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -29.800 52.169 -37.488 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -30.717 53.357 -37.690 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -29.112 50.271 -37.782 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -28.704 49.414 -37.903 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -29.372 50.286 -36.861 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -26.347 47.833 -37.414 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -27.114 47.301 -37.624 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -25.668 47.523 -38.013 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -28.166 45.754 -37.709 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -27.955 45.047 -38.320 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -28.278 45.316 -36.865 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -30.720 46.777 -38.543 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -29.801 46.655 -38.307 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -31.170 46.027 -38.154 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -29.499 45.089 -45.652 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -29.054 44.297 -45.350 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -29.033 45.805 -45.221 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -31.195 48.088 -44.583 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -30.703 47.867 -45.373 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -30.833 48.929 -44.302 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -30.918 43.084 -42.184 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -31.583 42.838 -41.541 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -31.361 43.706 -42.761 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -28.484 43.105 -38.836 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -28.850 42.340 -38.393 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -27.571 43.134 -38.549 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -26.511 42.456 -37.300 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -25.612 42.182 -37.485 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -26.897 41.713 -36.836 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -20.430 51.002 -26.120 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -20.468 50.356 -25.415 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -20.753 50.536 -26.891 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -27.138 55.067 -25.992 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -27.508 54.265 -26.361 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -26.197 54.898 -25.945 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -22.041 53.435 -25.714 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -21.737 52.749 -26.308 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -21.319 53.553 -25.096 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -13.378 45.036 -24.853 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -13.329 45.646 -24.117 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -12.952 45.497 -25.576 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -18.900 47.829 -25.386 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -18.757 46.882 -25.366 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -19.006 48.036 -26.315 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -23.969 49.877 -28.136 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -23.353 49.351 -27.627 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -24.555 49.237 -28.540 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -12.986 46.514 -22.617 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -13.675 47.172 -22.712 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -12.971 46.317 -21.680 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -24.366 52.524 -23.752 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -25.106 53.122 -23.649 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -23.652 53.078 -24.068 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -16.259 45.352 -27.732 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -16.474 44.586 -27.200 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -15.603 45.824 -27.219 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -25.958 54.488 -22.965 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -25.964 55.367 -23.343 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -26.812 54.405 -22.540 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -29.837 54.159 -32.183 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -30.109 54.388 -33.072 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -29.792 54.997 -31.723 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -15.912 44.067 -24.053 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -16.648 44.678 -24.091 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -15.228 44.482 -24.579 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -22.909 42.154 -26.587 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -23.026 41.205 -26.641 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -23.764 42.486 -26.314 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -17.339 49.375 -22.067 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -17.259 50.138 -21.495 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -17.940 49.654 -22.758 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -25.591 51.831 -29.252 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -25.921 51.461 -30.071 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -25.003 51.161 -28.906 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -24.224 55.259 -26.571 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -24.319 54.681 -27.328 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -23.495 54.888 -26.075 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -24.344 54.999 -20.902 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -24.656 55.781 -20.446 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -24.994 54.846 -21.588 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -26.601 50.901 -31.663 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -26.893 51.669 -32.154 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -27.275 50.241 -31.826 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -30.508 53.264 -22.848 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -31.009 53.236 -23.663 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -30.502 52.358 -22.538 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -30.757 56.044 -25.964 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -29.811 55.900 -25.983 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -30.870 56.828 -25.427 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -15.408 48.203 -19.802 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -15.815 48.684 -20.522 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -15.367 47.298 -20.109 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -28.259 54.587 -21.805 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -28.042 54.226 -20.945 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -29.114 54.213 -22.015 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -25.640 43.057 -25.809 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -26.501 42.970 -26.217 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -25.662 43.913 -25.382 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -25.552 48.244 -29.802 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -26.445 47.903 -29.861 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -25.101 47.867 -30.558 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -20.914 48.835 -19.497 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -21.477 48.131 -19.177 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -20.088 48.715 -19.030 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -24.433 45.717 -36.049 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -24.864 45.272 -35.319 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -25.151 46.089 -36.561 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -19.748 49.744 -23.500 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -19.424 49.113 -24.143 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -20.188 49.209 -22.839 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -22.970 45.671 -28.716 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -23.881 45.728 -28.427 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -22.465 45.611 -27.905 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -24.489 47.300 -32.233 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -23.557 47.429 -32.055 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -24.704 47.970 -32.882 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -18.565 44.906 -25.452 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -19.242 45.037 -24.788 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -19.051 44.751 -26.262 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -25.815 48.495 -34.666 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -26.357 48.115 -35.357 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -24.981 48.689 -35.095 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -27.680 53.052 -19.567 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -26.947 53.306 -19.006 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -28.460 53.256 -19.052 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -21.650 48.459 -26.829 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -21.086 47.912 -27.376 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -21.798 47.937 -26.040 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -23.024 46.847 -24.415 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -23.859 47.301 -24.305 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -22.500 47.123 -23.663 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -23.330 50.333 -19.433 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -23.626 50.167 -20.328 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -22.399 50.113 -19.443 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -29.225 50.735 -34.969 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -28.609 51.362 -34.590 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -30.087 51.051 -34.698 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -23.553 53.536 -29.980 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -23.794 54.461 -29.938 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -24.293 53.077 -29.584 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -29.062 57.374 -23.653 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -28.845 56.442 -23.684 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -28.815 57.648 -22.769 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -27.810 52.648 -33.477 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -28.496 53.000 -32.910 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -27.287 53.411 -33.723 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -21.994 46.690 -31.266 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -21.182 47.194 -31.220 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -22.239 46.545 -30.352 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -21.458 47.676 -22.081 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -21.339 48.250 -21.324 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -20.803 46.988 -21.966 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -21.110 43.771 -30.328 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -21.457 44.389 -29.683 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -20.452 44.272 -30.809 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -25.453 44.834 -33.640 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -25.536 45.723 -33.294 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -24.563 44.569 -33.409 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -15.254 45.583 -21.246 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -16.170 45.846 -21.334 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -14.918 45.580 -22.143 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -28.878 47.926 -35.464 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -28.923 48.865 -35.285 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -29.766 47.690 -35.734 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -29.944 53.071 -18.346 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -29.800 52.169 -18.632 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -30.717 53.357 -18.834 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -23.289 53.041 -18.913 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -23.617 53.312 -19.771 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -23.137 52.100 -19.001 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -24.454 51.387 -33.908 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -24.913 50.903 -33.222 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -24.199 50.719 -34.544 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -20.145 51.751 -18.274 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -19.192 51.835 -18.302 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -20.305 51.040 -17.655 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -24.413 45.005 -22.977 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -23.877 45.456 -23.629 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -25.265 44.897 -23.399 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -22.831 50.444 -22.737 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -22.080 50.288 -23.310 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -23.170 51.296 -23.013 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -18.415 48.259 -17.709 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -18.223 47.328 -17.820 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -17.558 48.684 -17.719 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -17.099 51.048 -19.631 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -17.380 51.757 -20.209 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -16.156 50.975 -19.782 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -29.917 54.957 -35.161 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -29.003 55.036 -34.888 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -29.910 54.270 -35.828 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -15.031 47.592 -25.940 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -14.098 47.804 -25.974 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -15.266 47.694 -25.017 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -15.002 48.329 -23.164 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -15.845 48.597 -22.798 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -14.559 49.151 -23.375 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -12.719 42.309 -17.810 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -12.369 41.655 -18.416 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -12.572 43.146 -18.250 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -13.199 44.418 -19.461 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -14.116 44.689 -19.497 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -13.076 43.883 -20.245 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -14.198 42.508 -21.642 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -15.011 42.833 -22.030 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -13.965 41.748 -22.175 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -20.768 43.957 -27.319 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -21.443 43.328 -27.064 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -20.204 43.473 -27.922 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -15.626 42.064 -27.207 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -15.022 42.612 -27.708 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -16.495 42.384 -27.447 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -23.862 42.518 -29.684 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -22.988 42.906 -29.714 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -23.998 42.303 -28.761 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -18.305 42.548 -28.035 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -18.229 42.643 -28.984 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -18.581 41.640 -27.906 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -22.718 44.598 -32.794 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -22.540 43.952 -32.111 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -22.772 45.432 -32.327 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -19.363 51.747 -10.683 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -19.274 52.691 -10.815 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -20.002 51.472 -11.341 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -28.062 50.617 -5.671 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -28.020 49.991 -4.947 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -27.359 51.240 -5.489 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -29.818 50.889 -9.617 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -29.604 50.119 -9.090 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -29.080 50.978 -10.220 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -22.041 53.435 -6.858 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -21.737 52.749 -7.452 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -21.319 53.553 -6.240 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -13.378 45.036 -5.997 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -13.329 45.646 -5.261 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -12.952 45.497 -6.720 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -29.125 48.327 -8.496 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -28.471 47.777 -8.064 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -29.101 48.053 -9.412 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -12.986 46.514 -3.761 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -13.675 47.172 -3.856 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -12.971 46.317 -2.824 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -19.566 54.348 -11.640 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -19.862 54.026 -12.491 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -19.890 55.248 -11.598 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -24.366 52.524 -4.896 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -25.106 53.122 -4.793 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -23.652 53.078 -5.212 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -25.958 54.488 -4.109 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -25.964 55.367 -4.487 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -26.812 54.405 -3.684 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -29.837 54.159 -13.327 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -30.109 54.388 -14.216 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -29.792 54.997 -12.867 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -15.912 44.067 -5.197 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -16.648 44.678 -5.235 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -15.228 44.482 -5.723 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -20.642 50.991 -13.231 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -21.354 51.526 -13.582 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -19.951 51.047 -13.891 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -20.588 49.449 -16.192 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -19.887 49.471 -15.541 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -20.286 48.821 -16.848 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -17.236 51.201 -12.279 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -17.968 51.429 -11.706 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -16.789 50.487 -11.824 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -17.339 49.375 -3.211 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -17.259 50.138 -2.639 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -17.940 49.654 -3.902 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -25.591 51.831 -10.396 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -25.921 51.461 -11.215 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -25.003 51.161 -10.050 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -24.224 55.259 -7.715 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -24.319 54.681 -8.472 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -23.495 54.888 -7.219 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -25.224 50.600 -6.763 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -24.659 50.721 -7.526 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -24.905 51.237 -6.124 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -24.344 54.999 -2.046 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -24.656 55.781 -1.590 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -24.994 54.846 -2.732 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -18.365 50.363 -14.594 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -17.786 50.513 -13.847 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -17.951 50.834 -15.317 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -27.424 51.197 -2.817 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -27.354 51.848 -2.119 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -28.315 51.300 -3.152 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -14.667 42.113 -14.781 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -15.566 42.252 -14.486 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -14.415 42.944 -15.183 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -15.408 48.203 -0.946 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -15.815 48.684 -1.666 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -15.367 47.298 -1.253 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -28.259 54.587 -2.949 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -28.042 54.226 -2.089 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -29.114 54.213 -3.159 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -17.651 46.535 -2.725 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -18.165 46.409 -1.928 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -17.806 47.447 -2.970 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -20.016 48.660 -12.129 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -20.425 49.475 -12.421 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -19.296 48.520 -12.744 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -27.799 48.343 -3.991 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -27.837 48.743 -3.123 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -28.290 47.526 -3.901 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -31.191 45.459 -10.141 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -30.560 45.430 -9.421 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -30.741 45.034 -10.871 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -19.748 49.744 -4.644 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -19.424 49.113 -5.287 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -20.188 49.209 -3.983 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -27.680 53.052 -0.711 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -26.947 53.306 -0.150 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -28.460 53.256 -0.196 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -22.480 53.060 -13.874 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -23.224 52.553 -14.197 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -22.614 53.109 -12.928 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -18.582 45.874 -15.675 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -19.520 45.986 -15.826 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -18.285 46.731 -15.369 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -20.960 53.244 -2.637 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -21.306 52.863 -1.831 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -21.160 54.178 -2.566 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -17.864 47.741 -14.014 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -16.972 47.604 -13.695 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -17.807 48.532 -14.551 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -27.355 52.355 -8.105 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -26.610 52.353 -8.706 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -27.277 51.531 -7.623 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -20.354 54.519 -14.849 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -20.649 55.345 -14.467 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -21.057 53.899 -14.653 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -30.347 50.816 -2.790 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -30.124 50.398 -1.958 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -30.949 50.203 -3.212 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -17.523 51.545 -6.833 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -18.451 51.313 -6.860 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -17.072 50.768 -7.163 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -24.980 55.873 -10.700 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -24.453 56.646 -10.901 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -25.860 56.098 -11.002 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -23.553 53.536 -11.124 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -23.794 54.461 -11.082 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -24.293 53.077 -10.728 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -19.494 53.784 -5.108 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -19.920 53.557 -4.282 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -18.913 53.046 -5.291 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -28.713 45.569 -3.232 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -29.606 45.908 -3.299 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -28.812 44.714 -2.814 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -23.200 55.825 -17.587 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -22.961 55.077 -18.135 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -23.469 55.437 -16.755 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -24.263 55.395 -15.131 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -24.116 54.875 -14.341 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -24.266 56.302 -14.825 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -15.254 45.583 -2.390 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -16.170 45.846 -2.478 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -14.918 45.580 -3.287 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -16.652 49.334 -8.294 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -17.449 48.919 -8.623 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -16.207 48.643 -7.803 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -27.194 55.262 -15.724 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -26.602 55.961 -15.448 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -26.735 54.829 -16.443 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -29.140 56.648 -11.774 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -29.972 57.121 -11.747 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -28.594 57.158 -12.373 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -25.603 53.415 -17.358 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -25.539 52.621 -16.827 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -24.950 53.296 -18.047 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -23.289 53.041 -0.057 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -23.617 53.312 -0.915 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -23.137 52.100 -0.145 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -17.554 52.957 -2.674 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -16.809 53.545 -2.794 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -18.311 53.539 -2.611 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -29.112 50.271 -0.070 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -28.704 49.414 -0.191 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -29.372 50.286 0.851 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -20.145 51.751 0.582 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -19.192 51.835 0.554 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -20.305 51.040 1.201 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -18.415 48.259 1.147 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -18.223 47.328 1.036 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -17.558 48.684 1.137 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -17.099 51.048 -0.775 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -17.380 51.757 -1.353 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -16.156 50.975 -0.926 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -17.993 44.544 0.955 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -18.090 43.592 0.949 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -18.315 44.813 1.816 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -28.166 45.754 0.003 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -27.955 45.047 -0.608 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -28.278 45.316 0.847 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -29.917 54.957 -16.305 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -29.003 55.036 -16.032 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -29.910 54.270 -16.972 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -14.523 48.048 -16.603 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -14.426 48.715 -17.283 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -14.663 47.232 -17.085 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -15.353 49.428 -10.982 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -15.503 48.483 -11.002 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -15.707 49.709 -10.138 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -30.318 51.506 -6.972 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -30.134 51.424 -7.907 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -29.469 51.382 -6.548 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -15.275 45.456 -17.486 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -14.665 45.084 -16.849 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -16.112 45.034 -17.290 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -15.643 47.011 -12.520 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -15.363 46.104 -12.395 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -14.884 47.445 -12.909 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -15.031 47.592 -7.084 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -14.098 47.804 -7.118 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -15.266 47.694 -6.161 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -15.002 48.329 -4.308 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -15.845 48.597 -3.942 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -14.559 49.151 -4.519 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -30.720 46.777 -0.831 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -29.801 46.655 -0.595 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -31.170 46.027 -0.442 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -12.719 42.309 1.046 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -12.369 41.655 0.440 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -12.572 43.146 0.606 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -15.029 44.274 -12.471 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -14.847 43.825 -11.646 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -15.629 43.689 -12.935 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -31.195 48.088 -6.871 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -30.703 47.867 -7.661 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -30.833 48.929 -6.590 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -13.199 44.418 -0.605 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -14.116 44.689 -0.641 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -13.076 43.883 -1.389 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -13.163 44.341 -15.943 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -12.750 43.620 -16.419 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -12.481 45.011 -15.885 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -30.882 44.346 -12.816 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -31.807 44.555 -12.946 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -30.428 44.830 -13.506 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -30.918 43.084 -4.472 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -31.583 42.838 -3.829 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -31.361 43.706 -5.049 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -14.198 42.508 -2.786 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -15.011 42.833 -3.174 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -13.965 41.748 -3.319 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -13.899 43.203 -10.017 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -13.287 42.689 -10.544 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -13.516 44.081 -9.994 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -28.442 42.591 -10.641 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -29.219 42.357 -11.149 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -27.911 41.794 -10.633 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -16.952 42.574 -13.486 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -17.655 43.188 -13.696 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -17.397 41.736 -13.355 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -28.484 43.105 -1.124 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -28.850 42.340 -0.681 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -27.571 43.134 -0.837 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -18.089 41.788 0.594 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -18.013 41.362 1.448 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -17.196 41.802 0.252 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -20.588 49.449 2.664 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -19.887 49.471 3.315 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -20.286 48.821 2.008 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -16.888 51.396 1.892 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -16.846 51.173 0.962 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -16.039 51.794 2.082 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -21.315 45.272 2.562 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -21.569 45.291 3.485 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -21.572 44.400 2.261 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -24.433 45.717 1.663 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -24.864 45.272 2.393 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -25.151 46.089 1.151 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -24.489 47.300 5.479 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -23.557 47.429 5.657 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -24.704 47.970 4.830 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -25.815 48.495 3.046 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -26.357 48.115 2.355 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -24.981 48.689 2.617 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -26.648 44.595 7.301 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -26.965 43.693 7.266 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -25.867 44.597 6.749 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -18.582 45.874 3.181 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -19.520 45.986 3.030 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -18.285 46.731 3.487 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -29.225 50.735 2.743 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -28.609 51.362 3.122 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -30.087 51.051 3.014 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -19.194 44.962 5.611 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -18.974 45.434 4.808 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -18.636 45.357 6.282 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -21.110 43.771 7.384 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -21.457 44.389 8.029 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -20.452 44.272 6.903 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -25.453 44.834 4.072 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -25.536 45.723 4.418 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -24.563 44.569 4.303 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -28.878 47.926 2.248 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -28.923 48.865 2.427 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -29.766 47.690 1.978 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -25.603 53.415 1.498 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -25.539 52.621 2.029 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -24.950 53.296 0.809 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -24.454 51.387 3.804 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -24.913 50.903 4.490 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -24.199 50.719 3.168 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -23.383 49.630 2.067 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -23.563 49.476 1.139 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -22.432 49.738 2.111 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -15.275 45.456 1.370 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -14.665 45.084 2.007 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -16.112 45.034 1.566 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -15.029 44.274 6.385 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -14.847 43.825 7.210 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -15.629 43.689 5.921 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -13.163 44.341 2.913 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -12.750 43.620 2.437 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -12.481 45.011 2.971 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -15.626 42.064 10.505 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -15.022 42.612 10.004 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -16.495 42.384 10.265 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -13.899 43.203 8.839 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -13.287 42.689 8.312 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -13.516 44.081 8.862 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -29.605 42.389 4.018 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -29.166 43.000 3.427 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -30.239 42.927 4.492 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -23.862 42.518 8.028 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -22.988 42.906 7.998 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -23.998 42.303 8.951 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -16.952 42.574 5.370 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -17.655 43.188 5.160 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -17.397 41.736 5.501 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -27.744 44.305 2.461 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -27.253 43.675 1.933 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -27.121 44.601 3.124 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -22.718 44.598 4.918 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -22.540 43.952 5.601 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -22.772 45.432 5.385 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 2.644 -19.643 12.242 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 1.702 -19.585 12.403 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 2.920 -18.737 12.105 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 3.741 -21.395 15.853 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 3.881 -21.986 15.114 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 3.909 -20.522 15.497 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 5.583 -25.055 13.919 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 4.931 -24.360 14.008 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 6.048 -24.845 13.109 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 0.146 -19.718 16.169 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -0.755 -19.535 15.901 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 0.180 -19.459 17.090 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 2.021 -17.088 16.217 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 1.419 -17.643 15.722 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 2.302 -16.421 15.591 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 3.291 -16.834 12.184 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 3.135 -16.156 11.527 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 4.223 -16.762 12.387 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 0.179 -18.864 18.761 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -0.172 -19.720 19.004 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 0.905 -18.721 19.368 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 1.302 -22.467 16.182 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 2.047 -21.879 16.062 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 0.545 -21.885 16.245 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 1.757 -24.376 18.081 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 1.476 -23.667 17.503 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 2.700 -24.449 17.930 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 6.007 -16.184 12.413 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 5.985 -15.999 13.352 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 6.697 -15.615 12.072 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 5.475 -21.732 12.259 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 6.309 -22.110 11.978 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 5.587 -20.789 12.140 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 3.962 -18.854 14.566 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 3.314 -18.529 15.191 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 3.444 -19.294 13.891 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 4.359 -24.026 17.513 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 4.942 -24.760 17.704 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 4.923 -23.254 17.559 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 5.856 -26.123 18.197 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 4.993 -26.502 18.032 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 6.460 -26.862 18.123 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -0.260 -15.506 16.990 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 0.417 -16.138 16.750 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 0.062 -15.104 17.798 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -2.336 -15.446 13.040 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -2.793 -14.917 12.386 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -2.173 -14.843 13.765 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -0.009 -16.568 13.985 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -0.913 -16.403 13.719 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 0.420 -15.715 13.919 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -0.757 -16.378 28.962 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -0.137 -17.055 28.689 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -0.965 -16.596 29.870 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 0.896 -17.862 27.723 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 1.321 -18.569 27.238 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 1.213 -17.061 27.306 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 2.055 -19.961 26.232 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 1.798 -20.651 25.620 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 2.126 -20.404 27.077 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -1.783 -18.324 26.553 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -1.309 -18.029 27.331 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -2.346 -17.586 26.320 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -2.311 -15.368 24.968 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -2.386 -15.489 24.022 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -2.278 -14.418 25.087 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 0.791 -16.214 21.971 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 1.166 -16.958 21.500 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 0.795 -16.484 22.889 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 0.460 -16.288 24.720 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -0.475 -16.188 24.899 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 0.740 -16.997 25.298 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 1.968 -24.028 20.748 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 2.010 -24.251 19.818 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 2.817 -23.630 20.938 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 4.173 -18.687 23.857 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 3.800 -19.513 24.167 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 4.450 -18.870 22.960 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 1.565 -20.711 21.678 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 1.918 -21.091 22.482 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 0.616 -20.804 21.764 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 2.431 -22.038 23.904 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 2.154 -22.766 24.460 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 3.358 -21.919 24.110 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -2.669 -18.331 23.330 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -3.486 -17.834 23.383 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -2.140 -17.856 22.690 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -2.306 -17.736 20.263 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -2.950 -18.367 20.585 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -1.544 -18.267 20.031 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 2.298 -17.919 20.497 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 2.581 -18.713 20.950 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 3.038 -17.686 19.936 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 4.863 -23.439 20.368 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 4.590 -23.864 19.555 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 4.903 -22.508 20.151 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -4.629 -15.103 21.924 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -3.696 -14.945 22.068 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -4.893 -14.428 21.299 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 5.322 -22.570 24.343 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 6.172 -22.149 24.471 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 5.327 -23.310 24.951 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 5.716 -24.517 26.167 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 4.990 -24.996 26.565 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 6.297 -24.311 26.899 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 5.984 -24.616 22.558 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 5.463 -24.259 21.839 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 5.951 -23.941 23.236 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 2.745 -16.094 26.841 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 3.398 -16.441 26.233 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 3.256 -15.605 27.487 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -1.984 -15.877 22.169 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -1.118 -15.511 21.991 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -2.231 -16.317 21.356 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 4.725 -16.314 24.849 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 4.531 -17.062 24.284 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 4.686 -15.556 24.265 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -0.507 -4.821 8.173 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -0.418 -3.877 8.041 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -1.146 -5.096 7.515 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -1.574 -5.566 11.592 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -1.612 -6.212 12.297 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -1.897 -6.032 10.821 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 2.132 -2.627 9.894 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 1.691 -3.347 10.344 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 2.119 -1.906 10.524 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -0.757 2.478 10.106 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -0.137 1.801 9.833 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -0.965 2.260 11.014 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -3.185 -3.133 11.998 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -2.881 -3.819 11.404 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -2.463 -3.015 12.616 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -0.044 -8.739 12.326 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 0.099 -9.686 12.346 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -0.150 -8.532 11.397 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -0.710 -2.220 7.216 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -1.006 -2.542 6.365 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -1.034 -1.320 7.258 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -5.510 -4.044 13.960 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -6.250 -3.446 14.063 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -4.796 -3.490 13.644 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 2.597 -11.216 9.980 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 2.382 -11.982 10.512 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 3.253 -10.744 10.493 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -7.102 -2.080 14.747 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -7.108 -1.201 14.369 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -7.956 -2.163 15.172 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 0.896 0.994 8.867 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 1.321 0.287 8.382 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 1.213 1.795 8.450 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 2.055 -1.105 7.376 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 1.798 -1.795 6.764 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 2.126 -1.548 8.221 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -5.368 -1.309 11.141 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -5.463 -1.887 10.384 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -4.639 -1.680 11.637 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -8.568 -5.371 16.039 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -8.498 -4.720 16.737 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -9.459 -5.268 15.704 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -1.783 0.532 7.697 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -1.309 0.827 8.475 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -2.346 1.270 7.464 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -8.657 2.277 7.893 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -8.505 1.929 8.772 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -9.508 1.921 7.638 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -9.403 -1.981 15.907 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -9.186 -2.342 16.767 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -10.258 -2.355 15.697 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -2.121 -13.789 15.277 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -1.701 -14.204 16.030 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -3.054 -13.967 15.394 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 1.205 -10.033 16.131 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 0.691 -10.159 16.928 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 1.050 -9.121 15.886 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -2.058 -7.733 18.215 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -2.621 -8.437 18.535 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -1.232 -7.853 18.682 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -0.892 -6.824 14.212 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -0.568 -7.455 13.569 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -1.332 -7.359 14.873 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 0.291 -11.662 12.260 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -0.386 -11.531 12.924 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -0.195 -11.817 11.450 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -8.824 -3.516 18.145 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -8.091 -3.262 18.706 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -9.604 -3.312 18.660 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -4.474 -6.235 18.279 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -4.770 -6.401 17.384 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -3.543 -6.455 18.269 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 1.333 -5.023 12.023 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 0.405 -5.255 11.996 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 1.784 -5.800 11.693 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -4.182 1.117 14.047 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -3.819 1.972 13.814 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -3.650 0.825 14.788 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -10.206 0.806 14.059 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -9.989 -0.126 14.028 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -9.959 1.080 14.943 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -1.122 -11.258 14.514 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -0.424 -11.184 15.164 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -1.503 -12.122 14.669 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -2.602 -8.892 15.631 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -2.483 -8.318 16.388 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -1.947 -9.580 15.746 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 2.204 -7.234 10.562 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 1.407 -7.649 10.233 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 2.649 -7.925 11.053 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 3.291 2.022 12.184 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 3.135 2.700 11.527 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 4.223 2.094 12.387 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -10.995 2.693 18.412 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -10.455 2.476 19.171 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -11.476 1.887 18.222 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -11.088 -3.497 19.366 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -10.944 -4.399 19.080 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -11.861 -3.211 18.878 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -3.975 -6.124 14.975 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -3.224 -6.280 14.402 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -4.314 -5.272 14.699 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -3.487 -9.785 18.730 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -3.723 -10.005 19.632 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -4.270 -9.992 18.221 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -0.771 -10.658 17.806 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -1.719 -10.626 17.938 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -0.459 -11.283 18.460 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -4.176 -13.130 19.892 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -4.307 -13.606 19.071 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -4.775 -12.386 19.836 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -12.412 3.782 7.628 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -13.059 3.320 7.095 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -12.057 3.110 8.211 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 6.007 2.672 12.413 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 5.985 2.857 13.352 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 6.697 3.241 12.072 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 5.570 2.239 15.335 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 5.083 1.504 14.964 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 6.119 1.846 16.013 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 5.475 -2.876 12.259 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 6.309 -3.254 11.978 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 5.587 -1.933 12.140 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 3.825 -8.976 11.772 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 4.758 -8.764 11.738 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 3.590 -8.874 12.695 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 3.854 -8.239 14.548 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 3.011 -7.971 14.914 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 4.297 -7.417 14.337 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 2.745 2.762 7.985 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 3.398 2.415 7.377 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 3.256 3.251 8.631 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -9.870 -0.309 18.528 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -10.691 -0.134 18.068 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -10.122 -0.382 19.449 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -6.916 0.666 14.787 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -7.341 1.475 14.504 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -6.011 0.751 14.485 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -9.514 3.922 14.834 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -10.234 4.362 14.383 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -9.880 3.671 15.683 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -7.047 3.522 13.864 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -7.912 3.594 14.268 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -7.102 4.069 13.080 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -2.336 3.410 13.040 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -2.793 3.939 12.386 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -2.173 4.013 13.765 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -10.099 2.545 11.745 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -10.118 2.120 12.602 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -9.294 2.227 11.336 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -5.421 1.725 11.248 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -5.208 0.837 10.961 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -5.356 1.691 12.203 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 3.230 -14.504 10.505 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 3.834 -13.956 10.004 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 2.361 -14.184 10.265 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 4.957 -13.365 8.839 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 5.569 -13.879 8.312 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 5.340 -12.487 8.862 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 0.551 -14.020 9.677 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 0.627 -13.925 8.728 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 0.275 -14.928 9.806 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 0.767 -14.780 19.450 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 0.843 -15.206 20.304 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 1.660 -14.766 19.108 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -0.507 -4.821 27.029 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -0.418 -3.877 26.897 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -1.146 -5.096 26.371 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 2.132 -2.627 28.750 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 1.691 -3.347 29.200 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 2.119 -1.906 29.380 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -0.757 2.478 28.962 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -0.137 1.801 28.689 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -0.965 2.260 29.870 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 0.833 -10.507 26.855 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 1.479 -10.836 27.480 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 1.343 -9.989 26.232 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -0.710 -2.220 26.072 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -1.006 -2.542 25.221 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -1.034 -1.320 26.114 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 2.597 -11.216 28.836 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 2.382 -11.982 29.368 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 3.253 -10.744 29.349 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 2.644 -0.787 31.098 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 1.702 -0.729 31.259 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 2.920 0.119 30.961 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 0.896 0.994 27.723 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 1.321 0.287 27.238 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 1.213 1.795 27.306 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -1.786 -5.577 24.481 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -2.498 -5.042 24.130 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -1.095 -5.521 23.821 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -1.783 0.532 26.553 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -1.309 0.827 27.331 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -2.346 1.270 26.320 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -2.311 3.488 24.968 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -2.386 3.367 24.022 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -2.278 4.438 25.087 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 0.460 2.568 24.720 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -0.475 2.668 24.899 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 0.740 1.859 25.298 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -2.459 -11.296 21.418 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -2.713 -11.277 22.341 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -2.716 -12.168 21.117 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -1.160 -7.908 25.583 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -1.569 -7.093 25.291 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -0.440 -8.048 24.968 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -0.156 -8.462 28.397 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -0.351 -7.857 27.682 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 0.026 -9.296 27.962 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -5.577 -10.851 20.519 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -6.008 -11.296 21.249 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -6.295 -10.479 20.007 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -4.114 -10.897 27.852 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -5.025 -10.840 28.141 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -3.609 -10.957 28.663 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -5.633 -9.268 24.335 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -4.701 -9.139 24.513 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -5.848 -8.598 23.686 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -3.624 -3.508 23.838 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -4.368 -4.015 23.515 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -3.758 -3.459 24.784 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 1.333 -5.023 30.879 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 0.405 -5.255 30.852 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 1.784 -5.800 30.549 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -6.124 -0.695 27.012 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -5.597 0.078 26.811 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -7.004 -0.470 26.710 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -4.697 -3.032 26.588 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -4.938 -2.107 26.630 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -5.437 -3.491 26.984 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -6.013 1.990 26.133 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -6.963 2.095 26.185 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -5.662 2.810 26.478 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 6.069 2.625 21.879 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 6.812 3.211 21.739 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 5.374 3.193 22.212 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -8.954 -3.920 23.091 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -9.640 -3.568 23.658 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -8.431 -3.157 22.845 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -3.138 -9.878 25.302 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -2.326 -9.374 25.348 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -3.383 -10.023 26.216 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -2.254 -12.797 26.240 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -2.601 -12.179 26.885 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -1.596 -12.296 25.759 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 2.204 -7.234 29.418 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 1.407 -7.649 29.089 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 2.649 -7.925 29.909 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -8.338 -1.306 21.988 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -7.746 -0.607 22.264 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -7.879 -1.739 21.269 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -6.747 -3.153 20.354 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -6.683 -3.947 20.885 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -6.094 -3.272 19.665 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -5.598 -5.181 22.660 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -6.057 -5.665 23.346 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -5.343 -5.849 22.024 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -4.527 -6.938 20.923 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -4.707 -7.092 19.995 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -3.576 -6.830 20.967 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -11.061 -1.611 21.407 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -10.147 -1.532 21.680 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -11.054 -2.298 20.740 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 5.716 -5.661 26.167 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 4.990 -6.140 26.565 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 6.297 -5.455 26.899 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 5.475 -2.876 31.115 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 6.309 -3.254 30.834 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 5.587 -1.933 30.996 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 3.503 -7.140 26.730 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 3.353 -8.085 26.710 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 3.149 -6.859 27.574 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 2.745 2.762 26.841 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 3.398 2.415 26.233 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 3.256 3.251 27.487 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -1.912 -12.611 29.249 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -2.587 -13.240 29.504 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -1.348 -13.095 28.646 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 3.230 -14.504 29.361 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 3.834 -13.956 28.860 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 2.361 -14.184 29.121 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 4.957 -13.365 27.695 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 5.569 -13.879 27.168 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 5.340 -12.487 27.718 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 0.551 -14.020 28.533 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 0.627 -13.925 27.584 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 0.275 -14.928 28.662 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -10.848 1.769 23.772 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -11.533 1.731 23.104 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -10.845 2.682 24.060 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -3.862 -11.970 23.774 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -3.684 -12.616 24.457 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -3.916 -11.136 24.241 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 4.725 2.542 24.849 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 4.531 1.794 24.284 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 4.686 3.300 24.265 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -9.030 2.689 20.797 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -9.298 2.976 21.670 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -8.259 2.143 20.949 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -11.088 15.359 -18.346 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -10.944 14.457 -18.632 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -11.861 15.645 -18.834 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -9.206 12.905 -5.671 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -9.164 12.279 -4.947 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -8.503 13.528 -5.489 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -8.282 17.355 -7.136 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -8.652 16.553 -7.505 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -7.341 17.186 -7.089 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -0.757 21.334 -8.750 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -0.137 20.657 -9.023 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -0.965 21.116 -7.842 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -3.185 15.723 -6.858 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -2.881 15.037 -7.452 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -2.463 15.841 -6.240 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -6.889 8.218 -9.258 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -6.846 9.078 -9.676 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -7.347 7.666 -9.891 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -10.269 10.615 -8.496 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -9.615 10.065 -8.064 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -10.245 10.341 -9.412 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -5.113 12.165 -9.280 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -4.497 11.639 -8.771 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -5.699 11.525 -9.684 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -5.510 14.812 -4.896 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -6.250 15.410 -4.793 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -4.796 15.366 -5.212 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -8.485 9.028 -7.231 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -7.872 9.661 -6.858 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -7.973 8.556 -7.888 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 0.896 19.850 -9.989 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 1.321 19.143 -10.474 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 1.213 20.651 -10.406 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -6.735 14.119 -10.396 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -7.065 13.749 -11.215 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -6.147 13.449 -10.050 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -5.368 17.547 -7.715 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -5.463 16.969 -8.472 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -4.639 17.176 -7.219 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -6.368 12.888 -6.763 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -5.803 13.009 -7.526 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -6.049 13.525 -6.124 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -0.059 18.391 -6.029 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -0.300 19.053 -5.381 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -0.257 17.557 -5.604 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -1.783 19.388 -11.159 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -1.309 19.683 -10.381 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -2.346 20.126 -11.392 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -7.745 13.189 -12.807 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -8.037 13.957 -13.298 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -8.419 12.529 -12.970 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -2.311 22.344 -12.744 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -2.386 22.223 -13.690 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -2.278 23.294 -12.625 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -8.657 21.133 -10.963 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -8.505 20.785 -10.084 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -9.508 20.777 -11.218 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -6.693 10.311 -5.858 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -7.335 10.270 -5.149 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -6.656 11.237 -6.096 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -6.696 10.532 -10.946 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -7.589 10.191 -11.005 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -6.245 10.155 -11.702 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -8.943 10.631 -3.991 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -8.981 11.031 -3.123 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -9.434 9.814 -3.901 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -12.335 7.747 -10.141 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -11.704 7.718 -9.421 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -11.885 7.322 -10.871 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -11.060 8.493 -14.717 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -10.586 9.084 -15.302 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -11.778 9.024 -14.370 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -9.286 9.588 -11.033 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -10.175 9.688 -11.373 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -8.990 8.746 -11.379 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -6.959 10.783 -15.810 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -7.501 10.403 -16.501 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -6.125 10.977 -16.239 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 3.578 22.866 -0.319 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 3.778 23.290 -1.154 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 4.234 23.209 0.288 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -2.104 15.532 -2.637 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -2.450 15.151 -1.831 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -2.304 16.466 -2.566 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -8.499 14.643 -8.105 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -7.754 14.641 -8.706 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -8.421 13.819 -7.623 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -4.474 12.621 -0.577 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -4.770 12.455 -1.472 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -3.543 12.401 -0.587 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 0.146 17.994 -2.687 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -0.755 18.177 -2.955 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 0.180 18.253 -1.766 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -6.124 18.161 -10.700 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -5.597 18.934 -10.901 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -7.004 18.386 -11.002 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -10.369 13.023 -16.113 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -9.753 13.650 -15.734 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -11.231 13.339 -15.842 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -4.697 15.824 -11.124 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -4.938 16.749 -11.082 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -5.437 15.365 -10.728 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -6.013 20.846 -11.579 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -6.963 20.951 -11.527 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -5.662 21.666 -11.234 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -0.638 16.072 -5.108 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -1.064 15.845 -4.282 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -0.057 15.334 -5.291 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 2.021 20.624 -2.639 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 1.419 20.069 -3.134 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 2.302 21.291 -3.265 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -9.857 7.857 -3.232 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -10.750 8.196 -3.299 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -9.956 7.002 -2.814 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -8.954 14.936 -14.621 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -9.640 15.288 -14.054 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -8.431 15.699 -14.867 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -8.338 17.550 -15.724 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -7.746 18.249 -15.448 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -7.879 17.117 -16.443 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -10.022 10.214 -16.608 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -10.067 11.153 -16.429 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -10.910 9.978 -16.878 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 3.291 20.878 -6.672 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 3.135 21.556 -7.329 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 4.223 20.950 -6.469 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -10.284 18.936 -11.774 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -11.116 19.409 -11.747 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -9.738 19.446 -12.373 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 0.179 18.848 -0.095 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -0.172 17.992 0.148 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 0.905 18.991 0.512 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -4.433 15.329 -0.057 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -4.761 15.600 -0.915 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -4.281 14.388 -0.145 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -6.309 11.568 -2.696 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -6.927 12.243 -2.415 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -5.965 11.889 -3.529 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -1.289 14.039 0.582 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -0.336 14.123 0.554 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -1.449 13.328 1.201 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -5.969 8.923 -1.613 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -5.819 8.194 -2.216 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -5.967 9.700 -2.172 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -3.975 12.732 -3.881 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -3.224 12.576 -4.454 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -4.314 13.584 -4.157 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -7.491 10.121 0.298 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -8.258 9.589 0.088 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -6.812 9.811 -0.301 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -9.310 8.042 0.003 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -9.099 7.335 -0.608 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -9.422 7.604 0.847 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -11.061 17.245 -16.305 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -10.147 17.324 -16.032 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -11.054 16.558 -16.972 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -11.864 9.065 -0.831 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -10.945 8.943 -0.595 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -12.314 8.315 -0.442 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -10.643 7.377 -7.940 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -10.198 6.585 -7.638 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -10.177 8.093 -7.509 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -12.339 10.376 -6.871 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -11.847 10.155 -7.661 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -11.977 11.217 -6.590 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -12.026 6.634 -12.816 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -12.951 6.843 -12.946 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -11.572 7.118 -13.506 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -0.009 21.144 -4.871 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -0.913 21.309 -5.137 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 0.420 21.997 -4.937 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 2.596 22.714 -4.576 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 2.414 23.630 -4.787 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 2.772 22.304 -5.423 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -10.848 20.625 -13.940 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -11.533 20.587 -14.608 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -10.845 21.538 -13.652 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 3.943 20.149 -0.713 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 3.161 19.963 -1.233 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 3.871 21.078 -0.496 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -1.574 13.290 11.592 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -1.612 12.644 12.297 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -1.897 12.824 10.821 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -8.282 17.355 11.720 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -8.652 16.553 11.351 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -7.341 17.186 11.767 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -11.672 11.015 7.113 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -12.120 11.861 7.095 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -12.233 10.435 6.598 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -10.962 13.177 9.239 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -10.748 12.407 9.766 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -10.224 13.266 8.636 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -3.185 15.723 11.998 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -2.881 15.037 11.404 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -2.463 15.841 12.616 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 5.478 7.324 12.859 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 5.527 7.934 13.595 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 5.904 7.785 12.136 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -0.044 10.117 12.326 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 0.099 9.170 12.346 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -0.150 10.324 11.397 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 5.870 8.802 15.095 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 5.181 9.460 15.000 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 5.885 8.605 16.032 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -0.710 16.636 7.216 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -1.006 16.314 6.365 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -1.034 17.536 7.258 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -5.510 14.812 13.960 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -6.250 15.410 14.063 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -4.796 15.366 13.644 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 2.597 7.640 9.980 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 2.382 6.874 10.512 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 3.253 8.112 10.493 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -7.102 16.776 14.747 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -7.108 17.655 14.369 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -7.956 16.693 15.172 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -10.981 16.447 5.529 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -11.253 16.676 4.640 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -10.936 17.285 5.989 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 2.944 6.355 13.659 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 2.208 6.966 13.621 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 3.628 6.770 13.133 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -4.053 4.442 11.125 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -4.170 3.493 11.071 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -4.908 4.774 11.398 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -1.786 13.279 5.625 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -2.498 13.814 5.274 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -1.095 13.335 4.965 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -1.732 11.737 2.664 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -1.031 11.759 3.315 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -1.430 11.109 2.008 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 1.517 11.663 15.645 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 1.597 12.426 16.217 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 0.916 11.942 14.954 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -6.735 14.119 8.460 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -7.065 13.749 7.641 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -6.147 13.449 8.806 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -5.368 17.547 11.141 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -5.463 16.969 10.384 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -4.639 17.176 11.637 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -1.783 19.388 7.697 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -1.309 19.683 8.475 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -2.346 20.126 7.464 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -7.745 13.189 6.049 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -8.037 13.957 5.558 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -8.419 12.529 5.886 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -11.901 18.332 11.748 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -10.955 18.188 11.729 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -12.014 19.116 12.285 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -2.725 18.572 16.306 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -2.638 19.398 16.781 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -3.589 18.242 16.555 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -2.311 22.344 6.112 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -2.386 22.223 5.166 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -2.278 23.294 6.231 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 0.791 21.498 3.115 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 1.166 20.754 2.644 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 0.795 21.228 4.033 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 0.460 21.424 5.864 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -0.475 21.524 6.043 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 0.740 20.715 6.442 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 3.448 10.491 17.910 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 3.041 10.972 17.190 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 3.489 9.586 17.603 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -6.784 5.345 11.903 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -7.645 5.258 11.495 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -6.806 6.201 12.330 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -1.160 10.948 6.727 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -1.569 11.763 6.435 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -0.440 10.808 6.112 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -0.156 10.394 9.541 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -0.351 10.999 8.826 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 0.026 9.560 9.106 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -12.335 7.747 8.715 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -11.704 7.718 9.435 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -11.885 7.322 7.985 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -11.060 8.493 4.139 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -10.586 9.084 3.554 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -11.778 9.024 4.486 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -0.892 12.032 14.212 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -0.568 11.401 13.569 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -1.332 11.497 14.873 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -5.633 9.588 5.479 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -4.701 9.717 5.657 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -5.848 10.258 4.830 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 0.291 7.194 12.260 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -0.386 7.325 12.924 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -0.195 7.039 11.450 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -6.959 10.783 3.046 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -7.501 10.403 2.355 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -6.125 10.977 2.617 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -3.624 15.348 4.982 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -4.368 14.841 4.659 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -3.758 15.397 5.928 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -2.104 15.532 16.219 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -2.450 15.151 17.025 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -2.304 16.466 16.290 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -8.499 14.643 10.751 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -7.754 14.641 10.150 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -8.421 13.819 11.233 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -1.498 16.807 4.007 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -1.793 17.633 4.389 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -2.201 16.187 4.203 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 0.146 17.994 16.169 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -0.755 18.177 15.901 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 0.180 18.253 17.090 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 1.333 13.833 12.023 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 0.405 13.601 11.996 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 1.784 13.056 11.693 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -6.124 18.161 8.156 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -5.597 18.934 7.955 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -7.004 18.386 7.854 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -10.369 13.023 2.743 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -9.753 13.650 3.122 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -11.231 13.339 3.014 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -4.697 15.824 7.732 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -4.938 16.749 7.774 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -5.437 15.365 8.128 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -4.182 19.973 14.047 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -3.819 20.828 13.814 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -3.650 19.681 14.788 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -6.013 20.846 7.277 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -6.963 20.951 7.329 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -5.662 21.666 7.622 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -0.638 16.072 13.748 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -1.064 15.845 14.574 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -0.057 15.334 13.565 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 1.565 17.001 2.822 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 1.918 16.621 3.626 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 0.616 16.908 2.908 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -2.669 19.381 4.474 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -3.486 19.878 4.527 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -2.140 19.856 3.834 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -3.138 8.978 6.446 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -2.326 9.482 6.492 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -3.383 8.833 7.360 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -2.254 6.059 7.384 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -2.601 6.677 8.029 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -1.596 6.560 6.903 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -6.597 7.122 4.072 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -6.680 8.011 4.418 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -5.707 6.857 4.303 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 2.204 11.622 10.562 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 1.407 11.207 10.233 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 2.649 10.931 11.053 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -10.022 10.214 2.248 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -10.067 11.153 2.427 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -10.910 9.978 1.978 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -9.214 4.996 10.921 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -9.443 5.055 9.994 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -9.657 4.204 11.228 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -6.398 20.468 20.032 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -5.630 20.009 20.373 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -6.419 20.242 19.102 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 0.179 18.848 18.761 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -0.172 17.992 19.004 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 0.905 18.991 19.368 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 2.298 19.793 1.641 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 2.581 18.999 2.094 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 3.038 20.026 1.080 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -1.395 16.750 1.234 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -1.663 16.930 2.135 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -1.601 15.824 1.103 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 1.302 15.245 16.182 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 2.047 15.833 16.062 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 0.545 15.827 16.245 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -5.598 13.675 3.804 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -6.057 13.191 4.490 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -5.343 13.007 3.168 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -4.527 11.918 2.067 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -4.707 11.764 1.139 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -3.576 12.026 2.111 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 0.441 10.547 20.003 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 0.633 9.616 19.892 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 1.298 10.972 19.993 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 1.757 13.336 18.081 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 1.476 14.045 17.503 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 2.700 13.263 17.930 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -9.310 8.042 18.859 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -9.099 7.335 18.248 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -9.422 7.604 19.703 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 4.359 13.686 17.513 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 4.942 12.952 17.704 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 4.923 14.458 17.559 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 5.856 11.589 18.197 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 4.993 11.210 18.032 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 6.460 10.850 18.123 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 3.825 9.880 11.772 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 4.758 10.092 11.738 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 3.590 9.982 12.695 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 3.854 10.617 14.548 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 3.011 10.885 14.914 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 4.297 11.439 14.337 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 6.137 4.597 19.902 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 6.487 3.943 19.296 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 6.284 5.434 19.462 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 5.657 6.706 18.251 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 4.740 6.977 18.215 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 5.780 6.171 17.467 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -12.026 6.634 6.040 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -12.951 6.843 5.910 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -11.572 7.118 5.350 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -12.062 5.372 14.384 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -12.727 5.126 15.027 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -12.505 5.994 13.807 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -2.605 20.921 17.746 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -2.420 20.587 18.624 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -1.758 21.230 17.424 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 4.658 4.796 16.070 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 3.845 5.121 15.682 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 4.891 4.036 15.537 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -10.099 21.401 11.745 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -10.118 20.976 12.602 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -9.294 21.083 11.336 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -7.958 20.111 10.400 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -8.177 19.195 10.569 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -7.134 20.251 10.866 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -5.421 20.581 11.248 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -5.208 19.693 10.961 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -5.356 20.547 12.203 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -1.912 6.245 10.393 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -2.587 5.616 10.648 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -1.348 5.761 9.790 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 3.230 4.352 10.505 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 3.834 4.900 10.004 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 2.361 4.672 10.265 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -9.586 4.879 8.215 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -10.363 4.645 7.707 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -9.055 4.082 8.223 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -5.006 4.806 8.028 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -4.132 5.194 7.998 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -5.142 4.591 8.951 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 0.551 4.836 9.677 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 0.627 4.931 8.728 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 0.275 3.928 9.806 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -3.862 6.886 4.918 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -3.684 6.240 5.601 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -3.916 7.720 5.385 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -9.628 5.393 17.732 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -9.994 4.628 18.175 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -8.715 5.422 18.019 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -0.507 14.035 27.029 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -0.418 14.979 26.897 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -1.146 13.760 26.371 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -11.672 11.015 25.969 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -12.120 11.861 25.951 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -12.233 10.435 25.454 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -10.962 13.177 28.095 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -10.748 12.407 28.622 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -10.224 13.266 27.492 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -6.889 8.218 28.454 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -6.846 9.078 28.036 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -7.347 7.666 27.821 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 0.833 8.349 26.855 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 1.479 8.020 27.480 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 1.343 8.867 26.232 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -5.113 12.165 28.432 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -4.497 11.639 28.941 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -5.699 11.525 28.028 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -0.710 16.636 26.072 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -1.006 16.314 25.221 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -1.034 17.536 26.114 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 1.620 13.489 25.433 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 0.888 13.717 26.006 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 2.067 12.775 25.888 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -6.735 14.119 27.316 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -7.065 13.749 26.497 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -6.147 13.449 27.662 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 0.491 12.651 23.118 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 1.070 12.801 23.865 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 0.905 13.122 22.395 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -1.783 19.388 26.553 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -1.309 19.683 27.331 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -2.346 20.126 26.320 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 4.189 4.401 22.931 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 3.290 4.540 23.226 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 4.441 5.232 22.529 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -7.745 13.189 24.905 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -8.037 13.957 24.414 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -8.419 12.529 24.742 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -2.311 22.344 24.968 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -2.386 22.223 24.022 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -2.278 23.294 25.087 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -8.657 21.133 26.749 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -8.505 20.785 27.628 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -9.508 20.777 26.494 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 0.791 21.498 21.971 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 1.166 20.754 21.500 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 0.795 21.228 22.889 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 1.968 13.684 20.748 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 2.010 13.461 19.818 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 2.817 14.082 20.938 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -6.696 10.532 26.766 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -7.589 10.191 26.707 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -6.245 10.155 26.010 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -1.160 10.948 25.583 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -1.569 11.763 25.291 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -0.440 10.808 24.968 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -0.156 10.394 28.397 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -0.351 10.999 27.682 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 0.026 9.560 27.962 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -11.060 8.493 22.995 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -10.586 9.084 22.410 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -11.778 9.024 23.342 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -4.114 7.959 27.852 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -5.025 8.016 28.141 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -3.609 7.899 28.663 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -9.286 9.588 26.679 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -10.175 9.688 26.339 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -8.990 8.746 26.333 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -2.794 10.747 29.739 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -2.230 10.200 29.192 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -2.942 10.225 30.528 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -7.792 6.883 26.157 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -8.109 5.981 26.122 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -7.011 6.885 25.605 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 0.274 8.162 22.037 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -0.664 8.274 21.886 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 0.571 9.019 22.343 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 0.992 10.029 23.698 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 1.884 9.892 24.017 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 1.049 10.820 23.161 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -1.498 16.807 22.863 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -1.793 17.633 23.245 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -2.201 16.187 23.059 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -6.124 18.161 27.012 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -5.597 18.934 26.811 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -7.004 18.386 26.710 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -4.697 15.824 26.588 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -4.938 16.749 26.630 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -5.437 15.365 26.984 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -6.013 20.846 26.133 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -6.963 20.951 26.185 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -5.662 21.666 26.478 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 1.565 17.001 21.678 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 1.918 16.621 22.482 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 0.616 16.908 21.764 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 2.431 15.674 23.904 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 2.154 14.946 24.460 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 3.358 15.793 24.110 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -0.338 7.250 24.467 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -0.118 7.722 23.664 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 0.220 7.645 25.138 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -2.669 19.381 23.330 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -3.486 19.878 23.383 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -2.140 19.856 22.690 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -2.254 6.059 26.240 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -2.601 6.677 26.885 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -1.596 6.560 25.759 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -5.331 20.424 23.312 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -5.170 21.224 22.811 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -5.528 20.731 24.197 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -10.022 10.214 21.104 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -10.067 11.153 21.283 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -10.910 9.978 20.834 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -10.284 18.936 25.938 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -11.116 19.409 25.965 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -9.738 19.446 25.339 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -2.306 19.976 20.263 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -2.950 19.345 20.585 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -1.544 19.445 20.031 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 2.298 19.793 20.497 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 2.581 18.999 20.950 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 3.038 20.026 19.936 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -4.629 22.609 21.924 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -3.696 22.767 22.068 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -4.893 23.284 21.299 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -12.412 22.638 26.484 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -13.059 22.176 25.951 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -12.057 21.966 27.067 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 4.333 10.336 21.109 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 4.430 11.003 20.429 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 4.193 9.520 20.627 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 3.581 7.744 20.226 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 4.191 7.372 20.863 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 2.744 7.322 20.422 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 3.213 9.299 25.192 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 3.493 8.392 25.317 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 3.972 9.733 24.803 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 3.827 6.562 25.241 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 4.009 6.113 26.066 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 3.227 5.977 24.777 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 5.693 6.629 21.769 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 6.106 5.908 21.293 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 6.375 7.299 21.827 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -10.749 4.677 22.874 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -10.310 5.288 22.283 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -11.383 5.215 23.348 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -5.006 4.806 26.884 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -4.132 5.194 26.854 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -5.142 4.591 27.807 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 1.904 4.862 24.226 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 1.201 5.476 24.016 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 1.459 4.024 24.357 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -8.888 6.593 21.317 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -8.397 5.963 20.789 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -8.265 6.889 21.980 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -1.984 21.835 22.169 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -1.118 22.201 21.991 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -2.231 21.395 21.356 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 2.132 35.085 -8.962 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 1.691 34.365 -8.512 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 2.119 35.806 -8.332 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -0.757 40.190 -8.750 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -0.137 39.513 -9.023 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -0.965 39.972 -7.842 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 5.478 26.180 -5.997 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 5.527 26.790 -5.261 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 5.904 26.641 -6.720 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 0.833 27.205 -10.857 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 1.479 26.876 -10.232 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 1.343 27.723 -11.480 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 5.870 27.658 -3.761 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 5.181 28.316 -3.856 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 5.885 27.461 -2.824 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 2.597 26.496 -8.876 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 2.382 25.730 -8.344 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 3.253 26.968 -8.363 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 2.644 36.925 -6.614 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 1.702 36.983 -6.453 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 2.920 37.831 -6.751 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 2.944 25.211 -5.197 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 2.208 25.822 -5.235 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 3.628 25.626 -5.723 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 0.896 38.706 -9.989 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 1.321 37.999 -10.474 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 1.213 39.507 -10.406 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 2.055 36.607 -11.480 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 1.798 35.917 -12.092 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 2.126 36.164 -10.635 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 3.741 35.173 -3.003 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 3.881 34.582 -3.742 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 3.909 36.046 -3.359 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -1.786 32.135 -13.231 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -2.498 32.670 -13.582 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -1.095 32.191 -13.891 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 5.583 31.513 -4.937 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 4.931 32.208 -4.848 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 6.048 31.723 -5.747 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 1.620 32.345 -12.279 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 0.888 32.573 -11.706 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 2.067 31.631 -11.824 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 1.517 30.519 -3.211 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 1.597 31.282 -2.639 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 0.916 30.798 -3.902 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -0.059 37.247 -6.029 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -0.300 37.909 -5.381 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -0.257 36.413 -5.604 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 0.491 31.507 -14.594 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 1.070 31.657 -13.847 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 0.905 31.978 -15.317 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -1.783 38.244 -11.159 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -1.309 38.539 -10.381 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -2.346 38.982 -11.392 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -2.311 41.200 -12.744 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -2.386 41.079 -13.690 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -2.278 42.150 -12.625 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -8.657 39.989 -10.963 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -8.505 39.641 -10.084 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -9.508 39.633 -11.218 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 0.460 40.280 -12.992 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -0.475 40.380 -12.813 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 0.740 39.571 -12.414 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -1.160 29.804 -12.129 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -1.569 30.619 -12.421 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -0.440 29.664 -12.744 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -11.060 27.349 -14.717 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -10.586 27.940 -15.302 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -11.778 27.880 -14.370 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -5.633 28.444 -13.377 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -4.701 28.573 -13.199 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -5.848 29.114 -14.026 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -6.959 29.639 -15.810 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -7.501 29.259 -16.501 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -6.125 29.833 -16.239 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -7.792 25.739 -11.555 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -8.109 24.837 -11.590 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -7.011 25.741 -12.107 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -3.624 34.204 -13.874 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -4.368 33.697 -14.197 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -3.758 34.253 -12.928 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 3.526 33.337 -5.088 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 4.168 33.794 -5.631 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 2.696 33.450 -5.550 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 0.992 28.885 -14.014 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 1.884 28.748 -13.695 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 1.049 29.676 -14.551 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -1.498 35.663 -14.849 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -1.793 36.489 -14.467 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -2.201 35.043 -14.653 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 0.146 36.850 -2.687 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -0.755 37.033 -2.955 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 0.180 37.109 -1.766 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 1.333 32.689 -6.833 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 0.405 32.457 -6.860 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 1.784 31.912 -7.163 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -10.369 31.879 -16.113 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -9.753 32.506 -15.734 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -11.231 32.195 -15.842 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -6.013 39.702 -11.579 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -6.963 39.807 -11.527 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -5.662 40.522 -11.234 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 2.021 39.480 -2.639 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 1.419 38.925 -3.134 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 2.302 40.147 -3.265 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 2.431 34.530 -13.808 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 2.154 33.802 -13.252 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 3.358 34.649 -13.602 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -5.407 36.539 -15.131 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -5.260 36.019 -14.341 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -5.410 37.446 -14.825 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -8.954 33.792 -14.621 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -9.640 34.144 -14.054 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -8.431 34.555 -14.867 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -0.338 26.106 -13.245 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -0.118 26.578 -14.048 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 0.220 26.501 -12.574 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -2.669 38.237 -14.382 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -3.486 38.734 -14.329 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -2.140 38.712 -15.022 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -3.138 27.834 -12.410 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -2.326 28.338 -12.364 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -3.383 27.689 -11.496 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -2.254 24.915 -11.472 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -2.601 25.533 -10.827 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -1.596 25.416 -11.953 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -5.331 39.280 -14.400 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -5.170 40.080 -14.901 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -5.528 39.587 -13.515 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -6.597 25.978 -14.784 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -6.680 26.867 -14.438 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -5.707 25.713 -14.553 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 3.602 26.727 -2.390 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 2.686 26.990 -2.478 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 3.938 26.724 -3.287 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 2.204 30.478 -8.294 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 1.407 30.063 -8.623 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 2.649 29.787 -7.803 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -8.338 36.406 -15.724 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -7.746 37.105 -15.448 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -7.879 35.973 -16.443 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -10.022 29.070 -16.608 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -10.067 30.009 -16.429 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -10.910 28.834 -16.878 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -6.398 39.324 1.176 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -5.630 38.865 1.517 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -6.419 39.098 0.246 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 0.179 37.704 -0.095 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -0.172 36.848 0.148 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 0.905 37.847 0.512 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 1.302 34.101 -2.674 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 2.047 34.689 -2.794 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 0.545 34.683 -2.611 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -5.598 32.531 -15.052 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -6.057 32.047 -14.366 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -5.343 31.863 -15.688 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -4.527 30.774 -16.789 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -4.707 30.620 -17.717 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -3.576 30.882 -16.745 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -1.289 32.895 0.582 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -0.336 32.979 0.554 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -1.449 32.184 1.201 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 1.757 32.192 -0.775 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 1.476 32.901 -1.353 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 2.700 32.119 -0.926 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -11.061 36.101 -16.305 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -10.147 36.180 -16.032 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -11.054 35.414 -16.972 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -12.412 41.494 -11.228 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -13.059 41.032 -11.761 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -12.057 40.822 -10.645 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -11.542 39.575 -9.423 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -11.876 38.694 -9.251 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -11.320 39.920 -8.559 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 4.021 35.741 1.117 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 3.155 35.636 1.511 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 4.397 36.500 1.564 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 3.503 30.572 -10.982 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 3.353 29.627 -11.002 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 3.149 30.853 -10.138 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 4.359 32.542 -1.343 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 4.942 31.808 -1.152 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 4.923 33.314 -1.297 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 5.856 30.445 -0.659 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 4.993 30.066 -0.824 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 6.460 29.706 -0.733 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 3.213 28.155 -12.520 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 3.493 27.248 -12.395 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 3.972 28.589 -12.909 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 3.825 28.736 -7.084 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 4.758 28.948 -7.118 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 3.590 28.838 -6.161 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 3.854 29.473 -4.308 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 3.011 29.741 -3.942 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 4.297 30.295 -4.519 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 6.137 23.453 1.046 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 6.487 22.799 0.440 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 6.284 24.290 0.606 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 3.827 25.418 -12.471 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 4.009 24.969 -11.646 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 3.227 24.833 -12.935 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 5.657 25.562 -0.605 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 4.740 25.833 -0.641 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 5.780 25.027 -1.389 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -2.605 39.777 -1.110 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -2.420 39.443 -0.232 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -1.758 40.086 -1.432 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -0.260 41.062 -1.866 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 0.417 40.430 -2.106 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 0.062 41.464 -1.058 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 4.658 23.652 -2.786 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 3.845 23.977 -3.174 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 4.891 22.892 -3.319 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -9.514 41.634 -4.022 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -10.234 42.074 -4.473 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -9.880 41.383 -3.173 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -2.336 41.122 -5.816 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -2.793 41.651 -6.470 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -2.173 41.725 -5.091 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -0.009 40.000 -4.871 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -0.913 40.165 -5.137 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 0.420 40.853 -4.937 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -10.099 40.257 -7.111 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -10.118 39.832 -6.254 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -9.294 39.939 -7.520 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -5.421 39.437 -7.608 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -5.208 38.549 -7.895 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -5.356 39.403 -6.653 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 3.230 23.208 -8.351 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 3.834 23.756 -8.852 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 2.361 23.528 -8.591 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 4.957 24.347 -10.017 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 5.569 23.833 -10.544 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 5.340 25.225 -9.994 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -9.586 23.735 -10.641 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -10.363 23.501 -11.149 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -9.055 22.938 -10.633 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -10.749 23.533 -14.838 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -10.310 24.144 -15.429 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -11.383 24.071 -14.364 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -5.006 23.662 -10.828 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -4.132 24.050 -10.858 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -5.142 23.447 -9.905 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 0.551 23.692 -9.179 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 0.627 23.787 -10.128 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 0.275 22.784 -9.050 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -10.848 39.481 -13.940 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -11.533 39.443 -14.608 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -10.845 40.394 -13.652 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -3.862 25.742 -13.938 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -3.684 25.096 -13.255 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -3.916 26.576 -13.471 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -0.507 32.891 8.173 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -0.418 33.835 8.041 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -1.146 32.616 7.515 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -9.206 31.761 13.185 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -9.164 31.135 13.909 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -8.503 32.384 13.367 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -8.282 36.211 11.720 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -8.652 35.409 11.351 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -7.341 36.042 11.767 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -3.185 34.579 11.998 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -2.881 33.893 11.404 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -2.463 34.697 12.616 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 0.833 27.205 7.999 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 1.479 26.876 8.624 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 1.343 27.723 7.376 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -5.113 31.021 9.576 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -4.497 30.495 10.085 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -5.699 30.381 9.172 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -8.079 25.992 13.672 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -8.298 26.522 12.906 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -8.747 26.219 14.320 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -8.485 27.884 11.625 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -7.872 28.517 11.998 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -7.973 27.412 10.968 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -4.053 23.298 11.125 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -4.170 22.349 11.071 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -4.908 23.630 11.398 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -1.786 32.135 5.625 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -2.498 32.670 5.274 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -1.095 32.191 4.965 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 1.620 32.345 6.577 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 0.888 32.573 7.150 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 2.067 31.631 7.032 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -5.368 36.403 11.141 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -5.463 35.825 10.384 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -4.639 36.032 11.637 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -6.368 31.744 12.093 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -5.803 31.865 11.330 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -6.049 32.381 12.732 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 0.491 31.507 4.262 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 1.070 31.657 5.009 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 0.905 31.978 3.539 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 4.189 23.257 4.075 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 3.290 23.396 4.370 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 4.441 24.088 3.673 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -11.901 37.188 11.748 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -10.955 37.044 11.729 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -12.014 37.972 12.285 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -8.657 39.989 7.893 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -8.505 39.641 8.772 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -9.508 39.633 7.638 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -6.784 24.201 11.903 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -7.645 24.114 11.495 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -6.806 25.057 12.330 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 1.968 32.540 1.892 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 2.010 32.317 0.962 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 2.817 32.938 2.082 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -6.693 29.167 12.998 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -7.335 29.126 13.707 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -6.656 30.093 12.760 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -1.160 29.804 6.727 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -1.569 30.619 6.435 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -0.440 29.664 6.112 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -0.156 29.250 9.541 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -0.351 29.855 8.826 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 0.026 28.416 9.106 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -8.943 29.487 14.865 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -8.981 29.887 15.733 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -9.434 28.670 14.955 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -2.794 29.603 10.883 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -2.230 29.056 10.336 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -2.942 29.081 11.672 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -4.168 27.991 13.297 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -5.003 28.445 13.407 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -3.644 28.267 14.049 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -3.624 34.204 4.982 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -4.368 33.697 4.659 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -3.758 34.253 5.928 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 0.992 28.885 4.842 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 1.884 28.748 5.161 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 1.049 29.676 4.305 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -8.499 33.499 10.751 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -7.754 33.497 10.150 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -8.421 32.675 11.233 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -1.498 35.663 4.007 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -1.793 36.489 4.389 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -2.201 35.043 4.203 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -11.491 31.960 16.066 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -11.268 31.542 16.898 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -12.093 31.347 15.644 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 5.877 29.095 4.536 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 5.323 28.699 3.864 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 5.978 30.005 4.259 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -6.124 37.017 8.156 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -5.597 37.790 7.955 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -7.004 37.242 7.854 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -4.697 34.680 7.732 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -4.938 35.605 7.774 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -5.437 34.221 8.128 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -6.013 39.702 7.277 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -6.963 39.807 7.329 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -5.662 40.522 7.622 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 1.565 35.857 2.822 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 1.918 35.477 3.626 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 0.616 35.764 2.908 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -9.857 26.713 15.624 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -10.750 27.052 15.557 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -9.956 25.858 16.042 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 2.431 34.530 5.048 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 2.154 33.802 5.604 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 3.358 34.649 5.254 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -0.338 26.106 5.611 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -0.118 26.578 4.808 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 0.220 26.501 6.282 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -2.669 38.237 4.474 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -3.486 38.734 4.527 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -2.140 38.712 3.834 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -2.254 24.915 7.384 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -2.601 25.533 8.029 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -1.596 25.416 6.903 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -5.331 39.280 4.456 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -5.170 40.080 3.955 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -5.528 39.587 5.341 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -10.284 37.792 7.082 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -11.116 38.265 7.109 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -9.738 38.302 6.483 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -2.306 38.832 1.407 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -2.950 38.201 1.729 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -1.544 38.301 1.175 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -1.395 35.606 1.234 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -1.663 35.786 2.135 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -1.601 34.680 1.103 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -10.256 31.415 18.786 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -9.848 30.558 18.665 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -10.516 31.430 19.707 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -4.527 30.774 2.067 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -4.707 30.620 1.139 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -3.576 30.882 2.111 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 4.863 33.129 1.512 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 4.590 32.704 0.699 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 4.903 34.060 1.295 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -5.969 27.779 17.243 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -5.819 27.050 16.640 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -5.967 28.556 16.684 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -5.557 26.149 14.735 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -5.021 26.600 14.083 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -6.409 26.041 14.313 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -7.491 28.977 19.154 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -8.258 28.445 18.944 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -6.812 28.667 18.555 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -4.751 23.605 15.167 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -4.849 24.552 15.061 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -5.494 23.233 14.691 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -9.310 26.898 18.859 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -9.099 26.191 18.248 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -9.422 26.460 19.703 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -4.529 22.899 17.838 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -3.817 22.259 17.824 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -4.630 23.166 16.924 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -4.176 24.582 19.892 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -4.307 24.106 19.071 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -4.775 25.326 19.836 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -4.629 41.465 3.068 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -3.696 41.623 3.212 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -4.893 42.140 2.443 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -12.412 41.494 7.628 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -13.059 41.032 7.095 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -12.057 40.822 8.211 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -11.542 39.575 9.433 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -11.876 38.694 9.605 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -11.320 39.920 10.297 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 5.984 31.952 3.702 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 5.463 32.309 2.983 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 5.951 32.627 4.380 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -11.462 32.650 11.884 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -11.278 32.568 10.949 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -10.613 32.526 12.308 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 3.213 28.155 6.336 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 3.493 27.248 6.461 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 3.972 28.589 5.947 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 3.827 25.418 6.385 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 4.009 24.969 7.210 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 3.227 24.833 5.921 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -12.339 29.232 11.985 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -11.847 29.011 11.195 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -11.977 30.073 12.266 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 5.693 25.485 2.913 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 6.106 24.764 2.437 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 6.375 26.155 2.971 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -7.958 38.967 10.400 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -8.177 38.051 10.569 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -7.134 39.107 10.866 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -1.912 25.101 10.393 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -2.587 24.472 10.648 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -1.348 24.617 9.790 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 1.904 23.718 5.370 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 1.201 24.332 5.160 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 1.459 22.880 5.501 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -1.984 40.691 3.313 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -1.118 41.057 3.135 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -2.231 40.251 2.500 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -7.655 23.600 19.268 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -6.756 23.326 19.083 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -8.041 22.857 19.732 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -9.030 40.401 1.941 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -9.298 40.688 2.814 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -8.259 39.855 2.093 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -5.577 26.861 20.519 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -6.008 26.416 21.249 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -6.295 27.233 20.007 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -11.060 27.349 22.995 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -10.586 27.940 22.410 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -11.778 27.880 23.342 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -10.369 31.879 21.599 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -9.753 32.506 21.978 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -11.231 32.195 21.870 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -6.597 25.978 22.928 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -6.680 26.867 23.274 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -5.707 25.713 23.159 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -10.022 29.070 21.104 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -10.067 30.009 21.283 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -10.910 28.834 20.834 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -12.026 25.490 24.896 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -12.951 25.699 24.766 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -11.572 25.974 24.206 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -10.749 23.533 22.874 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -10.310 24.144 22.283 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -11.383 24.071 23.348 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -8.888 25.449 21.317 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -8.397 24.819 20.789 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -8.265 25.745 21.980 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -11.864 46.777 -19.687 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -10.945 46.655 -19.451 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -12.314 46.027 -19.298 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -12.062 43.084 -23.328 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -12.727 42.838 -22.685 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -12.505 43.706 -23.905 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -8.079 44.848 -5.184 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -8.298 45.378 -5.950 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -8.747 45.075 -4.536 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -4.053 42.154 -7.731 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -4.170 41.205 -7.785 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -4.908 42.486 -7.458 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -6.784 43.057 -6.953 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -7.645 42.970 -7.361 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -6.806 43.913 -6.526 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -2.121 42.779 -3.579 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -1.701 42.364 -2.826 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -3.054 42.601 -3.462 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -12.335 45.459 -10.141 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -11.704 45.430 -9.421 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -11.885 45.034 -10.871 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -9.214 42.708 -7.935 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -9.443 42.767 -8.862 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -9.657 41.916 -7.628 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -5.557 45.005 -4.121 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -5.021 45.456 -4.773 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -6.409 44.897 -4.543 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -4.751 42.461 -3.689 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -4.849 43.408 -3.795 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -5.494 42.089 -4.165 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -9.310 45.754 0.003 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -9.099 45.047 -0.608 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -9.422 45.316 0.847 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -4.529 41.755 -1.018 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -3.817 41.115 -1.032 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -4.630 42.022 -1.932 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -12.339 48.088 -6.871 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -11.847 47.867 -7.661 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -11.977 48.929 -6.590 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -12.062 43.084 -4.472 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -12.727 42.838 -3.829 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -12.505 43.706 -5.049 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -9.586 42.591 -10.641 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -10.363 42.357 -11.149 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -9.055 41.794 -10.633 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -5.006 42.518 -10.828 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -4.132 42.906 -10.858 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -5.142 42.303 -9.905 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -9.628 43.105 -1.124 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -9.994 42.340 -0.681 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -8.715 43.134 -0.837 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -7.655 42.456 0.412 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -6.756 42.182 0.227 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -8.041 41.713 0.876 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -12.026 44.346 6.040 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -12.951 44.555 5.910 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -11.572 44.830 5.350 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -9.586 42.591 8.215 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -10.363 42.357 7.707 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -9.055 41.794 8.223 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -10.749 42.389 4.018 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -10.310 43.000 3.427 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -11.383 42.927 4.492 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -8.888 44.305 2.461 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -8.397 43.675 1.933 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -8.265 44.601 3.124 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 9.650 -24.807 13.185 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 9.692 -25.433 13.909 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 10.353 -24.184 13.367 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 10.574 -20.357 11.720 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 10.204 -21.159 11.351 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 11.515 -20.526 11.767 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 15.671 -21.989 11.998 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 15.975 -22.675 11.404 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 16.393 -21.871 12.616 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 13.346 -22.900 13.960 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 12.606 -22.302 14.063 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 14.060 -22.346 13.644 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 13.488 -20.165 11.141 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 13.393 -20.743 10.384 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 14.217 -20.536 11.637 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 12.488 -24.824 12.093 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 13.053 -24.703 11.330 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 12.807 -24.187 12.732 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 7.204 -22.160 14.864 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 6.703 -22.188 14.049 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 7.210 -23.066 15.174 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 6.955 -19.380 11.748 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 7.901 -19.524 11.729 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 6.842 -18.596 12.285 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 16.131 -19.140 16.306 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 16.218 -18.314 16.781 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 15.267 -19.470 16.555 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 12.163 -27.401 12.998 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 11.521 -27.442 13.707 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 12.200 -26.475 12.760 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 16.798 -26.589 18.215 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 16.235 -27.293 18.535 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 17.624 -26.709 18.682 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 9.913 -27.081 14.865 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 9.875 -26.681 15.733 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 9.422 -27.898 14.955 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 16.752 -22.180 16.219 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 16.406 -22.561 17.025 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 16.552 -21.246 16.290 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 10.357 -23.069 10.751 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 11.102 -23.071 10.150 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 10.435 -23.893 11.233 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 7.365 -24.608 16.066 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 7.588 -25.026 16.898 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 6.763 -25.221 15.644 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 14.674 -17.739 14.047 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 15.037 -16.884 13.814 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 15.206 -18.031 14.788 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 8.650 -18.050 14.059 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 8.867 -18.982 14.028 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 8.897 -17.776 14.943 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 16.254 -27.748 15.631 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 16.373 -27.174 16.388 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 16.909 -28.436 15.746 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 19.035 -18.864 18.761 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 18.684 -19.720 19.004 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 19.761 -18.721 19.368 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 12.547 -26.144 16.160 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 11.929 -25.469 16.441 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 12.891 -25.823 15.327 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 17.567 -23.673 19.438 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 18.520 -23.589 19.410 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 17.407 -24.384 20.057 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 12.887 -28.789 17.243 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 13.037 -29.518 16.640 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 12.889 -28.012 16.684 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 14.881 -24.980 14.975 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 15.632 -25.136 14.402 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 14.542 -24.128 14.699 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 11.365 -27.591 19.154 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 10.598 -28.123 18.944 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 12.044 -27.901 18.555 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 15.369 -28.641 18.730 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 15.133 -28.861 19.632 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 14.586 -28.848 18.221 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 9.546 -29.670 18.859 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 9.757 -30.377 18.248 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 9.434 -30.108 19.703 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 7.314 -16.993 9.433 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 6.980 -17.874 9.605 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 7.536 -16.648 10.297 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 7.394 -23.918 11.884 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 7.578 -24.000 10.949 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 8.243 -24.042 12.308 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 6.992 -28.647 18.025 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 7.911 -28.769 18.261 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 6.542 -29.397 18.414 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 16.251 -16.791 17.746 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 16.436 -17.125 18.624 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 17.098 -16.482 17.424 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 11.809 -15.334 13.864 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 10.944 -15.262 14.268 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 11.754 -14.787 13.080 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 8.757 -16.311 11.745 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 8.738 -16.736 12.602 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 9.562 -16.629 11.336 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 10.898 -17.601 10.400 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 10.679 -18.517 10.569 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 11.722 -17.461 10.866 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 13.435 -17.131 11.248 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 13.648 -18.019 10.961 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 13.500 -17.165 12.203 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 7.875 -21.265 24.385 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 7.603 -21.036 23.496 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 7.920 -20.427 24.845 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 17.070 -24.433 24.481 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 16.358 -23.898 24.130 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 17.761 -24.377 23.821 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 17.124 -25.975 21.520 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 17.825 -25.953 22.171 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 17.426 -26.603 20.864 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 11.111 -24.523 24.905 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 10.819 -23.755 24.414 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 10.437 -25.183 24.742 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 10.199 -16.579 26.749 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 10.351 -16.927 27.628 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 9.348 -16.935 26.494 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 13.279 -29.707 20.519 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 12.848 -30.152 21.249 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 12.561 -29.335 20.007 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 11.897 -26.929 21.902 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 11.355 -27.309 21.211 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 12.731 -26.735 21.473 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 15.232 -22.364 23.838 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 14.488 -22.871 23.515 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 15.098 -22.315 24.784 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 17.358 -20.905 22.863 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 17.063 -20.079 23.245 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 16.655 -21.525 23.059 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 12.732 -19.551 27.012 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 13.259 -18.778 26.811 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 11.852 -19.326 26.710 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 8.487 -24.689 21.599 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 9.103 -24.062 21.978 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 7.625 -24.373 21.870 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 12.843 -16.866 26.133 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 11.893 -16.761 26.185 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 13.194 -16.046 26.478 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 13.449 -20.029 22.581 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 13.596 -20.549 23.371 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 13.446 -19.122 22.887 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 16.187 -18.331 23.330 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 15.370 -17.834 23.383 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 16.716 -17.856 22.690 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 13.525 -17.288 23.312 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 13.686 -16.488 22.811 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 13.328 -16.981 24.197 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 8.834 -27.498 21.104 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 8.789 -26.559 21.283 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 7.946 -27.734 20.834 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 8.572 -18.776 25.938 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 7.740 -18.303 25.965 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 9.118 -18.266 25.339 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 16.550 -17.736 20.263 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 15.906 -18.367 20.585 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 17.312 -18.267 20.031 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 17.461 -20.962 20.090 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 17.193 -20.782 20.991 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 17.255 -21.888 19.959 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 13.258 -24.037 22.660 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 12.799 -24.521 23.346 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 13.513 -24.705 22.024 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 14.329 -25.794 20.923 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 14.149 -25.948 19.995 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 15.280 -25.686 20.967 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 14.227 -15.103 21.924 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 15.160 -14.945 22.068 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 13.963 -14.428 21.299 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 6.444 -15.074 26.484 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 5.797 -15.536 25.951 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 6.799 -15.746 27.067 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 7.314 -16.993 28.289 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 6.980 -17.874 28.461 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 7.536 -16.648 29.153 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 9.650 -5.951 13.185 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 9.692 -6.577 13.909 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 10.353 -5.328 13.367 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 10.574 -1.501 11.720 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 10.204 -2.303 11.351 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 11.515 -1.670 11.767 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 8.587 -8.241 10.360 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 9.241 -8.791 10.792 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 8.611 -8.515 9.444 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 10.777 -11.720 13.672 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 10.558 -11.190 12.906 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 10.109 -11.493 14.320 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 10.371 -9.828 11.625 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 10.984 -9.195 11.998 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 10.883 -10.300 10.968 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 11.754 -2.080 14.747 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 11.748 -1.201 14.369 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 10.900 -2.163 15.172 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 13.368 -1.569 16.810 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 13.056 -0.787 17.266 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 12.718 -1.722 16.124 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 10.288 -5.371 16.039 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 10.358 -4.720 16.737 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 9.397 -5.268 15.704 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 11.607 0.503 17.574 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 11.615 0.367 16.626 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 10.691 0.385 17.826 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 6.955 -0.524 11.748 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 7.901 -0.668 11.729 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 6.842 0.260 12.285 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 12.072 -13.511 11.903 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 11.211 -13.598 11.495 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 12.050 -12.655 12.330 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 9.913 -8.225 14.865 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 9.875 -7.825 15.733 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 9.422 -9.042 14.955 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 6.521 -11.109 8.715 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 7.152 -11.138 9.435 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 6.971 -11.534 7.985 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 10.032 -3.516 18.145 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 10.765 -3.262 18.706 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 9.252 -3.312 18.660 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 10.357 -4.213 10.751 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 11.102 -4.215 10.150 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 10.435 -5.037 11.233 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 8.650 0.806 14.059 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 8.867 -0.126 14.028 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 8.897 1.080 14.943 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 9.642 -13.860 10.921 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 9.413 -13.801 9.994 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 9.199 -14.652 11.228 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 7.861 2.693 18.412 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 8.401 2.476 19.171 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 7.380 1.887 18.222 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 12.547 -7.288 16.160 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 11.929 -6.613 16.441 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 12.891 -6.967 15.327 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 12.887 -9.933 17.243 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 13.037 -10.662 16.640 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 12.889 -9.156 16.684 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 13.299 -11.563 14.735 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 13.835 -11.112 14.083 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 12.447 -11.671 14.313 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 11.365 -8.735 19.154 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 10.598 -9.267 18.944 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 12.044 -9.045 18.555 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 14.105 -14.107 15.167 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 14.007 -13.160 15.061 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 13.362 -14.479 14.691 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 14.327 -14.813 17.838 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 15.039 -15.453 17.824 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 14.226 -14.546 16.924 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 14.680 -13.130 19.892 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 14.549 -13.606 19.071 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 14.081 -12.386 19.836 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 7.394 -5.062 11.884 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 7.578 -5.144 10.949 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 8.243 -5.186 12.308 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 8.213 -11.479 10.916 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 8.658 -12.271 11.218 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 8.679 -10.763 11.347 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 6.517 -8.480 11.985 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 7.009 -8.701 11.195 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 6.879 -7.639 12.266 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 8.986 -0.309 18.528 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 8.165 -0.134 18.068 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 8.734 -0.382 19.449 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 11.940 0.666 14.787 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 11.515 1.475 14.504 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 12.845 0.751 14.485 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 9.342 3.922 14.834 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 8.622 4.362 14.383 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 8.976 3.671 15.683 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 8.757 2.545 11.745 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 8.738 2.120 12.602 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 9.562 2.227 11.336 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 7.184 -7.841 25.969 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 6.736 -6.995 25.951 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 6.623 -8.421 25.454 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 7.894 -5.679 28.095 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 8.108 -6.449 28.622 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 8.632 -5.590 27.492 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 7.875 -2.409 24.385 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 7.603 -2.180 23.496 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 7.920 -1.571 24.845 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 11.111 -5.667 24.905 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 10.819 -4.899 24.414 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 10.437 -6.327 24.742 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 13.279 -10.851 20.519 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 12.848 -11.296 21.249 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 12.561 -10.479 20.007 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 6.521 -11.109 27.571 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 7.152 -11.138 28.291 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 6.971 -11.534 26.841 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 9.570 -9.268 26.679 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 8.681 -9.168 26.339 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 9.866 -10.110 26.333 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 13.223 -9.268 24.335 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 14.155 -9.139 24.513 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 13.008 -8.598 23.686 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 11.897 -8.073 21.902 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 11.355 -8.453 21.211 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 12.731 -7.879 21.473 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 11.064 -11.973 26.157 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 10.747 -12.875 26.122 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 11.845 -11.971 25.605 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 9.902 -3.920 23.091 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 9.216 -3.568 23.658 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 10.425 -3.157 22.845 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 12.259 -11.734 22.928 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 12.176 -10.845 23.274 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 13.149 -11.999 23.159 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 10.518 -1.306 21.988 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 11.110 -0.607 22.264 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 10.977 -1.739 21.269 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 8.572 0.080 25.938 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 7.740 0.553 25.965 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 9.118 0.590 25.339 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 12.109 -3.153 20.354 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 12.173 -3.947 20.885 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 12.762 -3.272 19.665 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 7.795 -1.611 21.407 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 8.709 -1.532 21.680 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 7.802 -2.298 20.740 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 6.444 3.782 26.484 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 5.797 3.320 25.951 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 6.799 3.110 27.067 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 7.314 1.863 28.289 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 6.980 0.982 28.461 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 7.536 2.208 29.153 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 9.270 -13.977 27.071 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 8.493 -14.211 26.563 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 9.801 -14.774 27.079 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 8.008 1.769 23.772 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 7.323 1.731 23.104 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 8.011 2.682 24.060 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 14.994 -11.970 23.774 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 15.172 -12.616 24.457 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 14.940 -11.136 24.241 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 9.826 2.689 20.797 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 9.558 2.976 21.670 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 10.597 2.143 20.949 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 6.992 9.065 18.025 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 7.911 8.943 18.261 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 6.542 8.315 18.414 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 6.794 5.372 14.384 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 6.129 5.126 15.027 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 6.351 5.994 13.807 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 7.365 31.960 -2.790 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 7.588 31.542 -1.958 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 6.763 31.347 -3.212 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 6.992 27.921 -0.831 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 7.911 27.799 -0.595 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 6.542 27.171 -0.442 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 7.796 27.349 4.139 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 8.270 27.940 3.554 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 7.078 27.880 4.486 0.00 0.00 WAT1 END