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 13:35:10 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -2.480 -24.637 19.179 1.00 13.42 ATOM 2 CB MET 1 -4.084 -26.051 19.327 1.00 21.31 ATOM 3 HB1 MET 1 -5.034 -26.121 19.841 1.00 36.88 ATOM 4 HB2 MET 1 -3.498 -26.927 19.575 1.00 74.24 ATOM 5 CG MET 1 -4.355 -26.054 17.831 1.00 32.05 ATOM 6 HG1 MET 1 -4.777 -25.103 17.539 1.00 36.88 ATOM 7 HG2 MET 1 -5.066 -26.838 17.615 1.00 11.25 ATOM 8 SD MET 1 -2.868 -26.352 16.856 1.00 32.43 ATOM 9 CE MET 1 -3.579 -26.670 15.243 1.00 12.33 ATOM 10 HE1 MET 1 -4.141 -25.806 14.921 1.00 52.42 ATOM 11 HE2 MET 1 -4.236 -27.525 15.301 1.00 30.44 ATOM 12 HE3 MET 1 -2.789 -26.871 14.535 1.00 52.34 ATOM 13 C MET 1 -4.261 -23.590 19.740 1.00 34.33 ATOM 14 O MET 1 -5.359 -23.597 20.297 1.00 65.32 ATOM 15 N MET 1 -2.849 -25.005 21.170 1.00 44.53 ATOM 16 HT1 MET 1 -3.640 -25.172 21.831 1.00 36.88 ATOM 17 HT2 MET 1 -2.321 -24.165 21.490 1.00 36.88 ATOM 18 HT3 MET 1 -2.207 -25.826 21.205 1.00 36.88 ATOM 19 CA MET 1 -3.341 -24.805 19.812 1.00 51.33 ATOM 20 N GLY 2 -3.806 -22.548 19.052 1.00 54.15 ATOM 21 HN GLY 2 -2.921 -22.586 18.624 1.00 36.88 ATOM 22 CA GLY 2 -4.602 -21.341 18.921 1.00 45.11 ATOM 23 HA1 GLY 2 -3.935 -20.492 18.950 1.00 36.88 ATOM 24 HA2 GLY 2 -5.296 -21.256 19.750 1.00 52.35 ATOM 25 C GLY 2 -5.375 -21.294 17.618 1.00 64.11 ATOM 26 O GLY 2 -4.972 -21.904 16.626 1.00 11.54 ATOM 27 N HIS 3 -6.490 -20.570 17.619 1.00 65.23 ATOM 28 HN HIS 3 -6.771 -20.114 18.449 1.00 36.88 ATOM 29 CA HIS 3 -7.322 -20.447 16.427 1.00 31.24 ATOM 30 HA HIS 3 -6.670 -20.408 15.560 1.00 4.44 ATOM 31 CB HIS 3 -8.238 -21.664 16.292 1.00 15.41 ATOM 32 HB1 HIS 3 -7.628 -22.545 16.154 1.00 36.88 ATOM 33 HB2 HIS 3 -8.879 -21.541 15.429 1.00 65.31 ATOM 34 CG HIS 3 -9.109 -21.894 17.489 1.00 25.12 ATOM 35 ND1 HIS 3 -10.472 -21.686 17.480 1.00 23.41 ATOM 36 HD1 HIS 3 -10.999 -21.374 16.715 1.00 42.31 ATOM 37 CD2 HIS 3 -8.803 -22.319 18.737 1.00 5.25 ATOM 38 HD2 HIS 3 -7.819 -22.579 19.102 1.00 31.31 ATOM 39 CE1 HIS 3 -10.966 -21.972 18.671 1.00 13.34 ATOM 40 HE1 HIS 3 -12.005 -21.903 18.957 1.00 22.52 ATOM 41 NE2 HIS 3 -9.974 -22.358 19.453 1.00 71.32 ATOM 42 HE2 HIS 3 -10.076 -22.722 20.357 1.00 36.88 ATOM 43 C HIS 3 -8.156 -19.170 16.477 1.00 62.44 ATOM 44 O HIS 3 -8.905 -18.942 17.427 1.00 4.12 ATOM 45 N HIS 4 -8.020 -18.341 15.447 1.00 52.31 ATOM 46 HN HIS 4 -7.409 -18.567 14.710 1.00 36.88 ATOM 47 CA HIS 4 -8.761 -17.086 15.373 1.00 30.41 ATOM 48 HA HIS 4 -8.441 -16.565 14.481 1.00 23.33 ATOM 49 CB HIS 4 -10.263 -17.361 15.294 1.00 11.32 ATOM 50 HB1 HIS 4 -10.814 -16.473 15.577 1.00 36.88 ATOM 51 HB2 HIS 4 -10.537 -18.159 15.960 1.00 53.11 ATOM 52 CG HIS 4 -10.733 -17.734 13.922 1.00 44.23 ATOM 53 ND1 HIS 4 -11.568 -18.804 13.677 1.00 45.51 ATOM 54 HD1 HIS 4 -11.931 -19.414 14.353 1.00 41.34 ATOM 55 CD2 HIS 4 -10.481 -17.172 12.717 1.00 44.54 ATOM 56 HD2 HIS 4 -9.860 -16.307 12.531 1.00 21.41 ATOM 57 CE1 HIS 4 -11.807 -18.884 12.380 1.00 34.23 ATOM 58 HE1 HIS 4 -12.428 -19.624 11.897 1.00 44.12 ATOM 59 NE2 HIS 4 -11.160 -17.905 11.775 1.00 1.10 ATOM 60 HE2 HIS 4 -11.244 -17.674 10.826 1.00 36.88 ATOM 61 C HIS 4 -8.456 -16.203 16.579 1.00 22.43 ATOM 62 O HIS 4 -9.292 -15.405 17.005 1.00 63.42 ATOM 63 N HIS 5 -7.254 -16.352 17.127 1.00 63.43 ATOM 64 HN HIS 5 -6.599 -16.965 16.723 1.00 36.88 ATOM 65 CA HIS 5 -6.838 -15.568 18.284 1.00 34.45 ATOM 66 HA HIS 5 -7.731 -15.262 18.823 1.00 42.31 ATOM 67 CB HIS 5 -5.974 -16.416 19.218 1.00 63.54 ATOM 68 HB1 HIS 5 -4.933 -16.354 18.924 1.00 36.88 ATOM 69 HB2 HIS 5 -6.292 -17.448 19.154 1.00 34.32 ATOM 70 CG HIS 5 -6.071 -16.012 20.657 1.00 70.45 ATOM 71 ND1 HIS 5 -5.180 -15.148 21.258 1.00 72.35 ATOM 72 HD1 HIS 5 -4.413 -14.721 20.822 1.00 14.54 ATOM 73 CD2 HIS 5 -6.962 -16.358 21.615 1.00 54.13 ATOM 74 HD2 HIS 5 -7.804 -17.025 21.496 1.00 52.21 ATOM 75 CE1 HIS 5 -5.518 -14.981 22.524 1.00 73.34 ATOM 76 HE1 HIS 5 -5.001 -14.358 23.239 1.00 22.43 ATOM 77 NE2 HIS 5 -6.597 -15.704 22.766 1.00 60.13 ATOM 78 HE2 HIS 5 -7.002 -15.836 23.648 1.00 36.88 ATOM 79 C HIS 5 -6.070 -14.324 17.850 1.00 2.15 ATOM 80 O HIS 5 -5.060 -14.417 17.151 1.00 34.53 ATOM 81 N HIS 6 -6.554 -13.159 18.269 1.00 14.00 ATOM 82 HN HIS 6 -7.375 -13.140 18.816 1.00 36.88 ATOM 83 CA HIS 6 -5.913 -11.895 17.923 1.00 22.52 ATOM 84 HA HIS 6 -4.863 -12.074 17.727 1.00 43.11 ATOM 85 CB HIS 6 -6.552 -11.302 16.667 1.00 3.34 ATOM 86 HB1 HIS 6 -6.331 -11.945 15.827 1.00 36.88 ATOM 87 HB2 HIS 6 -6.139 -10.321 16.476 1.00 22.22 ATOM 88 CG HIS 6 -8.041 -11.168 16.759 1.00 44.11 ATOM 89 ND1 HIS 6 -8.914 -12.085 16.213 1.00 23.01 ATOM 90 HD1 HIS 6 -8.661 -12.895 15.722 1.00 24.02 ATOM 91 CD2 HIS 6 -8.810 -10.217 17.339 1.00 30.31 ATOM 92 HD2 HIS 6 -8.458 -9.341 17.865 1.00 12.45 ATOM 93 CE1 HIS 6 -10.156 -11.703 16.452 1.00 63.51 ATOM 94 HE1 HIS 6 -11.049 -12.227 16.143 1.00 73.41 ATOM 95 NE2 HIS 6 -10.120 -10.573 17.134 1.00 34.02 ATOM 96 HE2 HIS 6 -10.900 -10.120 17.517 1.00 36.88 ATOM 97 C HIS 6 -6.012 -10.902 19.077 1.00 20.20 ATOM 98 O HIS 6 -6.765 -11.113 20.028 1.00 30.13 ATOM 99 N HIS 7 -5.247 -9.819 18.987 1.00 64.13 ATOM 100 HN HIS 7 -4.671 -9.700 18.194 1.00 36.88 ATOM 101 CA HIS 7 -5.248 -8.793 20.023 1.00 33.14 ATOM 102 HA HIS 7 -5.216 -9.290 20.989 1.00 3.35 ATOM 103 CB HIS 7 -4.011 -7.904 19.893 1.00 21.51 ATOM 104 HB1 HIS 7 -4.106 -7.049 20.552 1.00 36.88 ATOM 105 HB2 HIS 7 -3.931 -7.558 18.874 1.00 70.24 ATOM 106 CG HIS 7 -2.733 -8.603 20.242 1.00 44.30 ATOM 107 ND1 HIS 7 -2.112 -8.469 21.466 1.00 45.43 ATOM 108 HD1 HIS 7 -2.431 -7.921 22.213 1.00 44.04 ATOM 109 CD2 HIS 7 -1.959 -9.447 19.520 1.00 52.44 ATOM 110 HD2 HIS 7 -2.145 -9.780 18.508 1.00 43.25 ATOM 111 CE1 HIS 7 -1.010 -9.198 21.480 1.00 34.35 ATOM 112 HE1 HIS 7 -0.321 -9.286 22.307 1.00 24.02 ATOM 113 NE2 HIS 7 -0.895 -9.802 20.311 1.00 32.35 ATOM 114 HE2 HIS 7 -0.121 -10.329 20.021 1.00 36.88 ATOM 115 C HIS 7 -6.512 -7.941 19.943 1.00 64.42 ATOM 116 O HIS 7 -6.746 -7.252 18.949 1.00 24.15 ATOM 117 N HIS 8 -7.323 -7.994 20.994 1.00 35.40 ATOM 118 HN HIS 8 -7.066 -8.543 21.768 1.00 36.88 ATOM 119 CA HIS 8 -8.563 -7.228 21.042 1.00 54.22 ATOM 120 HA HIS 8 -8.906 -7.055 20.027 1.00 3.43 ATOM 121 CB HIS 8 -9.646 -8.014 21.783 1.00 44.15 ATOM 122 HB1 HIS 8 -9.829 -8.939 21.255 1.00 36.88 ATOM 123 HB2 HIS 8 -10.559 -7.435 21.807 1.00 62.02 ATOM 124 CG HIS 8 -9.277 -8.357 23.193 1.00 62.51 ATOM 125 ND1 HIS 8 -8.610 -9.514 23.536 1.00 65.52 ATOM 126 HD1 HIS 8 -8.317 -10.212 22.913 1.00 30.25 ATOM 127 CD2 HIS 8 -9.484 -7.688 24.351 1.00 53.54 ATOM 128 HD2 HIS 8 -9.981 -6.734 24.460 1.00 71.00 ATOM 129 CE1 HIS 8 -8.424 -9.542 24.843 1.00 32.25 ATOM 130 HE1 HIS 8 -7.929 -10.328 25.394 1.00 52.54 ATOM 131 NE2 HIS 8 -8.945 -8.445 25.361 1.00 14.45 ATOM 132 HE2 HIS 8 -8.864 -8.169 26.298 1.00 36.88 ATOM 133 C HIS 8 -8.343 -5.879 21.721 1.00 63.42 ATOM 134 O HIS 8 -7.493 -5.749 22.601 1.00 3.25 ATOM 135 N SER 9 -9.113 -4.879 21.305 1.00 71.55 ATOM 136 HN SER 9 -9.772 -5.043 20.588 1.00 36.88 ATOM 137 CA SER 9 -8.998 -3.540 21.869 1.00 15.03 ATOM 138 HA SER 9 -8.877 -3.627 22.942 1.00 22.12 ATOM 139 CB SER 9 -7.778 -2.822 21.291 1.00 64.35 ATOM 140 HB1 SER 9 -7.717 -1.820 21.696 1.00 36.88 ATOM 141 HB2 SER 9 -7.868 -2.770 20.216 1.00 41.34 ATOM 142 OG SER 9 -6.582 -3.512 21.611 1.00 44.35 ATOM 143 HG SER 9 -6.315 -3.297 22.508 1.00 53.31 ATOM 144 C SER 9 -10.259 -2.725 21.595 1.00 22.12 ATOM 145 O SER 9 -11.164 -3.178 20.894 1.00 53.53 ATOM 146 N HIS 10 -10.310 -1.520 22.154 1.00 70.10 ATOM 147 HN HIS 10 -9.564 -1.213 22.721 1.00 36.88 ATOM 148 CA HIS 10 -11.459 -0.640 21.970 1.00 22.31 ATOM 149 HA HIS 10 -12.025 -0.978 21.107 1.00 4.32 ATOM 150 CB HIS 10 -12.366 -0.687 23.200 1.00 71.51 ATOM 151 HB1 HIS 10 -13.100 0.108 23.141 1.00 36.88 ATOM 152 HB2 HIS 10 -11.766 -0.549 24.087 1.00 21.32 ATOM 153 CG HIS 10 -13.111 -1.979 23.346 1.00 43.33 ATOM 154 ND1 HIS 10 -12.768 -2.946 24.267 1.00 4.41 ATOM 155 HD1 HIS 10 -12.024 -2.893 24.903 1.00 25.40 ATOM 156 CD2 HIS 10 -14.188 -2.460 22.682 1.00 43.55 ATOM 157 HD2 HIS 10 -14.725 -1.963 21.886 1.00 65.51 ATOM 158 CE1 HIS 10 -13.600 -3.966 24.162 1.00 11.11 ATOM 159 HE1 HIS 10 -13.573 -4.867 24.757 1.00 65.32 ATOM 160 NE2 HIS 10 -14.472 -3.696 23.207 1.00 1.24 ATOM 161 HE2 HIS 10 -15.257 -4.240 22.989 1.00 36.88 ATOM 162 C HIS 10 -11.009 0.794 21.710 1.00 5.12 ATOM 163 O HIS 10 -10.096 1.296 22.365 1.00 2.42 ATOM 164 N MET 11 -11.655 1.447 20.750 1.00 44.22 ATOM 165 HN MET 11 -12.377 0.990 20.255 1.00 36.88 ATOM 166 CA MET 11 -11.320 2.824 20.404 1.00 32.11 ATOM 167 HA MET 11 -11.357 3.417 21.310 1.00 12.04 ATOM 168 CB MET 11 -9.907 2.897 19.823 1.00 51.55 ATOM 169 HB1 MET 11 -9.207 2.575 20.577 1.00 36.88 ATOM 170 HB2 MET 11 -9.678 3.926 19.572 1.00 55.32 ATOM 171 CG MET 11 -9.707 2.018 18.599 1.00 50.01 ATOM 172 HG1 MET 11 -10.341 1.145 18.658 1.00 36.88 ATOM 173 HG2 MET 11 -8.675 1.700 18.577 1.00 23.25 ATOM 174 SD MET 11 -10.060 2.883 17.057 1.00 44.03 ATOM 175 CE MET 11 -9.564 1.650 15.856 1.00 45.11 ATOM 176 HE1 MET 11 -9.722 2.035 14.859 1.00 0.44 ATOM 177 HE2 MET 11 -10.153 0.756 15.994 1.00 24.12 ATOM 178 HE3 MET 11 -8.518 1.416 15.991 1.00 11.32 ATOM 179 C MET 11 -12.324 3.393 19.406 1.00 23.11 ATOM 180 O MET 11 -12.906 2.657 18.609 1.00 4.53 ATOM 181 N ALA 12 -12.521 4.706 19.456 1.00 54.21 ATOM 182 HN ALA 12 -12.035 5.249 20.120 1.00 36.88 ATOM 183 CA ALA 12 -13.453 5.373 18.555 1.00 12.10 ATOM 184 HA ALA 12 -13.794 4.665 17.807 1.00 23.33 ATOM 185 CB ALA 12 -14.678 5.851 19.321 1.00 4.14 ATOM 186 HB1 ALA 12 -15.387 6.292 18.635 1.00 71.45 ATOM 187 HB2 ALA 12 -14.383 6.586 20.057 1.00 22.31 ATOM 188 HB3 ALA 12 -15.138 5.010 19.819 1.00 63.33 ATOM 189 C ALA 12 -12.784 6.542 17.841 1.00 52.45 ATOM 190 O ALA 12 -11.978 7.264 18.428 1.00 31.14 ATOM 191 N LYS 13 -13.123 6.724 16.569 1.00 42.53 ATOM 192 HN LYS 13 -13.784 6.118 16.155 1.00 36.88 ATOM 193 CA LYS 13 -12.556 7.807 15.773 1.00 62.42 ATOM 194 HA LYS 13 -11.489 7.829 15.967 1.00 2.14 ATOM 195 CB LYS 13 -12.795 7.551 14.283 1.00 14.30 ATOM 196 HB1 LYS 13 -12.893 8.496 13.761 1.00 36.88 ATOM 197 HB2 LYS 13 -13.718 7.000 14.162 1.00 42.33 ATOM 198 CG LYS 13 -11.687 6.755 13.616 1.00 3.53 ATOM 199 HG1 LYS 13 -11.723 5.741 13.988 1.00 36.88 ATOM 200 HG2 LYS 13 -10.729 7.191 13.870 1.00 55.00 ATOM 201 CD LYS 13 -11.853 6.725 12.106 1.00 3.22 ATOM 202 HD1 LYS 13 -12.905 6.678 11.851 1.00 36.88 ATOM 203 HD2 LYS 13 -11.356 5.845 11.723 1.00 62.44 ATOM 204 CE LYS 13 -11.239 7.954 11.453 1.00 1.12 ATOM 205 HE1 LYS 13 -11.481 8.835 12.034 1.00 36.88 ATOM 206 HE2 LYS 13 -11.656 8.058 10.462 1.00 53.50 ATOM 207 NZ LYS 13 -9.759 7.839 11.336 1.00 2.12 ATOM 208 HZ1 LYS 13 -9.504 7.006 10.764 1.00 11.02 ATOM 209 HZ2 LYS 13 -9.326 7.745 12.277 1.00 63.44 ATOM 210 HZ3 LYS 13 -9.373 8.689 10.876 1.00 51.25 ATOM 211 C LYS 13 -13.159 9.150 16.173 1.00 65.44 ATOM 212 O LYS 13 -14.226 9.221 16.782 1.00 51.44 ATOM 213 N PRO 14 -12.461 10.240 15.822 1.00 41.22 ATOM 214 CA PRO 14 -12.910 11.601 16.132 1.00 22.34 ATOM 215 HA PRO 14 -13.120 11.718 17.186 1.00 2.54 ATOM 216 CB PRO 14 -11.707 12.467 15.750 1.00 72.04 ATOM 217 HB1 PRO 14 -11.091 12.625 16.622 1.00 36.88 ATOM 218 HB2 PRO 14 -12.029 13.425 15.359 1.00 44.13 ATOM 219 CG PRO 14 -10.980 11.672 14.721 1.00 24.21 ATOM 220 HG1 PRO 14 -9.929 11.921 14.739 1.00 36.88 ATOM 221 HG2 PRO 14 -11.396 11.868 13.744 1.00 24.32 ATOM 222 CD PRO 14 -11.181 10.229 15.095 1.00 44.25 ATOM 223 HD1 PRO 14 -10.378 9.891 15.734 1.00 36.88 ATOM 224 HD2 PRO 14 -11.228 9.632 14.206 1.00 23.53 ATOM 225 C PRO 14 -14.137 12.005 15.323 1.00 50.22 ATOM 226 O PRO 14 -14.499 11.342 14.350 1.00 44.41 ATOM 227 N THR 15 -14.775 13.098 15.730 1.00 51.20 ATOM 228 HN THR 15 -14.444 13.583 16.524 1.00 36.88 ATOM 229 CA THR 15 -15.962 13.591 15.043 1.00 73.21 ATOM 230 HA THR 15 -15.802 13.503 13.974 1.00 51.54 ATOM 231 CB THR 15 -17.208 12.763 15.411 1.00 52.20 ATOM 232 HB THR 15 -17.006 11.723 15.196 1.00 61.51 ATOM 233 OG1 THR 15 -18.330 13.194 14.632 1.00 11.35 ATOM 234 HG1 THR 15 -18.967 12.479 14.560 1.00 2.04 ATOM 235 CG2 THR 15 -17.530 12.899 16.892 1.00 61.24 ATOM 236 HG21 THR 15 -16.642 12.724 17.484 1.00 41.43 ATOM 237 HG22 THR 15 -18.281 12.169 17.158 1.00 10.50 ATOM 238 HG23 THR 15 -17.912 13.888 17.096 1.00 61.02 ATOM 239 C THR 15 -16.222 15.055 15.376 1.00 14.41 ATOM 240 O THR 15 -15.784 15.553 16.412 1.00 2.34 ATOM 241 N ALA 16 -16.939 15.740 14.491 1.00 11.40 ATOM 242 HN ALA 16 -17.254 15.294 13.669 1.00 36.88 ATOM 243 CA ALA 16 -17.260 17.148 14.693 1.00 21.12 ATOM 244 HA ALA 16 -17.154 17.392 15.744 1.00 74.10 ATOM 245 CB ALA 16 -16.294 18.027 13.912 1.00 73.31 ATOM 246 HB1 ALA 16 -16.493 19.067 14.125 1.00 62.44 ATOM 247 HB2 ALA 16 -16.412 17.847 12.852 1.00 64.02 ATOM 248 HB3 ALA 16 -15.281 17.790 14.203 1.00 25.34 ATOM 249 C ALA 16 -18.699 17.447 14.286 1.00 45.04 ATOM 250 O ALA 16 -19.403 16.576 13.775 1.00 20.12 ATOM 251 N ARG 17 -19.129 18.683 14.515 1.00 43.41 ATOM 252 HN ARG 17 -18.515 19.341 14.920 1.00 36.88 ATOM 253 CA ARG 17 -20.485 19.096 14.173 1.00 5.31 ATOM 254 HA ARG 17 -21.161 18.284 14.428 1.00 54.15 ATOM 255 CB ARG 17 -20.878 20.340 14.972 1.00 51.44 ATOM 256 HB1 ARG 17 -21.617 20.912 14.420 1.00 36.88 ATOM 257 HB2 ARG 17 -20.001 20.960 15.104 1.00 13.31 ATOM 258 CG ARG 17 -21.436 20.028 16.350 1.00 34.23 ATOM 259 HG1 ARG 17 -21.219 20.859 17.005 1.00 36.88 ATOM 260 HG2 ARG 17 -20.970 19.133 16.742 1.00 45.11 ATOM 261 CD ARG 17 -22.942 19.822 16.308 1.00 15.10 ATOM 262 HD1 ARG 17 -23.268 19.475 17.278 1.00 36.88 ATOM 263 HD2 ARG 17 -23.176 19.071 15.564 1.00 71.05 ATOM 264 NE ARG 17 -23.655 21.056 15.986 1.00 65.24 ATOM 265 HE ARG 17 -23.127 21.883 15.890 1.00 5.12 ATOM 266 CZ ARG 17 -24.970 21.122 15.817 1.00 54.22 ATOM 267 NH1 ARG 17 -25.714 20.031 15.940 1.00 43.23 ATOM 268 HH11 ARG 17 -25.306 19.146 16.160 1.00 53.24 ATOM 269 HH12 ARG 17 -26.706 20.090 15.811 1.00 4.13 ATOM 270 NH2 ARG 17 -25.545 22.282 15.525 1.00 75.10 ATOM 271 HH21 ARG 17 -24.989 23.110 15.431 1.00 54.52 ATOM 272 HH22 ARG 17 -26.538 22.335 15.397 1.00 24.20 ATOM 273 C ARG 17 -20.606 19.378 12.679 1.00 54.55 ATOM 274 O ARG 17 -19.701 19.945 12.067 1.00 33.14 ATOM 275 N GLY 18 -21.733 18.978 12.096 1.00 44.43 ATOM 276 HN GLY 18 -22.430 18.529 12.626 1.00 36.88 ATOM 277 CA GLY 18 -21.952 19.196 10.678 1.00 51.22 ATOM 278 HA1 GLY 18 -22.236 18.254 10.234 1.00 36.88 ATOM 279 HA2 GLY 18 -21.043 19.537 10.194 1.00 60.33 ATOM 280 C GLY 18 -23.059 20.197 10.409 1.00 22.43 ATOM 281 O GLY 18 -24.230 19.828 10.327 1.00 42.23 ATOM 282 N GLU 19 -22.687 21.466 10.275 1.00 72.15 ATOM 283 HN GLU 19 -21.731 21.697 10.347 1.00 36.88 ATOM 284 CA GLU 19 -23.659 22.522 10.017 1.00 42.25 ATOM 285 HA GLU 19 -24.537 22.335 10.626 1.00 62.23 ATOM 286 CB GLU 19 -23.080 23.884 10.406 1.00 12.10 ATOM 287 HB1 GLU 19 -22.719 23.822 11.423 1.00 36.88 ATOM 288 HB2 GLU 19 -23.868 24.624 10.367 1.00 75.02 ATOM 289 CG GLU 19 -21.925 24.329 9.525 1.00 54.44 ATOM 290 HG1 GLU 19 -21.366 23.466 9.188 1.00 36.88 ATOM 291 HG2 GLU 19 -21.276 24.963 10.110 1.00 21.23 ATOM 292 CD GLU 19 -22.386 25.114 8.312 1.00 52.42 ATOM 293 OE1 GLU 19 -23.165 26.075 8.488 1.00 22.14 ATOM 294 OE2 GLU 19 -21.969 24.769 7.187 1.00 71.41 ATOM 295 C GLU 19 -24.072 22.534 8.548 1.00 52.34 ATOM 296 O GLU 19 -23.329 22.080 7.679 1.00 64.31 ATOM 297 N ALA 20 -25.264 23.057 8.279 1.00 50.32 ATOM 298 HN ALA 20 -25.817 23.416 9.013 1.00 36.88 ATOM 299 CA ALA 20 -25.776 23.130 6.916 1.00 14.32 ATOM 300 HA ALA 20 -25.152 22.531 6.263 1.00 42.23 ATOM 301 CB ALA 20 -27.184 22.556 6.850 1.00 23.41 ATOM 302 HB1 ALA 20 -27.861 23.181 7.416 1.00 54.20 ATOM 303 HB2 ALA 20 -27.183 21.561 7.271 1.00 14.43 ATOM 304 HB3 ALA 20 -27.512 22.507 5.823 1.00 54.12 ATOM 305 C ALA 20 -25.764 24.566 6.401 1.00 33.52 ATOM 306 O ALA 20 -25.345 25.484 7.104 1.00 0.01 ATOM 307 N GLY 21 -26.227 24.751 5.168 1.00 1.25 ATOM 308 HN GLY 21 -26.539 23.980 4.640 1.00 36.88 ATOM 309 CA GLY 21 -26.259 26.078 4.580 1.00 34.53 ATOM 310 HA1 GLY 21 -25.306 26.567 4.750 1.00 36.88 ATOM 311 HA2 GLY 21 -27.035 26.653 5.064 1.00 54.33 ATOM 312 C GLY 21 -26.536 26.044 3.090 1.00 15.44 ATOM 313 O GLY 21 -27.323 25.225 2.617 1.00 73.04 ATOM 314 N SER 22 -25.890 26.939 2.350 1.00 63.22 ATOM 315 HN SER 22 -25.259 27.561 2.785 1.00 36.88 ATOM 316 CA SER 22 -26.075 27.012 0.905 1.00 2.42 ATOM 317 HA SER 22 -27.127 26.875 0.685 1.00 12.11 ATOM 318 CB SER 22 -25.643 28.384 0.384 1.00 53.42 ATOM 319 HB1 SER 22 -25.980 28.504 -0.634 1.00 36.88 ATOM 320 HB2 SER 22 -24.564 28.468 0.418 1.00 51.31 ATOM 321 OG SER 22 -26.199 29.426 1.168 1.00 71.13 ATOM 322 HG SER 22 -25.661 29.565 1.951 1.00 74.24 ATOM 323 C SER 22 -25.283 25.916 0.200 1.00 72.44 ATOM 324 O SER 22 -24.632 25.093 0.843 1.00 4.04 ATOM 325 N ARG 23 -25.345 25.911 -1.128 1.00 32.40 ATOM 326 HN ARG 23 -25.895 26.585 -1.592 1.00 36.88 ATOM 327 CA ARG 23 -24.636 24.915 -1.922 1.00 61.13 ATOM 328 HA ARG 23 -24.897 23.933 -1.548 1.00 21.12 ATOM 329 CB ARG 23 -25.057 25.008 -3.390 1.00 41.11 ATOM 330 HB1 ARG 23 -26.138 24.976 -3.435 1.00 36.88 ATOM 331 HB2 ARG 23 -24.658 24.154 -3.920 1.00 0.14 ATOM 332 CG ARG 23 -24.571 26.270 -4.084 1.00 15.31 ATOM 333 HG1 ARG 23 -23.554 26.115 -4.414 1.00 36.88 ATOM 334 HG2 ARG 23 -24.601 27.101 -3.392 1.00 70.12 ATOM 335 CD ARG 23 -25.432 26.608 -5.292 1.00 24.03 ATOM 336 HD1 ARG 23 -25.781 25.688 -5.748 1.00 36.88 ATOM 337 HD2 ARG 23 -24.823 27.147 -6.004 1.00 3.43 ATOM 338 NE ARG 23 -26.577 27.440 -4.933 1.00 4.43 ATOM 339 HE ARG 23 -26.569 27.880 -4.051 1.00 41.14 ATOM 340 CZ ARG 23 -27.620 27.639 -5.731 1.00 3.03 ATOM 341 NH1 ARG 23 -27.662 27.068 -6.926 1.00 71.25 ATOM 342 HH11 ARG 23 -26.923 26.486 -7.254 1.00 64.54 ATOM 343 HH12 ARG 23 -28.456 27.222 -7.519 1.00 54.10 ATOM 344 NH2 ARG 23 -28.624 28.410 -5.333 1.00 3.11 ATOM 345 HH21 ARG 23 -28.598 28.844 -4.430 1.00 53.20 ATOM 346 HH22 ARG 23 -29.412 28.562 -5.934 1.00 50.11 ATOM 347 C ARG 23 -23.126 25.099 -1.802 1.00 41.04 ATOM 348 O ARG 23 -22.367 24.131 -1.852 1.00 4.10 ATOM 349 N ASP 24 -22.698 26.347 -1.645 1.00 60.32 ATOM 350 HN ASP 24 -23.349 27.084 -1.623 1.00 36.88 ATOM 351 CA ASP 24 -21.279 26.658 -1.518 1.00 10.12 ATOM 352 HA ASP 24 -20.742 26.127 -2.295 1.00 12.41 ATOM 353 CB ASP 24 -21.046 28.158 -1.702 1.00 3.41 ATOM 354 HB1 ASP 24 -21.423 28.456 -2.670 1.00 36.88 ATOM 355 HB2 ASP 24 -19.986 28.364 -1.657 1.00 15.21 ATOM 356 CG ASP 24 -21.741 28.987 -0.640 1.00 54.10 ATOM 357 OD1 ASP 24 -21.240 29.030 0.503 1.00 21.51 ATOM 358 OD2 ASP 24 -22.787 29.594 -0.952 1.00 41.03 ATOM 359 C ASP 24 -20.744 26.210 -0.161 1.00 51.31 ATOM 360 O ASP 24 -19.557 25.921 -0.017 1.00 21.12 ATOM 361 N GLU 25 -21.629 26.157 0.830 1.00 64.11 ATOM 362 HN GLU 25 -22.565 26.415 0.665 1.00 36.88 ATOM 363 CA GLU 25 -21.244 25.746 2.175 1.00 2.21 ATOM 364 HA GLU 25 -20.404 26.356 2.487 1.00 52.14 ATOM 365 CB GLU 25 -22.407 25.952 3.147 1.00 32.34 ATOM 366 HB1 GLU 25 -22.358 25.213 3.941 1.00 36.88 ATOM 367 HB2 GLU 25 -23.335 25.818 2.622 1.00 23.30 ATOM 368 CG GLU 25 -22.432 27.331 3.784 1.00 3.04 ATOM 369 HG1 GLU 25 -23.448 27.556 4.071 1.00 36.88 ATOM 370 HG2 GLU 25 -22.095 28.068 3.067 1.00 44.51 ATOM 371 CD GLU 25 -21.556 27.419 5.019 1.00 44.21 ATOM 372 OE1 GLU 25 -21.925 28.158 5.956 1.00 62.20 ATOM 373 OE2 GLU 25 -20.502 26.751 5.048 1.00 25.41 ATOM 374 C GLU 25 -20.804 24.285 2.193 1.00 42.21 ATOM 375 O GLU 25 -19.785 23.940 2.791 1.00 45.11 ATOM 376 N ARG 26 -21.580 23.431 1.533 1.00 11.55 ATOM 377 HN ARG 26 -22.392 23.764 1.080 1.00 36.88 ATOM 378 CA ARG 26 -21.272 22.008 1.475 1.00 73.43 ATOM 379 HA ARG 26 -21.309 21.615 2.474 1.00 32.23 ATOM 380 CB ARG 26 -22.291 21.280 0.595 1.00 24.11 ATOM 381 HB1 ARG 26 -21.896 20.312 0.305 1.00 36.88 ATOM 382 HB2 ARG 26 -22.461 21.865 -0.298 1.00 75.25 ATOM 383 CG ARG 26 -23.632 21.056 1.274 1.00 51.31 ATOM 384 HG1 ARG 26 -24.319 20.633 0.560 1.00 36.88 ATOM 385 HG2 ARG 26 -24.014 22.008 1.616 1.00 22.12 ATOM 386 CD ARG 26 -23.504 20.123 2.467 1.00 22.24 ATOM 387 HD1 ARG 26 -23.040 20.665 3.277 1.00 36.88 ATOM 388 HD2 ARG 26 -22.880 19.277 2.204 1.00 25.43 ATOM 389 NE ARG 26 -24.803 19.636 2.924 1.00 41.13 ATOM 390 HE ARG 26 -25.144 19.991 3.774 1.00 73.43 ATOM 391 CZ ARG 26 -25.532 18.751 2.254 1.00 34.42 ATOM 392 NH1 ARG 26 -25.092 18.257 1.105 1.00 11.21 ATOM 393 HH11 ARG 26 -24.215 18.522 0.719 1.00 24.34 ATOM 394 HH12 ARG 26 -25.657 17.596 0.606 1.00 21.45 ATOM 395 NH2 ARG 26 -26.705 18.356 2.734 1.00 1.44 ATOM 396 HH21 ARG 26 -27.044 18.724 3.602 1.00 70.14 ATOM 397 HH22 ARG 26 -27.257 17.688 2.230 1.00 52.21 ATOM 398 C ARG 26 -19.863 21.778 0.936 1.00 31.24 ATOM 399 O ARG 26 -19.149 20.887 1.398 1.00 53.31 ATOM 400 N ARG 27 -19.470 22.586 -0.042 1.00 41.52 ATOM 401 HN ARG 27 -20.079 23.292 -0.358 1.00 36.88 ATOM 402 CA ARG 27 -18.147 22.470 -0.644 1.00 52.24 ATOM 403 HA ARG 27 -17.984 21.434 -0.912 1.00 42.45 ATOM 404 CB ARG 27 -18.064 23.322 -1.912 1.00 50.13 ATOM 405 HB1 ARG 27 -17.153 23.069 -2.408 1.00 36.88 ATOM 406 HB2 ARG 27 -18.050 24.371 -1.648 1.00 3.30 ATOM 407 CG ARG 27 -19.213 23.089 -2.879 1.00 73.12 ATOM 408 HG1 ARG 27 -20.091 23.585 -2.503 1.00 36.88 ATOM 409 HG2 ARG 27 -19.404 22.028 -2.963 1.00 51.34 ATOM 410 CD ARG 27 -18.897 23.636 -4.262 1.00 72.15 ATOM 411 HD1 ARG 27 -17.972 23.197 -4.613 1.00 36.88 ATOM 412 HD2 ARG 27 -18.777 24.706 -4.173 1.00 25.34 ATOM 413 NE ARG 27 -19.957 23.340 -5.223 1.00 44.22 ATOM 414 HE ARG 27 -20.575 22.601 -5.015 1.00 32.10 ATOM 415 CZ ARG 27 -20.126 24.008 -6.359 1.00 12.11 ATOM 416 NH1 ARG 27 -19.310 25.004 -6.674 1.00 41.13 ATOM 417 HH11 ARG 27 -18.557 25.273 -6.080 1.00 53.15 ATOM 418 HH12 ARG 27 -19.450 25.503 -7.532 1.00 30.43 ATOM 419 NH2 ARG 27 -21.114 23.680 -7.182 1.00 63.41 ATOM 420 HH21 ARG 27 -21.735 22.928 -6.949 1.00 1.23 ATOM 421 HH22 ARG 27 -21.244 24.182 -8.039 1.00 64.22 ATOM 422 C ARG 27 -17.062 22.897 0.340 1.00 32.21 ATOM 423 O ARG 27 -15.926 22.430 0.267 1.00 1.22 ATOM 424 N ALA 28 -17.421 23.787 1.259 1.00 34.35 ATOM 425 HN ALA 28 -18.329 24.150 1.255 1.00 36.88 ATOM 426 CA ALA 28 -16.480 24.275 2.259 1.00 44.10 ATOM 427 HA ALA 28 -15.546 24.516 1.764 1.00 40.01 ATOM 428 CB ALA 28 -17.005 25.550 2.901 1.00 13.30 ATOM 429 HB1 ALA 28 -16.242 25.975 3.537 1.00 73.41 ATOM 430 HB2 ALA 28 -17.885 25.337 3.489 1.00 11.20 ATOM 431 HB3 ALA 28 -17.257 26.254 2.126 1.00 50.20 ATOM 432 C ALA 28 -16.211 23.217 3.323 1.00 23.43 ATOM 433 O ALA 28 -15.075 22.775 3.501 1.00 23.22 ATOM 434 N LEU 29 -17.262 22.814 4.029 1.00 5.13 ATOM 435 HN LEU 29 -18.136 23.230 3.853 1.00 36.88 ATOM 436 CA LEU 29 -17.139 21.807 5.078 1.00 43.14 ATOM 437 HA LEU 29 -16.457 22.184 5.828 1.00 21.41 ATOM 438 CB LEU 29 -18.499 21.553 5.730 1.00 3.42 ATOM 439 HB1 LEU 29 -18.692 22.392 6.386 1.00 36.88 ATOM 440 HB2 LEU 29 -18.418 20.668 6.356 1.00 62.02 ATOM 441 CG LEU 29 -19.682 21.395 4.775 1.00 14.13 ATOM 442 HG LEU 29 -19.366 21.537 3.754 1.00 65.22 ATOM 443 CD1 LEU 29 -20.258 19.991 4.867 1.00 32.51 ATOM 444 HD11 LEU 29 -21.078 19.889 4.170 1.00 32.12 ATOM 445 HD12 LEU 29 -20.616 19.807 5.871 1.00 72.43 ATOM 446 HD13 LEU 29 -19.492 19.268 4.622 1.00 14.13 ATOM 447 CD2 LEU 29 -20.753 22.433 5.077 1.00 54.33 ATOM 448 HD21 LEU 29 -21.156 22.258 6.066 1.00 41.31 ATOM 449 HD22 LEU 29 -21.548 22.364 4.354 1.00 11.21 ATOM 450 HD23 LEU 29 -20.324 23.423 5.044 1.00 62.41 ATOM 451 C LEU 29 -16.580 20.503 4.517 1.00 3.23 ATOM 452 O LEU 29 -15.915 19.747 5.225 1.00 71.34 ATOM 453 N ALA 30 -16.852 20.248 3.242 1.00 51.32 ATOM 454 HN ALA 30 -17.417 20.868 2.727 1.00 36.88 ATOM 455 CA ALA 30 -16.373 19.038 2.585 1.00 2.33 ATOM 456 HA ALA 30 -16.696 18.184 3.167 1.00 4.03 ATOM 457 CB ALA 30 -16.983 18.914 1.197 1.00 10.01 ATOM 458 HB1 ALA 30 -18.044 18.739 1.288 1.00 41.31 ATOM 459 HB2 ALA 30 -16.532 18.085 0.667 1.00 11.21 ATOM 460 HB3 ALA 30 -16.815 19.828 0.647 1.00 75.52 ATOM 461 C ALA 30 -14.850 19.027 2.499 1.00 34.20 ATOM 462 O ALA 30 -14.221 17.975 2.607 1.00 33.32 ATOM 463 N MET 31 -14.265 20.204 2.303 1.00 64.51 ATOM 464 HN MET 31 -14.813 21.019 2.220 1.00 36.88 ATOM 465 CA MET 31 -12.815 20.328 2.203 1.00 70.24 ATOM 466 HA MET 31 -12.400 19.375 1.907 1.00 64.34 ATOM 467 CB MET 31 -12.443 21.382 1.158 1.00 12.23 ATOM 468 HB1 MET 31 -11.385 21.599 1.223 1.00 36.88 ATOM 469 HB2 MET 31 -12.994 22.286 1.374 1.00 30.31 ATOM 470 CG MET 31 -12.768 20.966 -0.267 1.00 44.33 ATOM 471 HG1 MET 31 -12.560 21.793 -0.919 1.00 36.88 ATOM 472 HG2 MET 31 -13.812 20.704 -0.335 1.00 41.13 ATOM 473 SD MET 31 -11.776 19.567 -0.825 1.00 53.54 ATOM 474 CE MET 31 -10.136 20.287 -0.811 1.00 13.41 ATOM 475 HE1 MET 31 -9.694 20.182 -1.787 1.00 25.22 ATOM 476 HE2 MET 31 -9.525 19.771 -0.085 1.00 51.24 ATOM 477 HE3 MET 31 -10.196 21.328 -0.551 1.00 72.22 ATOM 478 C MET 31 -12.206 20.695 3.552 1.00 12.02 ATOM 479 O MET 31 -10.985 20.727 3.706 1.00 31.31 ATOM 480 N LYS 32 -13.065 20.972 4.528 1.00 43.43 ATOM 481 HN LYS 32 -14.021 20.956 4.365 1.00 36.88 ATOM 482 CA LYS 32 -12.612 21.337 5.865 1.00 32.30 ATOM 483 HA LYS 32 -13.485 21.471 6.486 1.00 72.44 ATOM 484 CB LYS 32 -11.748 20.220 6.455 1.00 2.21 ATOM 485 HB1 LYS 32 -11.593 20.433 7.504 1.00 36.88 ATOM 486 HB2 LYS 32 -10.787 20.198 5.961 1.00 21.02 ATOM 487 CG LYS 32 -12.373 18.841 6.338 1.00 22.22 ATOM 488 HG1 LYS 32 -12.449 18.577 5.293 1.00 36.88 ATOM 489 HG2 LYS 32 -13.361 18.877 6.772 1.00 12.33 ATOM 490 CD LYS 32 -11.540 17.789 7.051 1.00 65.10 ATOM 491 HD1 LYS 32 -11.210 18.175 8.008 1.00 36.88 ATOM 492 HD2 LYS 32 -10.681 17.552 6.443 1.00 63.52 ATOM 493 CE LYS 32 -12.336 16.516 7.292 1.00 73.11 ATOM 494 HE1 LYS 32 -11.666 15.759 7.674 1.00 36.88 ATOM 495 HE2 LYS 32 -12.760 16.177 6.356 1.00 3.31 ATOM 496 NZ LYS 32 -13.434 16.727 8.276 1.00 72.43 ATOM 497 HZ1 LYS 32 -13.861 15.813 8.527 1.00 30.23 ATOM 498 HZ2 LYS 32 -14.172 17.334 7.871 1.00 74.30 ATOM 499 HZ3 LYS 32 -13.069 17.173 9.145 1.00 55.23 ATOM 500 C LYS 32 -11.824 22.643 5.836 1.00 34.50 ATOM 501 O LYS 32 -10.640 22.671 6.172 1.00 12.23 ATOM 502 N ILE 33 -12.489 23.720 5.434 1.00 52.41 ATOM 503 HN ILE 33 -13.441 23.638 5.187 1.00 36.88 ATOM 504 CA ILE 33 -11.851 25.029 5.364 1.00 10.01 ATOM 505 HA ILE 33 -10.849 24.873 5.002 1.00 60.41 ATOM 506 CB ILE 33 -12.581 25.959 4.378 1.00 40.55 ATOM 507 HB ILE 33 -13.586 26.124 4.741 1.00 45.40 ATOM 508 CG1 ILE 33 -12.655 25.313 2.993 1.00 41.13 ATOM 509 HG11 ILE 33 -13.222 25.956 2.334 1.00 36.88 ATOM 510 HG12 ILE 33 -13.154 24.357 3.063 1.00 4.22 ATOM 511 CG2 ILE 33 -11.879 27.307 4.302 1.00 1.13 ATOM 512 HG21 ILE 33 -10.869 27.187 3.954 1.00 15.30 ATOM 513 HG22 ILE 33 -11.867 27.765 5.261 1.00 41.15 ATOM 514 HG23 ILE 33 -12.413 27.950 3.616 1.00 1.21 ATOM 515 CD1 ILE 33 -11.300 25.085 2.359 1.00 34.13 ATOM 516 HD11 ILE 33 -10.805 26.028 2.192 1.00 33.43 ATOM 517 HD12 ILE 33 -11.437 24.589 1.410 1.00 63.42 ATOM 518 HD13 ILE 33 -10.691 24.463 2.992 1.00 45.23 ATOM 519 C ILE 33 -11.809 25.694 6.736 1.00 64.21 ATOM 520 O ILE 33 -12.800 25.735 7.464 1.00 33.33 ATOM 521 N PRO 34 -10.633 26.229 7.098 1.00 54.53 ATOM 522 CA PRO 34 -10.434 26.905 8.383 1.00 24.13 ATOM 523 HA PRO 34 -10.734 26.279 9.211 1.00 24.41 ATOM 524 CB PRO 34 -8.921 27.132 8.433 1.00 3.41 ATOM 525 HB1 PRO 34 -8.455 26.311 8.956 1.00 36.88 ATOM 526 HB2 PRO 34 -8.686 28.060 8.940 1.00 32.05 ATOM 527 CG PRO 34 -8.495 27.165 7.006 1.00 54.43 ATOM 528 HG1 PRO 34 -7.472 26.830 6.922 1.00 36.88 ATOM 529 HG2 PRO 34 -8.593 28.152 6.622 1.00 12.04 ATOM 530 CD PRO 34 -9.409 26.218 6.279 1.00 32.53 ATOM 531 HD1 PRO 34 -8.976 25.229 6.250 1.00 36.88 ATOM 532 HD2 PRO 34 -9.582 26.576 5.289 1.00 53.02 ATOM 533 C PRO 34 -11.175 28.235 8.461 1.00 51.03 ATOM 534 O PRO 34 -11.757 28.574 9.492 1.00 62.14 ATOM 535 N PHE 35 -11.151 28.985 7.364 1.00 0.31 ATOM 536 HN PHE 35 -10.707 28.646 6.571 1.00 36.88 ATOM 537 CA PHE 35 -11.821 30.279 7.308 1.00 1.44 ATOM 538 HA PHE 35 -11.942 30.639 8.322 1.00 0.22 ATOM 539 CB PHE 35 -10.963 31.289 6.542 1.00 33.15 ATOM 540 HB1 PHE 35 -10.100 31.535 7.147 1.00 36.88 ATOM 541 HB2 PHE 35 -11.527 32.195 6.367 1.00 41.12 ATOM 542 CG PHE 35 -10.477 30.778 5.217 1.00 44.14 ATOM 543 CD1 PHE 35 -9.236 30.170 5.106 1.00 14.04 ATOM 544 HD1 PHE 35 -8.611 30.073 5.981 1.00 24.34 ATOM 545 CD2 PHE 35 -11.259 30.905 4.080 1.00 14.35 ATOM 546 HD2 PHE 35 -12.227 31.377 4.149 1.00 42.11 ATOM 547 CE1 PHE 35 -8.786 29.700 3.887 1.00 20.13 ATOM 548 HE1 PHE 35 -7.819 29.229 3.819 1.00 43.43 ATOM 549 CE2 PHE 35 -10.814 30.437 2.859 1.00 74.34 ATOM 550 HE2 PHE 35 -11.427 30.537 1.985 1.00 31.12 ATOM 551 CZ PHE 35 -9.576 29.832 2.762 1.00 13.23 ATOM 552 HZ PHE 35 -9.226 29.467 1.809 1.00 55.02 ATOM 553 C PHE 35 -13.191 30.155 6.648 1.00 21.42 ATOM 554 O PHE 35 -13.450 29.239 5.867 1.00 54.34 ATOM 555 N PRO 36 -14.090 31.097 6.970 1.00 71.54 ATOM 556 CA PRO 36 -15.449 31.115 6.420 1.00 63.45 ATOM 557 HA PRO 36 -15.950 30.169 6.578 1.00 25.13 ATOM 558 CB PRO 36 -16.147 32.206 7.235 1.00 41.04 ATOM 559 HB1 PRO 36 -16.649 31.755 8.078 1.00 36.88 ATOM 560 HB2 PRO 36 -16.870 32.738 6.629 1.00 62.42 ATOM 561 CG PRO 36 -15.047 33.103 7.688 1.00 62.42 ATOM 562 HG1 PRO 36 -15.321 33.584 8.615 1.00 36.88 ATOM 563 HG2 PRO 36 -14.845 33.832 6.933 1.00 1.24 ATOM 564 CD PRO 36 -13.849 32.217 7.894 1.00 34.14 ATOM 565 HD1 PRO 36 -13.809 31.871 8.917 1.00 36.88 ATOM 566 HD2 PRO 36 -12.954 32.754 7.645 1.00 51.43 ATOM 567 C PRO 36 -15.469 31.463 4.935 1.00 4.22 ATOM 568 O PRO 36 -14.550 32.106 4.425 1.00 73.21 ATOM 569 N THR 37 -16.522 31.036 4.246 1.00 62.25 ATOM 570 HN THR 37 -17.233 30.534 4.712 1.00 36.88 ATOM 571 CA THR 37 -16.661 31.302 2.819 1.00 2.24 ATOM 572 HA THR 37 -15.725 31.078 2.344 1.00 23.31 ATOM 573 CB THR 37 -17.748 30.414 2.186 1.00 54.55 ATOM 574 HB THR 37 -17.784 30.611 1.122 1.00 41.14 ATOM 575 OG1 THR 37 -19.024 30.716 2.762 1.00 52.14 ATOM 576 HG1 THR 37 -19.721 30.480 2.145 1.00 4.15 ATOM 577 CG2 THR 37 -17.430 28.941 2.389 1.00 73.25 ATOM 578 HG21 THR 37 -18.199 28.342 1.924 1.00 15.21 ATOM 579 HG22 THR 37 -17.394 28.719 3.446 1.00 45.30 ATOM 580 HG23 THR 37 -16.475 28.710 1.939 1.00 35.02 ATOM 581 C THR 37 -17.003 32.766 2.564 1.00 21.43 ATOM 582 O THR 37 -16.512 33.371 1.611 1.00 21.31 ATOM 583 N ASP 38 -17.847 33.329 3.422 1.00 42.14 ATOM 584 HN ASP 38 -18.226 32.791 4.157 1.00 36.88 ATOM 585 CA ASP 38 -18.253 34.723 3.290 1.00 53.42 ATOM 586 HA ASP 38 -18.791 34.828 2.357 1.00 23.11 ATOM 587 CB ASP 38 -19.168 35.122 4.449 1.00 2.01 ATOM 588 HB1 ASP 38 -19.268 36.201 4.481 1.00 36.88 ATOM 589 HB2 ASP 38 -18.734 34.780 5.377 1.00 54.14 ATOM 590 CG ASP 38 -20.557 34.528 4.322 1.00 63.14 ATOM 591 OD1 ASP 38 -21.106 34.075 5.348 1.00 5.43 ATOM 592 OD2 ASP 38 -21.095 34.516 3.195 1.00 14.12 ATOM 593 C ASP 38 -17.036 35.642 3.246 1.00 14.43 ATOM 594 O ASP 38 -17.046 36.671 2.570 1.00 5.32 ATOM 595 N LYS 39 -15.990 35.265 3.973 1.00 31.20 ATOM 596 HN LYS 39 -16.041 34.443 4.514 1.00 36.88 ATOM 597 CA LYS 39 -14.765 36.054 4.018 1.00 23.23 ATOM 598 HA LYS 39 -15.026 37.079 4.223 1.00 45.34 ATOM 599 CB LYS 39 -13.854 35.555 5.143 1.00 50.24 ATOM 600 HB1 LYS 39 -13.619 34.513 4.975 1.00 36.88 ATOM 601 HB2 LYS 39 -14.394 35.651 6.074 1.00 64.45 ATOM 602 CG LYS 39 -12.554 36.331 5.262 1.00 42.34 ATOM 603 HG1 LYS 39 -12.760 37.386 5.188 1.00 36.88 ATOM 604 HG2 LYS 39 -11.919 36.027 4.449 1.00 15.52 ATOM 605 CD LYS 39 -11.838 36.024 6.566 1.00 14.14 ATOM 606 HD1 LYS 39 -10.773 36.052 6.386 1.00 36.88 ATOM 607 HD2 LYS 39 -12.113 35.039 6.922 1.00 11.20 ATOM 608 CE LYS 39 -12.174 37.048 7.640 1.00 24.12 ATOM 609 HE1 LYS 39 -11.801 36.686 8.587 1.00 36.88 ATOM 610 HE2 LYS 39 -13.248 37.165 7.702 1.00 4.12 ATOM 611 NZ LYS 39 -11.556 38.373 7.356 1.00 64.51 ATOM 612 HZ1 LYS 39 -11.746 39.026 8.143 1.00 65.44 ATOM 613 HZ2 LYS 39 -11.950 38.781 6.486 1.00 5.41 ATOM 614 HZ3 LYS 39 -10.524 38.278 7.246 1.00 30.35 ATOM 615 C LYS 39 -14.026 35.989 2.685 1.00 33.02 ATOM 616 O LYS 39 -13.278 36.902 2.335 1.00 52.14 ATOM 617 N ILE 40 -14.242 34.906 1.946 1.00 34.04 ATOM 618 HN ILE 40 -14.840 34.210 2.274 1.00 36.88 ATOM 619 CA ILE 40 -13.599 34.725 0.651 1.00 31.31 ATOM 620 HA ILE 40 -12.529 34.840 0.785 1.00 64.14 ATOM 621 CB ILE 40 -13.866 33.319 0.082 1.00 60.32 ATOM 622 HB ILE 40 -14.927 33.204 -0.065 1.00 34.12 ATOM 623 CG1 ILE 40 -13.373 32.248 1.057 1.00 31.22 ATOM 624 HG11 ILE 40 -13.789 32.423 2.038 1.00 36.88 ATOM 625 HG12 ILE 40 -12.297 32.293 1.121 1.00 13.03 ATOM 626 CG2 ILE 40 -13.192 33.159 -1.273 1.00 55.20 ATOM 627 HG21 ILE 40 -12.593 32.262 -1.309 1.00 51.23 ATOM 628 HG22 ILE 40 -12.562 33.999 -1.496 1.00 32.32 ATOM 629 HG23 ILE 40 -13.960 33.089 -2.026 1.00 65.34 ATOM 630 CD1 ILE 40 -13.756 30.841 0.654 1.00 15.13 ATOM 631 HD11 ILE 40 -14.812 30.800 0.428 1.00 21.15 ATOM 632 HD12 ILE 40 -13.540 30.164 1.467 1.00 73.21 ATOM 633 HD13 ILE 40 -13.195 30.545 -0.215 1.00 34.21 ATOM 634 C ILE 40 -14.081 35.767 -0.353 1.00 25.05 ATOM 635 O ILE 40 -13.321 36.214 -1.212 1.00 72.24 ATOM 636 N VAL 41 -15.347 36.152 -0.236 1.00 15.02 ATOM 637 HN VAL 41 -15.922 35.752 0.457 1.00 36.88 ATOM 638 CA VAL 41 -15.930 37.145 -1.131 1.00 34.52 ATOM 639 HA VAL 41 -15.334 37.195 -2.038 1.00 72.24 ATOM 640 CB VAL 41 -17.368 36.763 -1.532 1.00 2.34 ATOM 641 HB VAL 41 -18.008 36.852 -0.663 1.00 2.52 ATOM 642 CG1 VAL 41 -17.891 37.707 -2.604 1.00 35.13 ATOM 643 HG11 VAL 41 -17.218 37.708 -3.450 1.00 44.41 ATOM 644 HG12 VAL 41 -17.972 38.707 -2.207 1.00 53.43 ATOM 645 HG13 VAL 41 -18.870 37.380 -2.930 1.00 60.12 ATOM 646 CG2 VAL 41 -17.423 35.320 -2.008 1.00 23.55 ATOM 647 HG21 VAL 41 -16.754 35.187 -2.846 1.00 73.54 ATOM 648 HG22 VAL 41 -18.432 35.077 -2.314 1.00 54.01 ATOM 649 HG23 VAL 41 -17.131 34.659 -1.206 1.00 42.24 ATOM 650 C VAL 41 -15.944 38.526 -0.486 1.00 23.23 ATOM 651 O VAL 41 -15.896 39.544 -1.174 1.00 63.03 ATOM 652 N ASN 42 -16.009 38.552 0.842 1.00 42.34 ATOM 653 HN ASN 42 -16.059 37.710 1.347 1.00 36.88 ATOM 654 CA ASN 42 -16.028 39.809 1.581 1.00 54.32 ATOM 655 HA ASN 42 -16.777 40.454 1.134 1.00 1.14 ATOM 656 CB ASN 42 -16.387 39.557 3.047 1.00 52.43 ATOM 657 HB1 ASN 42 -15.935 40.320 3.670 1.00 36.88 ATOM 658 HB2 ASN 42 -16.015 38.602 3.354 1.00 22.24 ATOM 659 CG ASN 42 -17.883 39.598 3.291 1.00 74.21 ATOM 660 OD1 ASN 42 -18.353 40.241 4.229 1.00 12.43 ATOM 661 ND2 ASN 42 -18.640 38.908 2.445 1.00 44.22 ATOM 662 HD21 ASN 42 -18.230 38.402 1.718 1.00 34.34 ATOM 663 HD22 ASN 42 -19.609 38.935 2.588 1.00 73.50 ATOM 664 C ASN 42 -14.679 40.515 1.490 1.00 22.11 ATOM 665 O ASN 42 -14.611 41.720 1.246 1.00 11.41 ATOM 666 N LEU 43 -13.606 39.756 1.687 1.00 14.23 ATOM 667 HN LEU 43 -13.721 38.795 1.883 1.00 36.88 ATOM 668 CA LEU 43 -12.257 40.308 1.627 1.00 32.21 ATOM 669 HA LEU 43 -12.234 41.157 2.290 1.00 60.43 ATOM 670 CB LEU 43 -11.237 39.263 2.084 1.00 51.41 ATOM 671 HB1 LEU 43 -10.275 39.486 1.640 1.00 36.88 ATOM 672 HB2 LEU 43 -11.551 38.305 1.700 1.00 23.34 ATOM 673 CG LEU 43 -11.036 39.138 3.594 1.00 23.35 ATOM 674 HG LEU 43 -11.992 38.966 4.060 1.00 1.13 ATOM 675 CD1 LEU 43 -10.130 37.959 3.916 1.00 44.41 ATOM 676 HD11 LEU 43 -10.123 37.793 4.983 1.00 41.43 ATOM 677 HD12 LEU 43 -9.123 38.169 3.579 1.00 44.33 ATOM 678 HD13 LEU 43 -10.490 37.072 3.417 1.00 0.14 ATOM 679 CD2 LEU 43 -10.461 40.426 4.165 1.00 50.10 ATOM 680 HD21 LEU 43 -9.484 40.609 3.742 1.00 14.20 ATOM 681 HD22 LEU 43 -10.368 40.330 5.238 1.00 52.30 ATOM 682 HD23 LEU 43 -11.111 41.257 3.945 1.00 0.01 ATOM 683 C LEU 43 -11.923 40.778 0.215 1.00 75.41 ATOM 684 O LEU 43 -12.535 40.356 -0.767 1.00 32.11 ATOM 685 N PRO 44 -10.928 41.670 0.108 1.00 53.54 ATOM 686 CA PRO 44 -10.489 42.215 -1.180 1.00 64.25 ATOM 687 HA PRO 44 -11.315 42.634 -1.736 1.00 12.45 ATOM 688 CB PRO 44 -9.519 43.331 -0.782 1.00 35.42 ATOM 689 HB1 PRO 44 -10.054 44.267 -0.733 1.00 36.88 ATOM 690 HB2 PRO 44 -8.711 43.415 -1.499 1.00 44.33 ATOM 691 CG PRO 44 -9.017 42.933 0.563 1.00 0.22 ATOM 692 HG1 PRO 44 -8.729 43.806 1.129 1.00 36.88 ATOM 693 HG2 PRO 44 -8.193 42.283 0.429 1.00 2.14 ATOM 694 CD PRO 44 -10.155 42.217 1.236 1.00 74.04 ATOM 695 HD1 PRO 44 -10.750 42.909 1.813 1.00 36.88 ATOM 696 HD2 PRO 44 -9.769 41.450 1.855 1.00 32.53 ATOM 697 C PRO 44 -9.778 41.173 -2.038 1.00 2.12 ATOM 698 O PRO 44 -9.510 40.060 -1.585 1.00 61.02 ATOM 699 N VAL 45 -9.474 41.542 -3.278 1.00 73.54 ATOM 700 HN VAL 45 -9.721 42.446 -3.583 1.00 36.88 ATOM 701 CA VAL 45 -8.793 40.639 -4.199 1.00 2.22 ATOM 702 HA VAL 45 -9.318 39.689 -4.190 1.00 42.45 ATOM 703 CB VAL 45 -8.810 41.187 -5.638 1.00 50.40 ATOM 704 HB VAL 45 -9.831 41.424 -5.900 1.00 61.52 ATOM 705 CG1 VAL 45 -7.986 42.462 -5.734 1.00 1.31 ATOM 706 HG11 VAL 45 -8.140 42.907 -6.706 1.00 2.22 ATOM 707 HG12 VAL 45 -6.934 42.242 -5.613 1.00 31.22 ATOM 708 HG13 VAL 45 -8.295 43.164 -4.973 1.00 63.23 ATOM 709 CG2 VAL 45 -8.299 40.138 -6.614 1.00 30.14 ATOM 710 HG21 VAL 45 -8.426 40.500 -7.624 1.00 20.43 ATOM 711 HG22 VAL 45 -8.861 39.222 -6.494 1.00 40.21 ATOM 712 HG23 VAL 45 -7.251 39.942 -6.437 1.00 73.45 ATOM 713 C VAL 45 -7.348 40.407 -3.772 1.00 43.31 ATOM 714 O VAL 45 -6.752 39.379 -4.094 1.00 31.15 ATOM 715 N ASP 46 -6.790 41.370 -3.046 1.00 65.41 ATOM 716 HN ASP 46 -7.309 42.175 -2.820 1.00 36.88 ATOM 717 CA ASP 46 -5.414 41.270 -2.573 1.00 44.21 ATOM 718 HA ASP 46 -4.819 40.833 -3.366 1.00 61.42 ATOM 719 CB ASP 46 -4.872 42.656 -2.220 1.00 42.21 ATOM 720 HB1 ASP 46 -4.330 42.617 -1.282 1.00 36.88 ATOM 721 HB2 ASP 46 -5.689 43.356 -2.116 1.00 24.43 ATOM 722 CG ASP 46 -3.924 43.193 -3.275 1.00 14.42 ATOM 723 OD1 ASP 46 -3.945 44.417 -3.523 1.00 35.13 ATOM 724 OD2 ASP 46 -3.163 42.390 -3.853 1.00 44.00 ATOM 725 C ASP 46 -5.321 40.350 -1.360 1.00 12.11 ATOM 726 O ASP 46 -4.656 39.315 -1.403 1.00 31.13 ATOM 727 N ASP 47 -5.991 40.735 -0.280 1.00 14.15 ATOM 728 HN ASP 47 -6.496 41.576 -0.309 1.00 36.88 ATOM 729 CA ASP 47 -5.985 39.945 0.946 1.00 31.12 ATOM 730 HA ASP 47 -4.983 39.967 1.352 1.00 61.24 ATOM 731 CB ASP 47 -6.951 40.544 1.969 1.00 11.05 ATOM 732 HB1 ASP 47 -6.961 39.924 2.856 1.00 36.88 ATOM 733 HB2 ASP 47 -7.938 40.568 1.549 1.00 35.54 ATOM 734 CG ASP 47 -6.558 41.948 2.384 1.00 40.42 ATOM 735 OD1 ASP 47 -7.321 42.578 3.147 1.00 64.40 ATOM 736 OD2 ASP 47 -5.487 42.418 1.946 1.00 72.14 ATOM 737 C ASP 47 -6.363 38.495 0.660 1.00 63.11 ATOM 738 O ASP 47 -5.832 37.571 1.276 1.00 25.21 ATOM 739 N PHE 48 -7.284 38.303 -0.278 1.00 72.02 ATOM 740 HN PHE 48 -7.692 39.080 -0.728 1.00 36.88 ATOM 741 CA PHE 48 -7.735 36.965 -0.645 1.00 2.41 ATOM 742 HA PHE 48 -8.111 36.479 0.246 1.00 31.53 ATOM 743 CB PHE 48 -8.865 37.049 -1.673 1.00 61.01 ATOM 744 HB1 PHE 48 -8.556 37.702 -2.479 1.00 36.88 ATOM 745 HB2 PHE 48 -9.739 37.469 -1.195 1.00 60.20 ATOM 746 CG PHE 48 -9.252 35.716 -2.248 1.00 14.44 ATOM 747 CD1 PHE 48 -9.144 35.475 -3.608 1.00 3.34 ATOM 748 HD1 PHE 48 -8.775 36.254 -4.261 1.00 14.42 ATOM 749 CD2 PHE 48 -9.726 34.705 -1.427 1.00 61.14 ATOM 750 HD2 PHE 48 -9.816 34.878 -0.363 1.00 14.44 ATOM 751 CE1 PHE 48 -9.499 34.250 -4.139 1.00 70.05 ATOM 752 HE1 PHE 48 -9.410 34.075 -5.201 1.00 21.15 ATOM 753 CE2 PHE 48 -10.082 33.478 -1.953 1.00 73.44 ATOM 754 HE2 PHE 48 -10.454 32.717 -1.300 1.00 25.42 ATOM 755 CZ PHE 48 -9.970 33.250 -3.311 1.00 40.22 ATOM 756 HZ PHE 48 -10.246 32.293 -3.724 1.00 45.15 ATOM 757 C PHE 48 -6.582 36.138 -1.206 1.00 30.23 ATOM 758 O PHE 48 -6.314 35.032 -0.739 1.00 24.21 ATOM 759 N ASN 49 -5.904 36.683 -2.211 1.00 33.22 ATOM 760 HN ASN 49 -6.169 37.574 -2.544 1.00 36.88 ATOM 761 CA ASN 49 -4.781 35.995 -2.837 1.00 1.11 ATOM 762 HA ASN 49 -5.164 35.111 -3.329 1.00 64.24 ATOM 763 CB ASN 49 -4.112 36.903 -3.870 1.00 42.54 ATOM 764 HB1 ASN 49 -3.131 36.514 -4.117 1.00 36.88 ATOM 765 HB2 ASN 49 -4.001 37.893 -3.450 1.00 32.24 ATOM 766 CG ASN 49 -4.910 37.003 -5.156 1.00 33.02 ATOM 767 OD1 ASN 49 -5.519 36.029 -5.599 1.00 24.43 ATOM 768 ND2 ASN 49 -4.911 38.185 -5.762 1.00 33.35 ATOM 769 HD21 ASN 49 -4.407 38.929 -5.362 1.00 51.11 ATOM 770 HD22 ASN 49 -5.421 38.270 -6.594 1.00 40.20 ATOM 771 C ASN 49 -3.760 35.557 -1.791 1.00 41.42 ATOM 772 O ASN 49 -3.103 34.528 -1.944 1.00 40.32 ATOM 773 N GLU 50 -3.633 36.347 -0.729 1.00 34.42 ATOM 774 HN GLU 50 -4.162 37.175 -0.664 1.00 36.88 ATOM 775 CA GLU 50 -2.692 36.040 0.342 1.00 51.01 ATOM 776 HA GLU 50 -1.818 35.562 -0.090 1.00 74.23 ATOM 777 CB GLU 50 -2.252 37.324 1.048 1.00 53.43 ATOM 778 HB1 GLU 50 -1.799 37.078 2.003 1.00 36.88 ATOM 779 HB2 GLU 50 -3.126 37.934 1.230 1.00 45.00 ATOM 780 CG GLU 50 -1.263 38.152 0.244 1.00 14.33 ATOM 781 HG1 GLU 50 -1.338 39.180 0.567 1.00 36.88 ATOM 782 HG2 GLU 50 -1.511 38.093 -0.808 1.00 5.41 ATOM 783 CD GLU 50 0.170 37.696 0.435 1.00 1.25 ATOM 784 OE1 GLU 50 0.815 37.329 -0.568 1.00 44.14 ATOM 785 OE2 GLU 50 0.646 37.707 1.590 1.00 24.10 ATOM 786 C GLU 50 -3.311 35.078 1.352 1.00 54.21 ATOM 787 O GLU 50 -2.604 34.336 2.034 1.00 62.52 ATOM 788 N LEU 51 -4.637 35.098 1.443 1.00 64.33 ATOM 789 HN LEU 51 -5.149 35.740 0.916 1.00 36.88 ATOM 790 CA LEU 51 -5.353 34.228 2.369 1.00 1.25 ATOM 791 HA LEU 51 -4.957 34.390 3.358 1.00 1.33 ATOM 792 CB LEU 51 -6.842 34.580 2.382 1.00 24.43 ATOM 793 HB1 LEU 51 -7.224 34.430 1.382 1.00 36.88 ATOM 794 HB2 LEU 51 -6.937 35.632 2.620 1.00 4.10 ATOM 795 CG LEU 51 -7.712 33.778 3.351 1.00 10.40 ATOM 796 HG LEU 51 -7.491 32.727 3.259 1.00 62.45 ATOM 797 CD1 LEU 51 -7.428 34.188 4.788 1.00 40.12 ATOM 798 HD11 LEU 51 -8.036 33.598 5.461 1.00 13.20 ATOM 799 HD12 LEU 51 -7.659 35.236 4.922 1.00 44.34 ATOM 800 HD13 LEU 51 -6.384 34.019 5.013 1.00 15.31 ATOM 801 CD2 LEU 51 -9.186 33.965 3.023 1.00 51.23 ATOM 802 HD21 LEU 51 -9.375 33.643 2.008 1.00 24.03 ATOM 803 HD22 LEU 51 -9.454 35.008 3.124 1.00 14.11 ATOM 804 HD23 LEU 51 -9.786 33.374 3.701 1.00 71.44 ATOM 805 C LEU 51 -5.168 32.762 1.993 1.00 32.53 ATOM 806 O LEU 51 -5.254 31.876 2.845 1.00 65.52 ATOM 807 N LEU 52 -4.913 32.512 0.714 1.00 42.12 ATOM 808 HN LEU 52 -4.880 33.252 0.066 1.00 36.88 ATOM 809 CA LEU 52 -4.713 31.152 0.224 1.00 12.43 ATOM 810 HA LEU 52 -5.531 30.554 0.579 1.00 24.43 ATOM 811 CB LEU 52 -4.713 31.135 -1.305 1.00 72.33 ATOM 812 HB1 LEU 52 -4.398 30.162 -1.636 1.00 36.88 ATOM 813 HB2 LEU 52 -3.977 31.857 -1.636 1.00 40.41 ATOM 814 CG LEU 52 -6.046 31.461 -1.980 1.00 61.33 ATOM 815 HG LEU 52 -6.446 32.370 -1.554 1.00 20.23 ATOM 816 CD1 LEU 52 -5.847 31.691 -3.470 1.00 53.43 ATOM 817 HD11 LEU 52 -5.454 30.794 -3.929 1.00 71.04 ATOM 818 HD12 LEU 52 -5.152 32.505 -3.621 1.00 31.34 ATOM 819 HD13 LEU 52 -6.794 31.943 -3.928 1.00 73.14 ATOM 820 CD2 LEU 52 -7.052 30.344 -1.741 1.00 40.21 ATOM 821 HD21 LEU 52 -6.628 29.396 -2.043 1.00 51.20 ATOM 822 HD22 LEU 52 -7.936 30.536 -2.323 1.00 2.34 ATOM 823 HD23 LEU 52 -7.307 30.307 -0.694 1.00 53.04 ATOM 824 C LEU 52 -3.405 30.571 0.751 1.00 72.40 ATOM 825 O LEU 52 -3.349 29.409 1.154 1.00 43.23 ATOM 826 N ALA 53 -2.356 31.387 0.747 1.00 74.34 ATOM 827 HN ALA 53 -2.457 32.310 0.414 1.00 36.88 ATOM 828 CA ALA 53 -1.050 30.955 1.228 1.00 71.53 ATOM 829 HA ALA 53 -0.920 29.905 0.989 1.00 31.52 ATOM 830 CB ALA 53 0.054 31.726 0.521 1.00 5.42 ATOM 831 HB1 ALA 53 -0.043 31.591 -0.546 1.00 24.02 ATOM 832 HB2 ALA 53 1.019 31.357 0.841 1.00 15.31 ATOM 833 HB3 ALA 53 -0.027 32.778 0.758 1.00 54.24 ATOM 834 C ALA 53 -0.936 31.128 2.738 1.00 15.34 ATOM 835 O ALA 53 -0.156 30.439 3.395 1.00 44.20 ATOM 836 N ARG 54 -1.720 32.053 3.284 1.00 44.44 ATOM 837 HN ARG 54 -2.316 32.588 2.712 1.00 36.88 ATOM 838 CA ARG 54 -1.705 32.319 4.717 1.00 20.41 ATOM 839 HA ARG 54 -0.686 32.549 5.006 1.00 22.50 ATOM 840 CB ARG 54 -2.607 33.510 5.046 1.00 30.52 ATOM 841 HB1 ARG 54 -3.014 33.389 6.045 1.00 36.88 ATOM 842 HB2 ARG 54 -3.423 33.535 4.345 1.00 4.22 ATOM 843 CG ARG 54 -1.889 34.849 4.999 1.00 33.51 ATOM 844 HG1 ARG 54 -1.502 35.011 4.007 1.00 36.88 ATOM 845 HG2 ARG 54 -1.070 34.828 5.704 1.00 50.52 ATOM 846 CD ARG 54 -2.820 35.993 5.370 1.00 61.34 ATOM 847 HD1 ARG 54 -2.883 36.050 6.447 1.00 36.88 ATOM 848 HD2 ARG 54 -3.806 35.804 4.962 1.00 41.23 ATOM 849 NE ARG 54 -2.344 37.274 4.854 1.00 33.22 ATOM 850 HE ARG 54 -1.524 37.276 4.306 1.00 12.10 ATOM 851 CZ ARG 54 -2.956 38.431 5.083 1.00 61.41 ATOM 852 NH1 ARG 54 -4.061 38.467 5.815 1.00 60.25 ATOM 853 HH11 ARG 54 -4.453 37.635 6.206 1.00 60.41 ATOM 854 HH12 ARG 54 -4.516 39.344 5.983 1.00 1.42 ATOM 855 NH2 ARG 54 -2.462 39.555 4.580 1.00 62.54 ATOM 856 HH21 ARG 54 -1.627 39.535 4.027 1.00 42.23 ATOM 857 HH22 ARG 54 -2.922 40.429 4.751 1.00 3.40 ATOM 858 C ARG 54 -2.159 31.091 5.502 1.00 44.12 ATOM 859 O ARG 54 -1.625 30.793 6.571 1.00 54.12 ATOM 860 N TYR 55 -3.146 30.384 4.964 1.00 21.52 ATOM 861 HN TYR 55 -3.542 30.663 4.106 1.00 36.88 ATOM 862 CA TYR 55 -3.673 29.190 5.615 1.00 14.21 ATOM 863 HA TYR 55 -3.356 29.201 6.651 1.00 24.35 ATOM 864 CB TYR 55 -5.202 29.194 5.571 1.00 34.44 ATOM 865 HB1 TYR 55 -5.582 28.192 5.728 1.00 36.88 ATOM 866 HB2 TYR 55 -5.520 29.528 4.591 1.00 71.43 ATOM 867 CG TYR 55 -5.836 30.107 6.597 1.00 65.50 ATOM 868 CD1 TYR 55 -6.442 29.590 7.735 1.00 22.35 ATOM 869 HD1 TYR 55 -6.445 28.525 7.892 1.00 0.32 ATOM 870 CD2 TYR 55 -5.828 31.485 6.427 1.00 15.44 ATOM 871 HD2 TYR 55 -5.362 31.907 5.547 1.00 13.11 ATOM 872 CE1 TYR 55 -7.022 30.420 8.675 1.00 32.30 ATOM 873 HE1 TYR 55 -7.488 29.998 9.553 1.00 44.41 ATOM 874 CE2 TYR 55 -6.405 32.323 7.362 1.00 10.13 ATOM 875 HE2 TYR 55 -6.387 33.392 7.213 1.00 62.41 ATOM 876 CZ TYR 55 -7.001 31.786 8.484 1.00 22.42 ATOM 877 OH TYR 55 -7.577 32.617 9.417 1.00 35.42 ATOM 878 HH TYR 55 -7.027 32.654 10.206 1.00 55.44 ATOM 879 C TYR 55 -3.137 27.925 4.951 1.00 13.55 ATOM 880 O TYR 55 -2.712 27.932 3.796 1.00 11.10 ATOM 881 N PRO 56 -3.158 26.812 5.699 1.00 1.11 ATOM 882 CA PRO 56 -2.679 25.518 5.205 1.00 61.30 ATOM 883 HA PRO 56 -1.672 25.589 4.819 1.00 14.14 ATOM 884 CB PRO 56 -2.688 24.635 6.456 1.00 52.14 ATOM 885 HB1 PRO 56 -1.712 24.667 6.916 1.00 36.88 ATOM 886 HB2 PRO 56 -2.933 23.608 6.214 1.00 45.13 ATOM 887 CG PRO 56 -3.711 25.251 7.347 1.00 44.53 ATOM 888 HG1 PRO 56 -3.472 25.044 8.380 1.00 36.88 ATOM 889 HG2 PRO 56 -4.690 24.866 7.103 1.00 74.23 ATOM 890 CD PRO 56 -3.651 26.731 7.084 1.00 22.13 ATOM 891 HD1 PRO 56 -2.962 27.206 7.767 1.00 36.88 ATOM 892 HD2 PRO 56 -4.631 27.155 7.187 1.00 1.42 ATOM 893 C PRO 56 -3.592 24.932 4.133 1.00 12.52 ATOM 894 O PRO 56 -4.396 24.040 4.407 1.00 24.13 ATOM 895 N LEU 57 -3.464 25.440 2.912 1.00 30.41 ATOM 896 HN LEU 57 -2.800 26.149 2.744 1.00 36.88 ATOM 897 CA LEU 57 -4.278 24.966 1.798 1.00 50.32 ATOM 898 HA LEU 57 -5.025 24.285 2.173 1.00 4.12 ATOM 899 CB LEU 57 -4.999 26.140 1.133 1.00 41.15 ATOM 900 HB1 LEU 57 -5.675 25.744 0.386 1.00 36.88 ATOM 901 HB2 LEU 57 -4.258 26.753 0.643 1.00 12.14 ATOM 902 CG LEU 57 -5.791 27.057 2.065 1.00 4.33 ATOM 903 HG LEU 57 -5.106 27.556 2.735 1.00 41.14 ATOM 904 CD1 LEU 57 -6.527 28.123 1.268 1.00 63.31 ATOM 905 HD11 LEU 57 -6.984 28.831 1.938 1.00 50.43 ATOM 906 HD12 LEU 57 -7.286 27.657 0.661 1.00 54.13 ATOM 907 HD13 LEU 57 -5.829 28.634 0.626 1.00 64.41 ATOM 908 CD2 LEU 57 -6.767 26.248 2.906 1.00 12.13 ATOM 909 HD21 LEU 57 -7.350 26.915 3.528 1.00 20.14 ATOM 910 HD22 LEU 57 -6.225 25.563 3.540 1.00 63.42 ATOM 911 HD23 LEU 57 -7.432 25.692 2.260 1.00 21.34 ATOM 912 C LEU 57 -3.421 24.233 0.771 1.00 75.32 ATOM 913 O LEU 57 -2.340 24.693 0.405 1.00 5.50 ATOM 914 N THR 58 -3.913 23.088 0.307 1.00 55.25 ATOM 915 HN THR 58 -4.771 22.753 0.650 1.00 36.88 ATOM 916 CA THR 58 -3.194 22.291 -0.679 1.00 54.11 ATOM 917 HA THR 58 -2.141 22.556 -0.651 1.00 73.12 ATOM 918 CB THR 58 -3.321 20.785 -0.384 1.00 74.42 ATOM 919 HB THR 58 -3.187 20.218 -1.298 1.00 45.04 ATOM 920 OG1 THR 58 -4.620 20.497 0.147 1.00 3.23 ATOM 921 HG1 THR 58 -4.842 19.577 -0.021 1.00 63.42 ATOM 922 CG2 THR 58 -2.253 20.334 0.601 1.00 54.11 ATOM 923 HG21 THR 58 -1.273 20.523 0.186 1.00 23.42 ATOM 924 HG22 THR 58 -2.364 19.276 0.790 1.00 2.52 ATOM 925 HG23 THR 58 -2.362 20.877 1.529 1.00 24.13 ATOM 926 C THR 58 -3.706 22.566 -2.088 1.00 54.43 ATOM 927 O THR 58 -4.695 23.275 -2.271 1.00 55.21 ATOM 928 N GLU 59 -3.027 22.001 -3.081 1.00 61.40 ATOM 929 HN GLU 59 -2.238 21.446 -2.871 1.00 36.88 ATOM 930 CA GLU 59 -3.415 22.186 -4.474 1.00 43.44 ATOM 931 HA GLU 59 -3.309 23.236 -4.714 1.00 12.31 ATOM 932 CB GLU 59 -2.506 21.368 -5.393 1.00 64.24 ATOM 933 HB1 GLU 59 -2.921 21.359 -6.394 1.00 36.88 ATOM 934 HB2 GLU 59 -2.466 20.353 -5.022 1.00 50.11 ATOM 935 CG GLU 59 -1.087 21.905 -5.483 1.00 12.44 ATOM 936 HG1 GLU 59 -0.697 22.034 -4.482 1.00 36.88 ATOM 937 HG2 GLU 59 -1.110 22.861 -5.984 1.00 32.53 ATOM 938 CD GLU 59 -0.160 20.982 -6.249 1.00 33.44 ATOM 939 OE1 GLU 59 0.854 20.542 -5.667 1.00 54.03 ATOM 940 OE2 GLU 59 -0.450 20.698 -7.430 1.00 43.21 ATOM 941 C GLU 59 -4.871 21.785 -4.692 1.00 63.11 ATOM 942 O GLU 59 -5.534 22.285 -5.600 1.00 75.34 ATOM 943 N SER 60 -5.360 20.878 -3.852 1.00 54.52 ATOM 944 HN SER 60 -4.781 20.472 -3.169 1.00 36.88 ATOM 945 CA SER 60 -6.736 20.406 -3.955 1.00 31.23 ATOM 946 HA SER 60 -7.005 20.348 -5.003 1.00 71.55 ATOM 947 CB SER 60 -6.865 19.009 -3.343 1.00 3.40 ATOM 948 HB1 SER 60 -7.898 18.812 -3.081 1.00 36.88 ATOM 949 HB2 SER 60 -6.255 18.944 -2.453 1.00 21.44 ATOM 950 OG SER 60 -6.444 18.012 -4.257 1.00 73.51 ATOM 951 HG SER 60 -5.485 17.953 -4.252 1.00 2.44 ATOM 952 C SER 60 -7.694 21.368 -3.260 1.00 14.15 ATOM 953 O SER 60 -8.847 21.513 -3.665 1.00 72.21 ATOM 954 N GLN 61 -7.208 22.023 -2.210 1.00 44.14 ATOM 955 HN GLN 61 -6.289 21.855 -1.912 1.00 36.88 ATOM 956 CA GLN 61 -8.021 22.971 -1.458 1.00 43.20 ATOM 957 HA GLN 61 -9.017 22.590 -1.380 1.00 71.31 ATOM 958 CB GLN 61 -7.449 23.162 -0.052 1.00 51.31 ATOM 959 HB1 GLN 61 -8.026 23.926 0.458 1.00 36.88 ATOM 960 HB2 GLN 61 -6.431 23.495 -0.136 1.00 2.43 ATOM 961 CG GLN 61 -7.483 21.901 0.795 1.00 31.42 ATOM 962 HG1 GLN 61 -6.826 21.171 0.362 1.00 36.88 ATOM 963 HG2 GLN 61 -8.486 21.516 0.800 1.00 62.00 ATOM 964 CD GLN 61 -7.067 22.150 2.231 1.00 4.52 ATOM 965 OE1 GLN 61 -5.879 22.141 2.556 1.00 61.41 ATOM 966 NE2 GLN 61 -8.044 22.377 3.101 1.00 75.43 ATOM 967 HE21 GLN 61 -8.976 22.375 2.786 1.00 42.14 ATOM 968 HE22 GLN 61 -7.794 22.540 4.034 1.00 40.35 ATOM 969 C GLN 61 -8.095 24.315 -2.176 1.00 72.43 ATOM 970 O GLN 61 -9.182 24.841 -2.419 1.00 1.30 ATOM 971 N LEU 62 -6.934 24.864 -2.514 1.00 10.52 ATOM 972 HN LEU 62 -6.099 24.392 -2.295 1.00 36.88 ATOM 973 CA LEU 62 -6.867 26.148 -3.205 1.00 32.44 ATOM 974 HA LEU 62 -7.226 26.910 -2.527 1.00 1.51 ATOM 975 CB LEU 62 -5.423 26.463 -3.598 1.00 21.21 ATOM 976 HB1 LEU 62 -5.451 27.167 -4.425 1.00 36.88 ATOM 977 HB2 LEU 62 -4.967 25.551 -3.966 1.00 25.54 ATOM 978 CG LEU 62 -4.543 27.058 -2.499 1.00 3.44 ATOM 979 HG LEU 62 -5.166 27.522 -1.744 1.00 22.50 ATOM 980 CD1 LEU 62 -3.727 25.970 -1.820 1.00 24.54 ATOM 981 HD11 LEU 62 -3.139 25.438 -2.555 1.00 61.12 ATOM 982 HD12 LEU 62 -4.396 25.294 -1.338 1.00 51.35 ATOM 983 HD13 LEU 62 -3.069 26.414 -1.088 1.00 12.12 ATOM 984 CD2 LEU 62 -3.630 28.134 -3.070 1.00 61.51 ATOM 985 HD21 LEU 62 -4.228 28.918 -3.513 1.00 65.11 ATOM 986 HD22 LEU 62 -2.986 27.704 -3.825 1.00 2.50 ATOM 987 HD23 LEU 62 -3.024 28.554 -2.279 1.00 63.51 ATOM 988 C LEU 62 -7.755 26.145 -4.445 1.00 10.21 ATOM 989 O LEU 62 -8.365 27.158 -4.786 1.00 10.24 ATOM 990 N ALA 63 -7.824 24.999 -5.115 1.00 1.42 ATOM 991 HN ALA 63 -7.295 24.224 -4.813 1.00 36.88 ATOM 992 CA ALA 63 -8.640 24.864 -6.315 1.00 34.25 ATOM 993 HA ALA 63 -8.265 25.556 -7.058 1.00 62.50 ATOM 994 CB ALA 63 -8.518 23.457 -6.880 1.00 61.31 ATOM 995 HB1 ALA 63 -9.081 23.384 -7.800 1.00 74.43 ATOM 996 HB2 ALA 63 -8.901 22.743 -6.165 1.00 40.34 ATOM 997 HB3 ALA 63 -7.479 23.241 -7.079 1.00 63.13 ATOM 998 C ALA 63 -10.101 25.194 -6.025 1.00 43.40 ATOM 999 O ALA 63 -10.802 25.748 -6.873 1.00 35.05 ATOM 1000 N LEU 64 -10.553 24.851 -4.824 1.00 50.40 ATOM 1001 HN LEU 64 -9.954 24.401 -4.187 1.00 36.88 ATOM 1002 CA LEU 64 -11.931 25.111 -4.423 1.00 12.44 ATOM 1003 HA LEU 64 -12.579 24.923 -5.271 1.00 43.11 ATOM 1004 CB LEU 64 -12.337 24.174 -3.284 1.00 71.33 ATOM 1005 HB1 LEU 64 -11.611 24.308 -2.494 1.00 36.88 ATOM 1006 HB2 LEU 64 -12.243 23.156 -3.645 1.00 2.03 ATOM 1007 CG LEU 64 -13.741 24.378 -2.715 1.00 14.13 ATOM 1008 HG LEU 64 -14.081 25.387 -2.896 1.00 43.51 ATOM 1009 CD1 LEU 64 -14.733 23.444 -3.391 1.00 21.02 ATOM 1010 HD11 LEU 64 -14.682 22.454 -2.956 1.00 21.25 ATOM 1011 HD12 LEU 64 -14.516 23.378 -4.451 1.00 44.11 ATOM 1012 HD13 LEU 64 -15.719 23.844 -3.268 1.00 21.33 ATOM 1013 CD2 LEU 64 -13.743 24.161 -1.209 1.00 22.25 ATOM 1014 HD21 LEU 64 -14.004 23.149 -0.980 1.00 40.11 ATOM 1015 HD22 LEU 64 -14.478 24.815 -0.766 1.00 74.33 ATOM 1016 HD23 LEU 64 -12.775 24.389 -0.781 1.00 23.22 ATOM 1017 C LEU 64 -12.107 26.563 -3.988 1.00 73.13 ATOM 1018 O LEU 64 -13.029 27.247 -4.432 1.00 53.43 ATOM 1019 N VAL 65 -11.216 27.028 -3.119 1.00 24.52 ATOM 1020 HN VAL 65 -10.494 26.432 -2.820 1.00 36.88 ATOM 1021 CA VAL 65 -11.270 28.399 -2.627 1.00 32.12 ATOM 1022 HA VAL 65 -12.162 28.500 -2.024 1.00 34.41 ATOM 1023 CB VAL 65 -10.048 28.730 -1.750 1.00 20.43 ATOM 1024 HB VAL 65 -9.164 28.717 -2.373 1.00 51.12 ATOM 1025 CG1 VAL 65 -10.187 30.117 -1.141 1.00 61.41 ATOM 1026 HG11 VAL 65 -11.162 30.228 -0.692 1.00 12.24 ATOM 1027 HG12 VAL 65 -10.064 30.844 -1.917 1.00 24.13 ATOM 1028 HG13 VAL 65 -9.429 30.271 -0.386 1.00 32.13 ATOM 1029 CG2 VAL 65 -9.871 27.678 -0.665 1.00 61.31 ATOM 1030 HG21 VAL 65 -9.249 28.067 0.126 1.00 71.43 ATOM 1031 HG22 VAL 65 -9.396 26.809 -1.081 1.00 14.24 ATOM 1032 HG23 VAL 65 -10.833 27.400 -0.252 1.00 60.12 ATOM 1033 C VAL 65 -11.339 29.394 -3.780 1.00 3.02 ATOM 1034 O VAL 65 -11.905 30.479 -3.644 1.00 61.20 ATOM 1035 N ARG 66 -10.759 29.017 -4.915 1.00 3.34 ATOM 1036 HN ARG 66 -10.280 28.159 -4.963 1.00 36.88 ATOM 1037 CA ARG 66 -10.753 29.877 -6.092 1.00 13.10 ATOM 1038 HA ARG 66 -10.554 30.895 -5.773 1.00 71.24 ATOM 1039 CB ARG 66 -9.658 29.438 -7.065 1.00 42.04 ATOM 1040 HB1 ARG 66 -9.867 29.858 -8.045 1.00 36.88 ATOM 1041 HB2 ARG 66 -9.667 28.360 -7.140 1.00 14.42 ATOM 1042 CG ARG 66 -8.263 29.874 -6.649 1.00 44.21 ATOM 1043 HG1 ARG 66 -7.906 29.219 -5.874 1.00 36.88 ATOM 1044 HG2 ARG 66 -8.301 30.888 -6.272 1.00 32.44 ATOM 1045 CD ARG 66 -7.292 29.825 -7.818 1.00 44.54 ATOM 1046 HD1 ARG 66 -7.510 28.959 -8.433 1.00 36.88 ATOM 1047 HD2 ARG 66 -6.290 29.736 -7.424 1.00 73.21 ATOM 1048 NE ARG 66 -7.364 31.030 -8.640 1.00 40.45 ATOM 1049 HE ARG 66 -7.943 31.766 -8.331 1.00 31.40 ATOM 1050 CZ ARG 66 -6.692 31.187 -9.775 1.00 42.14 ATOM 1051 NH1 ARG 66 -5.902 30.220 -10.221 1.00 5.13 ATOM 1052 HH11 ARG 66 -5.795 29.363 -9.720 1.00 5.43 ATOM 1053 HH12 ARG 66 -5.400 30.347 -11.079 1.00 54.33 ATOM 1054 NH2 ARG 66 -6.810 32.313 -10.468 1.00 22.02 ATOM 1055 HH21 ARG 66 -7.406 33.048 -10.137 1.00 42.13 ATOM 1056 HH22 ARG 66 -6.304 32.433 -11.324 1.00 45.15 ATOM 1057 C ARG 66 -12.110 29.851 -6.791 1.00 4.15 ATOM 1058 O ARG 66 -12.553 30.857 -7.345 1.00 62.22 ATOM 1059 N ASP 67 -12.763 28.695 -6.760 1.00 20.25 ATOM 1060 HN ASP 67 -12.354 27.917 -6.321 1.00 36.88 ATOM 1061 CA ASP 67 -14.069 28.537 -7.389 1.00 0.50 ATOM 1062 HA ASP 67 -14.027 29.008 -8.366 1.00 20.20 ATOM 1063 CB ASP 67 -14.403 27.054 -7.556 1.00 11.33 ATOM 1064 HB1 ASP 67 -15.033 26.715 -6.743 1.00 36.88 ATOM 1065 HB2 ASP 67 -13.488 26.478 -7.548 1.00 61.31 ATOM 1066 CG ASP 67 -15.115 26.765 -8.863 1.00 22.54 ATOM 1067 OD1 ASP 67 -14.424 26.492 -9.866 1.00 62.22 ATOM 1068 OD2 ASP 67 -16.363 26.811 -8.882 1.00 42.21 ATOM 1069 C ASP 67 -15.154 29.227 -6.568 1.00 54.03 ATOM 1070 O ASP 67 -16.039 29.884 -7.118 1.00 70.44 ATOM 1071 N ILE 68 -15.081 29.072 -5.251 1.00 3.33 ATOM 1072 HN ILE 68 -14.339 28.550 -4.872 1.00 36.88 ATOM 1073 CA ILE 68 -16.057 29.680 -4.355 1.00 1.11 ATOM 1074 HA ILE 68 -17.012 29.199 -4.527 1.00 73.34 ATOM 1075 CB ILE 68 -15.668 29.479 -2.878 1.00 61.14 ATOM 1076 HB ILE 68 -14.711 29.958 -2.714 1.00 52.33 ATOM 1077 CG1 ILE 68 -15.549 27.987 -2.558 1.00 53.43 ATOM 1078 HG11 ILE 68 -15.076 27.460 -3.364 1.00 36.88 ATOM 1079 HG12 ILE 68 -16.537 27.570 -2.416 1.00 42.44 ATOM 1080 CG2 ILE 68 -16.689 30.142 -1.967 1.00 10.45 ATOM 1081 HG21 ILE 68 -16.488 29.870 -0.938 1.00 13.22 ATOM 1082 HG22 ILE 68 -17.686 29.816 -2.231 1.00 42.31 ATOM 1083 HG23 ILE 68 -16.625 31.216 -2.061 1.00 1.03 ATOM 1084 CD1 ILE 68 -14.753 27.700 -1.305 1.00 32.24 ATOM 1085 HD11 ILE 68 -14.508 28.618 -0.789 1.00 52.04 ATOM 1086 HD12 ILE 68 -13.842 27.186 -1.570 1.00 35.41 ATOM 1087 HD13 ILE 68 -15.337 27.070 -0.649 1.00 31.42 ATOM 1088 C ILE 68 -16.203 31.173 -4.632 1.00 25.42 ATOM 1089 O ILE 68 -17.313 31.679 -4.792 1.00 11.12 ATOM 1090 N ARG 69 -15.073 31.871 -4.689 1.00 14.25 ATOM 1091 HN ARG 69 -14.211 31.408 -4.555 1.00 36.88 ATOM 1092 CA ARG 69 -15.075 33.306 -4.947 1.00 1.11 ATOM 1093 HA ARG 69 -15.732 33.775 -4.224 1.00 12.53 ATOM 1094 CB ARG 69 -13.665 33.877 -4.782 1.00 53.01 ATOM 1095 HB1 ARG 69 -13.064 33.592 -5.636 1.00 36.88 ATOM 1096 HB2 ARG 69 -13.219 33.455 -3.903 1.00 0.23 ATOM 1097 CG ARG 69 -13.631 35.392 -4.668 1.00 54.33 ATOM 1098 HG1 ARG 69 -14.317 35.705 -3.893 1.00 36.88 ATOM 1099 HG2 ARG 69 -13.932 35.821 -5.612 1.00 73.15 ATOM 1100 CD ARG 69 -12.238 35.894 -4.322 1.00 71.15 ATOM 1101 HD1 ARG 69 -11.551 35.573 -5.088 1.00 36.88 ATOM 1102 HD2 ARG 69 -11.941 35.464 -3.375 1.00 43.24 ATOM 1103 NE ARG 69 -12.194 37.349 -4.205 1.00 22.01 ATOM 1104 HE ARG 69 -12.228 37.729 -3.300 1.00 73.23 ATOM 1105 CZ ARG 69 -12.111 38.168 -5.247 1.00 43.32 ATOM 1106 NH1 ARG 69 -12.064 37.678 -6.478 1.00 64.11 ATOM 1107 HH11 ARG 69 -12.093 36.698 -6.654 1.00 34.03 ATOM 1108 HH12 ARG 69 -11.998 38.306 -7.256 1.00 53.13 ATOM 1109 NH2 ARG 69 -12.075 39.481 -5.059 1.00 50.42 ATOM 1110 HH21 ARG 69 -12.116 39.859 -4.132 1.00 25.22 ATOM 1111 HH22 ARG 69 -11.990 40.099 -5.843 1.00 54.00 ATOM 1112 C ARG 69 -15.596 33.605 -6.350 1.00 3.34 ATOM 1113 O ARG 69 -16.259 34.618 -6.573 1.00 72.01 ATOM 1114 N ARG 70 -15.290 32.718 -7.291 1.00 20.05 ATOM 1115 HN ARG 70 -14.743 31.931 -7.061 1.00 36.88 ATOM 1116 CA ARG 70 -15.725 32.888 -8.671 1.00 75.04 ATOM 1117 HA ARG 70 -15.390 33.858 -9.015 1.00 65.41 ATOM 1118 CB ARG 70 -15.103 31.810 -9.561 1.00 54.11 ATOM 1119 HB1 ARG 70 -15.268 30.846 -9.113 1.00 36.88 ATOM 1120 HB2 ARG 70 -14.037 31.990 -9.613 1.00 41.44 ATOM 1121 CG ARG 70 -15.673 31.780 -10.970 1.00 60.10 ATOM 1122 HG1 ARG 70 -16.004 32.772 -11.253 1.00 36.88 ATOM 1123 HG2 ARG 70 -16.512 31.101 -10.993 1.00 21.24 ATOM 1124 CD ARG 70 -14.637 31.310 -11.980 1.00 14.14 ATOM 1125 HD1 ARG 70 -14.331 30.305 -11.723 1.00 36.88 ATOM 1126 HD2 ARG 70 -13.780 31.969 -11.936 1.00 70.30 ATOM 1127 NE ARG 70 -15.162 31.312 -13.343 1.00 24.13 ATOM 1128 HE ARG 70 -16.089 31.619 -13.481 1.00 42.12 ATOM 1129 CZ ARG 70 -14.459 30.924 -14.401 1.00 22.21 ATOM 1130 NH1 ARG 70 -13.210 30.504 -14.254 1.00 4.52 ATOM 1131 HH11 ARG 70 -12.776 30.471 -13.355 1.00 74.42 ATOM 1132 HH12 ARG 70 -12.687 30.213 -15.058 1.00 61.42 ATOM 1133 NH2 ARG 70 -15.006 30.954 -15.610 1.00 4.15 ATOM 1134 HH21 ARG 70 -15.950 31.269 -15.728 1.00 51.43 ATOM 1135 HH22 ARG 70 -14.477 30.662 -16.410 1.00 40.02 ATOM 1136 C ARG 70 -17.247 32.830 -8.773 1.00 1.43 ATOM 1137 O ARG 70 -17.856 33.567 -9.549 1.00 65.33 ATOM 1138 N ARG 71 -17.854 31.951 -7.983 1.00 75.32 ATOM 1139 HN ARG 71 -17.319 31.384 -7.379 1.00 36.88 ATOM 1140 CA ARG 71 -19.304 31.796 -7.985 1.00 71.12 ATOM 1141 HA ARG 71 -19.665 31.940 -8.998 1.00 73.41 ATOM 1142 CB ARG 71 -19.689 30.392 -7.515 1.00 70.12 ATOM 1143 HB1 ARG 71 -20.733 30.379 -7.219 1.00 36.88 ATOM 1144 HB2 ARG 71 -19.086 30.139 -6.654 1.00 13.20 ATOM 1145 CG ARG 71 -19.475 29.317 -8.568 1.00 62.03 ATOM 1146 HG1 ARG 71 -19.447 28.355 -8.078 1.00 36.88 ATOM 1147 HG2 ARG 71 -18.533 29.489 -9.072 1.00 2.15 ATOM 1148 CD ARG 71 -20.597 29.311 -9.594 1.00 72.33 ATOM 1149 HD1 ARG 71 -20.899 30.328 -9.811 1.00 36.88 ATOM 1150 HD2 ARG 71 -21.433 28.773 -9.172 1.00 43.11 ATOM 1151 NE ARG 71 -20.194 28.668 -10.842 1.00 53.34 ATOM 1152 HE ARG 71 -19.236 28.474 -10.973 1.00 31.15 ATOM 1153 CZ ARG 71 -21.046 28.337 -11.807 1.00 22.24 ATOM 1154 NH1 ARG 71 -22.340 28.586 -11.667 1.00 15.21 ATOM 1155 HH11 ARG 71 -22.702 29.024 -10.847 1.00 51.52 ATOM 1156 HH12 ARG 71 -22.975 28.331 -12.400 1.00 34.31 ATOM 1157 NH2 ARG 71 -20.603 27.755 -12.914 1.00 4.03 ATOM 1158 HH21 ARG 71 -19.626 27.563 -13.026 1.00 32.43 ATOM 1159 HH22 ARG 71 -21.244 27.504 -13.643 1.00 30.25 ATOM 1160 C ARG 71 -19.964 32.842 -7.091 1.00 61.23 ATOM 1161 O ARG 71 -21.111 33.227 -7.312 1.00 51.52 ATOM 1162 N GLY 72 -19.230 33.297 -6.080 1.00 70.40 ATOM 1163 HN GLY 72 -18.325 32.952 -5.923 1.00 36.88 ATOM 1164 CA GLY 72 -19.761 34.293 -5.168 1.00 25.23 ATOM 1165 HA1 GLY 72 -19.143 34.312 -4.282 1.00 36.88 ATOM 1166 HA2 GLY 72 -20.769 34.022 -4.880 1.00 72.01 ATOM 1167 C GLY 72 -19.779 35.682 -5.773 1.00 53.15 ATOM 1168 O GLY 72 -20.786 36.387 -5.700 1.00 33.35 ATOM 1169 N LYS 73 -18.662 36.079 -6.374 1.00 14.44 ATOM 1170 HN LYS 73 -17.887 35.470 -6.396 1.00 36.88 ATOM 1171 CA LYS 73 -18.553 37.394 -6.995 1.00 21.03 ATOM 1172 HA LYS 73 -18.660 38.134 -6.212 1.00 14.12 ATOM 1173 CB LYS 73 -17.187 37.551 -7.667 1.00 73.34 ATOM 1174 HB1 LYS 73 -17.285 37.395 -8.734 1.00 36.88 ATOM 1175 HB2 LYS 73 -16.507 36.808 -7.284 1.00 3.10 ATOM 1176 CG LYS 73 -16.559 38.918 -7.458 1.00 32.45 ATOM 1177 HG1 LYS 73 -17.338 39.672 -7.458 1.00 36.88 ATOM 1178 HG2 LYS 73 -15.880 39.109 -8.278 1.00 62.15 ATOM 1179 CD LYS 73 -15.774 38.977 -6.158 1.00 65.33 ATOM 1180 HD1 LYS 73 -14.736 38.766 -6.369 1.00 36.88 ATOM 1181 HD2 LYS 73 -16.156 38.240 -5.461 1.00 25.30 ATOM 1182 CE LYS 73 -15.877 40.347 -5.506 1.00 35.21 ATOM 1183 HE1 LYS 73 -15.681 40.235 -4.450 1.00 36.88 ATOM 1184 HE2 LYS 73 -16.874 40.746 -5.638 1.00 42.32 ATOM 1185 NZ LYS 73 -14.889 41.307 -6.071 1.00 74.23 ATOM 1186 HZ1 LYS 73 -15.002 42.237 -5.619 1.00 21.42 ATOM 1187 HZ2 LYS 73 -15.035 41.417 -7.096 1.00 14.24 ATOM 1188 HZ3 LYS 73 -13.925 40.973 -5.905 1.00 41.43 ATOM 1189 C LYS 73 -19.663 37.606 -8.019 1.00 12.12 ATOM 1190 O LYS 73 -20.090 38.734 -8.260 1.00 40.35 ATOM 1191 N ASN 74 -20.127 36.513 -8.617 1.00 14.55 ATOM 1192 HN ASN 74 -19.730 35.635 -8.419 1.00 36.88 ATOM 1193 CA ASN 74 -21.189 36.581 -9.614 1.00 72.50 ATOM 1194 HA ASN 74 -21.037 37.470 -10.217 1.00 34.02 ATOM 1195 CB ASN 74 -21.137 35.354 -10.528 1.00 12.52 ATOM 1196 HB1 ASN 74 -21.334 34.464 -9.945 1.00 36.88 ATOM 1197 HB2 ASN 74 -20.146 35.282 -10.955 1.00 33.40 ATOM 1198 CG ASN 74 -22.136 35.439 -11.666 1.00 21.21 ATOM 1199 OD1 ASN 74 -22.051 36.324 -12.517 1.00 45.11 ATOM 1200 ND2 ASN 74 -23.090 34.515 -11.685 1.00 41.23 ATOM 1201 HD21 ASN 74 -23.112 33.830 -10.979 1.00 50.53 ATOM 1202 HD22 ASN 74 -23.745 34.553 -12.413 1.00 74.23 ATOM 1203 C ASN 74 -22.558 36.673 -8.946 1.00 41.22 ATOM 1204 O ASN 74 -23.496 37.243 -9.504 1.00 0.43 ATOM 1205 N LYS 75 -22.665 36.109 -7.748 1.00 42.10 ATOM 1206 HN LYS 75 -21.900 35.634 -7.365 1.00 36.88 ATOM 1207 CA LYS 75 -23.917 36.129 -7.002 1.00 32.34 ATOM 1208 HA LYS 75 -24.695 35.724 -7.638 1.00 24.11 ATOM 1209 CB LYS 75 -23.801 35.259 -5.748 1.00 73.50 ATOM 1210 HB1 LYS 75 -23.083 35.708 -5.072 1.00 36.88 ATOM 1211 HB2 LYS 75 -23.441 34.283 -6.040 1.00 64.00 ATOM 1212 CG LYS 75 -25.116 35.079 -5.009 1.00 21.32 ATOM 1213 HG1 LYS 75 -25.812 34.552 -5.649 1.00 36.88 ATOM 1214 HG2 LYS 75 -25.521 36.051 -4.766 1.00 12.14 ATOM 1215 CD LYS 75 -24.926 34.306 -3.714 1.00 14.40 ATOM 1216 HD1 LYS 75 -25.764 34.514 -3.064 1.00 36.88 ATOM 1217 HD2 LYS 75 -24.012 34.622 -3.228 1.00 31.12 ATOM 1218 CE LYS 75 -24.864 32.807 -3.963 1.00 53.22 ATOM 1219 HE1 LYS 75 -24.264 32.612 -4.843 1.00 36.88 ATOM 1220 HE2 LYS 75 -25.866 32.441 -4.125 1.00 42.31 ATOM 1221 NZ LYS 75 -24.266 32.078 -2.811 1.00 32.31 ATOM 1222 HZ1 LYS 75 -23.294 32.410 -2.637 1.00 44.40 ATOM 1223 HZ2 LYS 75 -24.238 31.058 -3.013 1.00 30.25 ATOM 1224 HZ3 LYS 75 -24.834 32.231 -1.951 1.00 61.24 ATOM 1225 C LYS 75 -24.295 37.554 -6.611 1.00 34.22 ATOM 1226 O LYS 75 -25.408 38.007 -6.879 1.00 51.22 ATOM 1227 N VAL 76 -23.362 38.256 -5.977 1.00 0.34 ATOM 1228 HN VAL 76 -22.489 37.837 -5.788 1.00 36.88 ATOM 1229 CA VAL 76 -23.597 39.631 -5.551 1.00 42.04 ATOM 1230 HA VAL 76 -24.477 39.639 -4.917 1.00 73.14 ATOM 1231 CB VAL 76 -22.408 40.178 -4.740 1.00 3.34 ATOM 1232 HB VAL 76 -22.177 39.471 -3.956 1.00 41.33 ATOM 1233 CG1 VAL 76 -21.179 40.326 -5.625 1.00 34.44 ATOM 1234 HG11 VAL 76 -20.328 40.572 -5.007 1.00 41.22 ATOM 1235 HG12 VAL 76 -21.325 41.113 -6.351 1.00 42.02 ATOM 1236 HG13 VAL 76 -20.985 39.396 -6.135 1.00 42.01 ATOM 1237 CG2 VAL 76 -22.771 41.506 -4.093 1.00 11.25 ATOM 1238 HG21 VAL 76 -22.962 42.249 -4.853 1.00 44.24 ATOM 1239 HG22 VAL 76 -21.953 41.837 -3.469 1.00 41.44 ATOM 1240 HG23 VAL 76 -23.654 41.383 -3.481 1.00 70.42 ATOM 1241 C VAL 76 -23.843 40.542 -6.749 1.00 1.13 ATOM 1242 O VAL 76 -24.574 41.528 -6.652 1.00 24.51 ATOM 1243 N ALA 77 -23.228 40.205 -7.878 1.00 10.42 ATOM 1244 HN ALA 77 -22.639 39.415 -7.898 1.00 36.88 ATOM 1245 CA ALA 77 -23.382 40.992 -9.095 1.00 72.34 ATOM 1246 HA ALA 77 -23.069 41.981 -8.887 1.00 74.42 ATOM 1247 CB ALA 77 -22.486 40.443 -10.195 1.00 65.22 ATOM 1248 HB1 ALA 77 -21.463 40.430 -9.849 1.00 22.32 ATOM 1249 HB2 ALA 77 -22.559 41.071 -11.072 1.00 22.52 ATOM 1250 HB3 ALA 77 -22.791 39.437 -10.446 1.00 33.24 ATOM 1251 C ALA 77 -24.836 41.011 -9.556 1.00 1.22 ATOM 1252 O ALA 77 -25.266 41.936 -10.244 1.00 15.33 ATOM 1253 N ALA 78 -25.587 39.984 -9.172 1.00 40.05 ATOM 1254 HN ALA 78 -25.186 39.243 -8.665 1.00 36.88 ATOM 1255 CA ALA 78 -26.993 39.884 -9.545 1.00 44.42 ATOM 1256 HA ALA 78 -27.046 39.746 -10.616 1.00 11.24 ATOM 1257 CB ALA 78 -27.630 38.673 -8.881 1.00 13.34 ATOM 1258 HB1 ALA 78 -28.656 38.575 -9.209 1.00 12.02 ATOM 1259 HB2 ALA 78 -27.604 38.791 -7.807 1.00 61.54 ATOM 1260 HB3 ALA 78 -27.081 37.785 -9.156 1.00 72.52 ATOM 1261 C ALA 78 -27.750 41.154 -9.173 1.00 54.44 ATOM 1262 O ALA 78 -28.732 41.514 -9.823 1.00 11.03 ATOM 1263 N GLN 79 -27.288 41.828 -8.125 1.00 55.21 ATOM 1264 HN GLN 79 -26.524 41.482 -7.611 1.00 36.88 ATOM 1265 CA GLN 79 -27.925 43.058 -7.667 1.00 22.40 ATOM 1266 HA GLN 79 -28.985 42.999 -7.876 1.00 5.44 ATOM 1267 CB GLN 79 -27.715 43.235 -6.162 1.00 50.32 ATOM 1268 HB1 GLN 79 -28.004 44.238 -5.873 1.00 36.88 ATOM 1269 HB2 GLN 79 -26.669 43.094 -5.936 1.00 31.23 ATOM 1270 CG GLN 79 -28.518 42.260 -5.317 1.00 13.24 ATOM 1271 HG1 GLN 79 -28.367 42.499 -4.274 1.00 36.88 ATOM 1272 HG2 GLN 79 -28.163 41.259 -5.511 1.00 63.31 ATOM 1273 CD GLN 79 -30.003 42.313 -5.617 1.00 13.52 ATOM 1274 OE1 GLN 79 -30.560 41.395 -6.220 1.00 2.40 ATOM 1275 NE2 GLN 79 -30.654 43.392 -5.196 1.00 73.32 ATOM 1276 HE21 GLN 79 -30.158 44.095 -4.719 1.00 75.22 ATOM 1277 HE22 GLN 79 -31.615 43.445 -5.380 1.00 75.33 ATOM 1278 C GLN 79 -27.374 44.267 -8.415 1.00 53.14 ATOM 1279 O GLN 79 -28.062 45.275 -8.577 1.00 25.51 ATOM 1280 N ASN 80 -26.130 44.160 -8.870 1.00 20.52 ATOM 1281 HN ASN 80 -25.622 43.346 -8.708 1.00 36.88 ATOM 1282 CA ASN 80 -25.487 45.245 -9.601 1.00 4.34 ATOM 1283 HA ASN 80 -26.158 46.093 -9.652 1.00 64.24 ATOM 1284 CB ASN 80 -24.211 45.687 -8.881 1.00 65.50 ATOM 1285 HB1 ASN 80 -24.490 46.194 -7.968 1.00 36.88 ATOM 1286 HB2 ASN 80 -23.654 46.376 -9.504 1.00 54.43 ATOM 1287 CG ASN 80 -23.319 44.516 -8.514 1.00 74.41 ATOM 1288 OD1 ASN 80 -23.564 43.820 -7.528 1.00 2.30 ATOM 1289 ND2 ASN 80 -22.279 44.292 -9.309 1.00 1.55 ATOM 1290 HD21 ASN 80 -22.137 44.877 -10.087 1.00 52.32 ATOM 1291 HD22 ASN 80 -21.678 43.554 -9.080 1.00 3.50 ATOM 1292 C ASN 80 -25.158 44.820 -11.028 1.00 44.04 ATOM 1293 O ASN 80 -24.006 44.892 -11.459 1.00 32.42 ATOM 1294 N TYR 81 -26.176 44.378 -11.758 1.00 10.24 ATOM 1295 HN TYR 81 -27.082 44.356 -11.367 1.00 36.88 ATOM 1296 CA TYR 81 -25.995 43.940 -13.136 1.00 73.44 ATOM 1297 HA TYR 81 -24.940 43.752 -13.304 1.00 51.45 ATOM 1298 CB TYR 81 -26.775 42.648 -13.389 1.00 55.43 ATOM 1299 HB1 TYR 81 -27.807 42.881 -13.632 1.00 36.88 ATOM 1300 HB2 TYR 81 -26.761 42.050 -12.486 1.00 73.23 ATOM 1301 CG TYR 81 -26.195 41.797 -14.495 1.00 64.34 ATOM 1302 CD1 TYR 81 -24.920 41.254 -14.385 1.00 53.32 ATOM 1303 HD1 TYR 81 -24.338 41.447 -13.494 1.00 43.21 ATOM 1304 CD2 TYR 81 -26.921 41.534 -15.650 1.00 61.34 ATOM 1305 HD2 TYR 81 -27.915 41.946 -15.755 1.00 0.14 ATOM 1306 CE1 TYR 81 -24.385 40.476 -15.394 1.00 15.43 ATOM 1307 HE1 TYR 81 -23.393 40.063 -15.289 1.00 3.13 ATOM 1308 CE2 TYR 81 -26.395 40.756 -16.663 1.00 64.54 ATOM 1309 HE2 TYR 81 -26.972 40.563 -17.552 1.00 53.20 ATOM 1310 CZ TYR 81 -25.126 40.230 -16.531 1.00 35.44 ATOM 1311 OH TYR 81 -24.598 39.454 -17.537 1.00 22.02 ATOM 1312 HH TYR 81 -24.361 40.008 -18.287 1.00 14.03 ATOM 1313 C TYR 81 -26.446 45.019 -14.115 1.00 53.52 ATOM 1314 O TYR 81 -27.142 45.963 -13.739 1.00 21.13 ATOM 1315 N ARG 82 -26.045 44.873 -15.374 1.00 10.03 ATOM 1316 HN ARG 82 -25.484 44.102 -15.619 1.00 36.88 ATOM 1317 CA ARG 82 -26.406 45.835 -16.408 1.00 15.13 ATOM 1318 HA ARG 82 -26.456 46.823 -15.962 1.00 72.42 ATOM 1319 CB ARG 82 -25.350 45.848 -17.514 1.00 3.33 ATOM 1320 HB1 ARG 82 -25.726 46.385 -18.373 1.00 36.88 ATOM 1321 HB2 ARG 82 -25.147 44.828 -17.807 1.00 52.14 ATOM 1322 CG ARG 82 -24.035 46.485 -17.093 1.00 14.22 ATOM 1323 HG1 ARG 82 -23.437 45.738 -16.600 1.00 36.88 ATOM 1324 HG2 ARG 82 -24.233 47.300 -16.407 1.00 14.30 ATOM 1325 CD ARG 82 -23.273 47.032 -18.289 1.00 40.34 ATOM 1326 HD1 ARG 82 -23.971 47.487 -18.982 1.00 36.88 ATOM 1327 HD2 ARG 82 -22.766 46.217 -18.785 1.00 61.45 ATOM 1328 NE ARG 82 -22.294 48.044 -17.899 1.00 73.51 ATOM 1329 HE ARG 82 -22.481 48.974 -18.155 1.00 53.41 ATOM 1330 CZ ARG 82 -21.182 47.769 -17.226 1.00 72.04 ATOM 1331 NH1 ARG 82 -20.909 46.521 -16.872 1.00 11.03 ATOM 1332 HH11 ARG 82 -21.505 45.764 -17.103 1.00 51.34 ATOM 1333 HH12 ARG 82 -20.073 46.331 -16.353 1.00 74.22 ATOM 1334 NH2 ARG 82 -20.340 48.744 -16.908 1.00 34.14 ATOM 1335 HH21 ARG 82 -20.540 49.689 -17.174 1.00 22.14 ATOM 1336 HH22 ARG 82 -19.501 48.540 -16.400 1.00 50.34 ATOM 1337 C ARG 82 -27.774 45.508 -17.000 1.00 52.41 ATOM 1338 O ARG 82 -28.450 44.580 -16.555 1.00 52.53 ATOM 1339 N LYS 83 -28.176 46.278 -18.006 1.00 75.41 ATOM 1340 HN LYS 83 -27.612 47.026 -18.309 1.00 36.88 ATOM 1341 CA LYS 83 -29.463 46.071 -18.661 1.00 23.00 ATOM 1342 HA LYS 83 -30.147 45.607 -17.958 1.00 61.24 ATOM 1343 CB LYS 83 -30.056 47.412 -19.100 1.00 30.42 ATOM 1344 HB1 LYS 83 -30.947 47.226 -19.690 1.00 36.88 ATOM 1345 HB2 LYS 83 -29.330 47.921 -19.710 1.00 71.43 ATOM 1346 CG LYS 83 -30.429 48.320 -17.941 1.00 44.31 ATOM 1347 HG1 LYS 83 -29.525 48.670 -17.461 1.00 36.88 ATOM 1348 HG2 LYS 83 -31.016 47.755 -17.229 1.00 1.42 ATOM 1349 CD LYS 83 -31.254 49.508 -18.407 1.00 31.11 ATOM 1350 HD1 LYS 83 -31.762 49.928 -17.551 1.00 36.88 ATOM 1351 HD2 LYS 83 -31.990 49.184 -19.131 1.00 51.23 ATOM 1352 CE LYS 83 -30.379 50.586 -19.027 1.00 2.55 ATOM 1353 HE1 LYS 83 -29.447 50.662 -18.480 1.00 36.88 ATOM 1354 HE2 LYS 83 -30.903 51.528 -18.963 1.00 12.45 ATOM 1355 NZ LYS 83 -30.082 50.305 -20.458 1.00 42.03 ATOM 1356 HZ1 LYS 83 -29.183 49.793 -20.542 1.00 64.01 ATOM 1357 HZ2 LYS 83 -29.998 51.200 -20.980 1.00 42.32 ATOM 1358 HZ3 LYS 83 -30.837 49.737 -20.901 1.00 2.40 ATOM 1359 C LYS 83 -29.317 45.148 -19.867 1.00 12.41 ATOM 1360 O LYS 83 -29.486 45.574 -21.010 1.00 31.13 ATOM 1361 N ARG 84 -29.004 43.884 -19.604 1.00 74.33 ATOM 1362 HN ARG 84 -28.864 43.613 -18.666 1.00 36.88 ATOM 1363 CA ARG 84 -28.837 42.901 -20.669 1.00 2.35 ATOM 1364 HA ARG 84 -28.002 43.210 -21.282 1.00 63.32 ATOM 1365 CB ARG 84 -28.533 41.524 -20.077 1.00 33.32 ATOM 1366 HB1 ARG 84 -27.546 41.559 -19.637 1.00 36.88 ATOM 1367 HB2 ARG 84 -28.523 40.789 -20.874 1.00 31.22 ATOM 1368 CG ARG 84 -29.512 41.096 -18.995 1.00 52.15 ATOM 1369 HG1 ARG 84 -30.298 41.822 -18.882 1.00 36.88 ATOM 1370 HG2 ARG 84 -28.981 41.012 -18.061 1.00 14.12 ATOM 1371 CD ARG 84 -30.144 39.750 -19.316 1.00 43.52 ATOM 1372 HD1 ARG 84 -30.401 39.711 -20.368 1.00 36.88 ATOM 1373 HD2 ARG 84 -31.045 39.649 -18.728 1.00 51.11 ATOM 1374 NE ARG 84 -29.252 38.638 -18.999 1.00 51.03 ATOM 1375 HE ARG 84 -28.368 38.849 -18.616 1.00 5.23 ATOM 1376 CZ ARG 84 -29.568 37.363 -19.199 1.00 42.30 ATOM 1377 NH1 ARG 84 -30.747 37.042 -19.713 1.00 30.43 ATOM 1378 HH11 ARG 84 -31.415 37.743 -19.958 1.00 73.10 ATOM 1379 HH12 ARG 84 -30.977 36.078 -19.861 1.00 62.12 ATOM 1380 NH2 ARG 84 -28.703 36.407 -18.885 1.00 42.32 ATOM 1381 HH21 ARG 84 -27.810 36.643 -18.497 1.00 22.00 ATOM 1382 HH22 ARG 84 -28.939 35.445 -19.035 1.00 13.43 ATOM 1383 C ARG 84 -30.086 42.828 -21.542 1.00 62.40 ATOM 1384 O ARG 84 -30.002 42.580 -22.745 1.00 43.22 ATOM 1385 N LYS 85 -31.244 43.044 -20.928 1.00 73.52 ATOM 1386 HN LYS 85 -31.261 43.232 -19.964 1.00 36.88 ATOM 1387 CA LYS 85 -32.511 43.003 -21.648 1.00 75.33 ATOM 1388 HA LYS 85 -32.656 41.984 -21.987 1.00 42.44 ATOM 1389 CB LYS 85 -33.662 43.398 -20.720 1.00 31.11 ATOM 1390 HB1 LYS 85 -33.764 44.476 -20.706 1.00 36.88 ATOM 1391 HB2 LYS 85 -33.434 43.067 -19.713 1.00 23.32 ATOM 1392 CG LYS 85 -35.001 42.805 -21.124 1.00 62.10 ATOM 1393 HG1 LYS 85 -35.153 42.953 -22.185 1.00 36.88 ATOM 1394 HG2 LYS 85 -35.778 43.322 -20.577 1.00 24.31 ATOM 1395 CD LYS 85 -35.069 41.319 -20.814 1.00 63.11 ATOM 1396 HD1 LYS 85 -34.590 41.123 -19.862 1.00 36.88 ATOM 1397 HD2 LYS 85 -34.557 40.776 -21.593 1.00 72.30 ATOM 1398 CE LYS 85 -36.507 40.830 -20.740 1.00 12.21 ATOM 1399 HE1 LYS 85 -36.959 40.931 -21.716 1.00 36.88 ATOM 1400 HE2 LYS 85 -37.050 41.435 -20.027 1.00 35.44 ATOM 1401 NZ LYS 85 -36.588 39.405 -20.315 1.00 3.31 ATOM 1402 HZ1 LYS 85 -36.082 38.796 -20.991 1.00 70.44 ATOM 1403 HZ2 LYS 85 -37.582 39.103 -20.275 1.00 14.20 ATOM 1404 HZ3 LYS 85 -36.166 39.284 -19.371 1.00 72.50 ATOM 1405 C LYS 85 -32.480 43.930 -22.859 1.00 5.12 ATOM 1406 O LYS 85 -31.831 44.977 -22.835 1.00 10.13 ATOM 1407 N LEU 86 -33.184 43.541 -23.916 1.00 20.55 ATOM 1408 HN LEU 86 -33.723 42.721 -23.864 1.00 36.88 ATOM 1409 CA LEU 86 -33.238 44.338 -25.136 1.00 4.22 ATOM 1410 HA LEU 86 -32.740 45.285 -24.970 1.00 32.20 ATOM 1411 CB LEU 86 -32.523 43.611 -26.276 1.00 22.21 ATOM 1412 HB1 LEU 86 -31.470 43.566 -26.028 1.00 36.88 ATOM 1413 HB2 LEU 86 -32.621 44.217 -27.170 1.00 5.44 ATOM 1414 CG LEU 86 -33.015 42.196 -26.582 1.00 61.21 ATOM 1415 HG LEU 86 -34.076 42.140 -26.411 1.00 4.12 ATOM 1416 CD1 LEU 86 -32.765 41.848 -28.041 1.00 64.23 ATOM 1417 HD11 LEU 86 -33.139 40.854 -28.246 1.00 12.13 ATOM 1418 HD12 LEU 86 -31.704 41.881 -28.248 1.00 54.21 ATOM 1419 HD13 LEU 86 -33.276 42.559 -28.676 1.00 35.33 ATOM 1420 CD2 LEU 86 -32.338 41.186 -25.667 1.00 65.13 ATOM 1421 HD21 LEU 86 -31.263 41.293 -25.738 1.00 63.42 ATOM 1422 HD22 LEU 86 -32.612 40.184 -25.970 1.00 4.52 ATOM 1423 HD23 LEU 86 -32.643 41.329 -24.652 1.00 45.13 ATOM 1424 C LEU 86 -34.681 44.632 -25.531 1.00 11.40 ATOM 1425 O LEU 86 -35.618 44.143 -24.902 1.00 35.20 ATOM 1426 N GLU 87 -34.851 45.433 -26.578 1.00 51.52 ATOM 1427 HN GLU 87 -34.062 45.793 -27.048 1.00 36.88 ATOM 1428 CA GLU 87 -36.181 45.791 -27.058 1.00 0.13 ATOM 1429 HA GLU 87 -36.857 45.818 -26.209 1.00 24.44 ATOM 1430 CB GLU 87 -36.157 47.175 -27.711 1.00 30.43 ATOM 1431 HB1 GLU 87 -35.699 47.105 -28.691 1.00 36.88 ATOM 1432 HB2 GLU 87 -35.558 47.834 -27.097 1.00 12.21 ATOM 1433 CG GLU 87 -37.533 47.803 -27.857 1.00 22.32 ATOM 1434 HG1 GLU 87 -37.910 48.043 -26.873 1.00 36.88 ATOM 1435 HG2 GLU 87 -38.195 47.093 -28.332 1.00 62.40 ATOM 1436 CD GLU 87 -37.511 49.068 -28.692 1.00 62.13 ATOM 1437 OE1 GLU 87 -38.111 50.074 -28.260 1.00 11.22 ATOM 1438 OE2 GLU 87 -36.894 49.052 -29.778 1.00 12.11 ATOM 1439 C GLU 87 -36.697 44.756 -28.053 1.00 32.32 ATOM 1440 O GLU 87 -36.949 45.068 -29.217 1.00 61.43 ATOM 1441 N THR 88 -36.852 43.521 -27.586 1.00 34.41 ATOM 1442 HN THR 88 -36.658 43.331 -26.641 1.00 36.88 ATOM 1443 CA THR 88 -37.336 42.438 -28.433 1.00 54.35 ATOM 1444 HA THR 88 -36.580 42.252 -29.189 1.00 43.42 ATOM 1445 CB THR 88 -37.552 41.145 -27.625 1.00 14.21 ATOM 1446 HB THR 88 -38.239 40.496 -28.158 1.00 62.52 ATOM 1447 OG1 THR 88 -38.108 41.456 -26.342 1.00 54.45 ATOM 1448 HG1 THR 88 -38.588 40.695 -26.004 1.00 23.04 ATOM 1449 CG2 THR 88 -36.242 40.393 -27.446 1.00 51.43 ATOM 1450 HG21 THR 88 -35.638 40.899 -26.716 1.00 30.55 ATOM 1451 HG22 THR 88 -35.709 40.342 -28.386 1.00 11.24 ATOM 1452 HG23 THR 88 -36.451 39.391 -27.102 1.00 75.43 ATOM 1453 C THR 88 -38.643 42.820 -29.119 1.00 73.44 ATOM 1454 O THR 88 -39.637 43.123 -28.458 1.00 4.20 ATOM 1455 N ILE 89 -38.636 42.801 -30.448 1.00 0.20 ATOM 1456 HN ILE 89 -37.809 42.547 -30.911 1.00 36.88 ATOM 1457 CA ILE 89 -39.822 43.143 -31.223 1.00 13.43 ATOM 1458 HA ILE 89 -40.313 43.987 -30.744 1.00 42.42 ATOM 1459 CB ILE 89 -39.456 43.555 -32.661 1.00 31.30 ATOM 1460 HB ILE 89 -40.372 43.720 -33.216 1.00 33.33 ATOM 1461 CG1 ILE 89 -38.644 42.450 -33.339 1.00 63.24 ATOM 1462 HG11 ILE 89 -39.110 41.490 -33.182 1.00 36.88 ATOM 1463 HG12 ILE 89 -37.645 42.424 -32.931 1.00 50.03 ATOM 1464 CG2 ILE 89 -38.680 44.863 -32.656 1.00 51.33 ATOM 1465 HG21 ILE 89 -37.754 44.736 -32.112 1.00 32.05 ATOM 1466 HG22 ILE 89 -39.272 45.633 -32.181 1.00 3.43 ATOM 1467 HG23 ILE 89 -38.462 45.160 -33.672 1.00 52.25 ATOM 1468 CD1 ILE 89 -38.510 42.630 -34.835 1.00 72.24 ATOM 1469 HD11 ILE 89 -39.492 42.696 -35.281 1.00 5.23 ATOM 1470 HD12 ILE 89 -37.982 41.785 -35.252 1.00 54.14 ATOM 1471 HD13 ILE 89 -37.959 43.534 -35.043 1.00 43.33 ATOM 1472 C ILE 89 -40.801 41.976 -31.274 1.00 34.55 ATOM 1473 O ILE 89 -40.398 40.812 -31.269 1.00 51.45 ATOM 1474 N VAL 90 -42.091 42.293 -31.323 1.00 52.42 ATOM 1475 HN VAL 90 -42.356 43.244 -31.310 1.00 36.88 ATOM 1476 CA VAL 90 -43.129 41.271 -31.378 1.00 71.12 ATOM 1477 HA VAL 90 -42.778 40.468 -32.022 1.00 72.15 ATOM 1478 CB VAL 90 -43.413 40.684 -29.983 1.00 14.13 ATOM 1479 HB VAL 90 -42.481 40.333 -29.565 1.00 60.30 ATOM 1480 CG1 VAL 90 -43.977 41.753 -29.059 1.00 22.14 ATOM 1481 HG11 VAL 90 -44.028 41.360 -28.054 1.00 44.12 ATOM 1482 HG12 VAL 90 -44.970 42.040 -29.375 1.00 70.22 ATOM 1483 HG13 VAL 90 -43.333 42.622 -29.065 1.00 11.10 ATOM 1484 CG2 VAL 90 -44.365 39.502 -30.086 1.00 63.42 ATOM 1485 HG21 VAL 90 -44.471 39.043 -29.113 1.00 51.14 ATOM 1486 HG22 VAL 90 -43.968 38.773 -30.779 1.00 61.11 ATOM 1487 HG23 VAL 90 -45.335 39.832 -30.430 1.00 73.33 ATOM 1488 C VAL 90 -44.424 41.832 -31.955 1.00 2.42 ATOM 1489 O VAL 90 -44.795 42.972 -31.676 1.00 53.02 ATOM 1490 N GLN 91 -45.106 41.024 -32.759 1.00 54.13 ATOM 1491 HN GLN 91 -44.755 40.124 -32.958 1.00 36.88 ATOM 1492 HA GLN 91 -46.748 42.297 -32.832 1.00 0.12 ATOM 1493 CB GLN 91 -46.129 41.838 -34.835 1.00 30.44 ATOM 1494 HB1 GLN 91 -46.167 40.959 -35.466 1.00 36.88 ATOM 1495 HB2 GLN 91 -45.143 42.280 -34.919 1.00 3.15 ATOM 1496 CG GLN 91 -47.139 42.846 -35.359 1.00 31.43 ATOM 1497 HG1 GLN 91 -47.171 43.693 -34.687 1.00 36.88 ATOM 1498 HG2 GLN 91 -48.111 42.378 -35.392 1.00 61.22 ATOM 1499 CD GLN 91 -46.797 43.346 -36.748 1.00 41.31 ATOM 1500 OE1 GLN 91 -47.439 42.974 -37.730 1.00 71.34 ATOM 1501 NE2 GLN 91 -45.780 44.196 -36.838 1.00 15.13 ATOM 1502 HE21 GLN 91 -45.302 44.460 -36.019 1.00 21.43 ATOM 1503 HE22 GLN 91 -45.543 44.531 -37.728 1.00 71.15 ATOM 1504 CA GLN 91 -46.360 41.441 -33.375 1.00 54.15 ATOM 1505 C GLN 91 -47.401 40.329 -33.297 1.00 55.33 ATOM 1506 OT1 GLN 91 -47.110 39.207 -33.768 1.00 36.88 ATOM 1507 OT2 GLN 91 -48.503 40.585 -32.766 1.00 36.88 ATOM 1508 OH2 TIP3 1 -47.194 35.966 -39.246 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -46.574 35.289 -39.519 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -47.402 35.748 -38.338 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -46.496 33.023 -36.525 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -46.737 33.685 -35.877 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -46.694 32.189 -36.100 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -40.141 33.630 -31.922 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -40.190 32.675 -31.959 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -40.967 33.898 -31.520 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -49.162 33.204 -33.046 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -49.075 34.030 -32.571 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -50.026 32.874 -32.797 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -46.291 32.626 -33.183 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -47.192 32.809 -33.451 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -46.257 32.885 -32.262 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -50.619 34.605 -35.305 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -50.256 35.460 -35.538 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -50.087 34.313 -34.564 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -44.416 35.256 -33.135 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -45.018 34.701 -33.630 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -44.135 35.923 -33.761 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -43.146 35.510 -37.168 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -43.302 36.188 -37.825 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -42.214 35.582 -36.965 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -52.835 35.100 -29.320 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -52.067 34.641 -28.979 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -52.856 34.874 -30.250 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -46.258 33.480 -30.591 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -46.609 32.624 -30.348 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -45.532 33.623 -29.984 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -40.430 36.160 -36.939 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -40.452 36.345 -36.000 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -39.740 36.729 -37.280 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -40.867 35.727 -34.017 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -41.354 34.992 -34.388 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -40.318 35.334 -33.339 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -42.475 33.490 -34.786 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -43.123 33.815 -34.161 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -42.993 33.050 -35.461 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -49.042 35.553 -31.606 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -48.857 35.219 -30.728 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -48.195 35.862 -31.928 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -53.484 37.010 -35.488 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -54.349 37.082 -35.084 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -53.539 37.557 -36.272 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -51.858 35.213 -38.104 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -51.645 34.325 -38.391 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -51.793 35.179 -37.149 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -42.494 34.781 -31.209 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -43.276 34.595 -31.729 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -42.566 35.710 -30.992 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -41.058 33.399 -28.044 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -40.985 34.338 -27.874 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -40.153 33.094 -28.101 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -48.748 36.976 -24.384 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -48.823 36.855 -25.330 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -48.715 37.926 -24.265 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -45.646 36.130 -27.381 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -45.271 35.386 -27.852 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -45.642 35.860 -26.463 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -45.977 36.056 -24.632 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -46.912 36.156 -24.453 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -45.697 35.347 -24.054 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -42.264 33.657 -25.495 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -42.637 32.831 -25.185 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -41.987 33.474 -26.392 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -40.368 36.113 -27.473 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -39.625 36.699 -27.613 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -41.063 36.681 -27.140 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -43.146 35.510 -18.312 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -43.302 36.188 -18.969 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -42.214 35.582 -18.109 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -48.743 34.608 -29.089 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -49.387 33.977 -28.767 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -47.981 34.077 -29.321 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -44.139 34.425 -28.855 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -43.856 33.631 -28.402 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -43.399 34.658 -29.416 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -51.066 37.241 -27.428 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -50.133 37.399 -27.284 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -51.330 37.916 -28.053 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -40.430 36.160 -18.083 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -40.452 36.345 -17.144 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -39.740 36.729 -18.424 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -40.867 35.727 -15.161 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -41.354 34.992 -15.532 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -40.318 35.334 -14.483 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -48.421 36.467 -27.183 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -47.555 36.833 -27.361 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -48.668 36.027 -27.996 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -41.712 36.030 -24.503 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -41.906 35.282 -25.068 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -41.751 36.788 -25.087 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -46.944 47.523 -41.179 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -46.855 48.467 -41.311 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -47.583 47.248 -41.837 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -44.305 49.717 -39.458 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -44.746 48.997 -39.008 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -44.318 50.438 -38.828 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -49.622 49.211 -37.354 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -49.318 48.525 -37.948 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -48.900 49.329 -36.736 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -53.326 41.706 -39.754 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -53.283 42.566 -40.172 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -53.784 41.154 -40.387 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -45.604 41.837 -41.353 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -44.958 41.508 -40.728 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -45.094 42.355 -41.976 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -51.550 45.653 -39.776 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -50.934 45.127 -39.267 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -52.136 45.013 -40.180 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -54.516 40.624 -35.680 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -54.735 41.154 -36.446 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -55.184 40.851 -35.032 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -51.947 48.300 -35.392 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -52.687 48.898 -35.289 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -51.233 48.854 -35.708 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -43.840 41.128 -39.372 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -44.055 40.362 -38.840 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -43.184 41.600 -38.859 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -54.922 42.516 -37.727 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -54.309 43.149 -37.354 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -54.410 42.044 -38.384 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -43.793 51.557 -37.110 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -44.735 51.615 -36.949 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -43.517 52.463 -37.247 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -50.490 37.930 -38.227 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -50.607 36.981 -38.281 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -51.345 38.262 -37.954 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -42.696 49.805 -33.499 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -42.556 49.214 -34.238 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -42.528 50.678 -33.855 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -48.223 46.767 -43.727 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -48.935 47.302 -44.078 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -47.532 46.823 -44.387 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -44.817 46.977 -42.775 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -45.549 47.205 -42.202 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -44.370 46.263 -42.320 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -52.805 46.376 -37.259 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -52.240 46.497 -38.022 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -52.486 47.013 -36.620 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -46.496 51.879 -36.525 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -46.737 52.541 -35.877 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -46.694 51.045 -36.100 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -40.141 52.486 -31.922 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -40.190 51.531 -31.959 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -40.967 52.754 -31.520 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -53.221 38.833 -37.449 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -54.082 38.746 -37.857 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -53.243 39.689 -37.022 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -53.130 43.799 -36.354 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -53.772 43.758 -35.645 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -53.093 44.725 -36.592 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -53.133 44.020 -41.442 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -54.026 43.679 -41.501 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -52.682 43.643 -42.198 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -47.597 44.436 -42.625 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -48.006 45.251 -42.917 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -46.877 44.296 -43.240 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -48.495 44.611 -31.137 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -49.058 43.907 -30.817 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -47.669 44.491 -30.670 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -55.380 44.119 -34.487 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -55.418 44.519 -33.619 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -55.871 43.302 -34.397 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -50.551 41.447 -40.356 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -51.462 41.504 -40.067 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -50.046 41.387 -39.545 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -52.070 43.076 -43.873 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -51.138 43.205 -43.695 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -52.285 43.746 -44.522 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -42.911 47.969 -35.584 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -42.269 48.426 -36.127 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -43.741 48.082 -36.046 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -48.541 49.020 -33.133 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -48.887 48.639 -32.327 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -48.741 49.954 -33.062 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -45.445 43.517 -44.510 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -44.553 43.380 -44.191 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -45.388 44.308 -45.047 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -50.911 46.109 -31.073 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -51.207 45.943 -31.968 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -49.980 45.889 -31.083 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -40.596 49.527 -31.979 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -41.448 49.765 -32.346 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -40.006 49.510 -32.732 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -47.075 49.560 -35.604 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -47.501 49.333 -34.778 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -46.494 48.822 -35.787 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -56.294 41.345 -33.728 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -57.187 41.684 -33.795 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -56.393 40.490 -33.310 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -46.775 40.738 -43.741 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -46.555 41.210 -44.544 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -46.217 41.133 -43.070 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -49.575 42.466 -42.906 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -48.763 42.970 -42.860 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -49.820 42.321 -41.992 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -48.691 39.547 -41.968 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -49.038 40.165 -41.323 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -48.033 40.048 -42.449 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -45.135 48.733 -33.170 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -44.390 49.321 -33.290 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -45.892 49.315 -33.107 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -52.746 45.056 -33.192 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -53.364 45.731 -32.911 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -52.402 45.377 -34.025 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -47.726 47.527 -29.914 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -46.773 47.611 -29.942 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -47.886 46.816 -29.295 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -52.406 42.411 -32.109 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -52.256 41.682 -32.712 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -52.404 43.188 -32.668 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -50.412 46.220 -34.377 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -49.661 46.064 -34.950 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -50.751 47.072 -34.653 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -53.928 43.609 -30.198 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -54.695 43.077 -30.408 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -53.249 43.299 -30.797 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -55.747 41.530 -30.493 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -55.536 40.823 -31.104 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -55.859 41.092 -29.649 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -50.966 37.531 -31.514 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -50.254 36.891 -31.528 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -51.067 37.798 -32.428 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -50.613 39.214 -29.460 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -50.744 38.738 -30.281 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -51.212 39.958 -29.516 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -40.867 54.583 -34.017 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -41.354 53.848 -34.388 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -40.318 54.190 -33.339 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -42.416 50.373 -29.379 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -43.282 50.268 -28.985 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -42.040 51.132 -28.932 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -40.721 46.683 -42.041 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -41.447 46.204 -41.643 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -40.140 46.889 -41.309 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -40.962 49.468 -37.093 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -40.128 49.090 -37.374 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -40.850 50.411 -37.212 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -42.934 45.204 -41.478 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -43.084 44.259 -41.498 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -43.288 45.485 -40.634 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -42.078 47.174 -31.839 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -41.495 46.440 -31.648 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -41.514 47.946 -31.793 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -43.224 42.787 -43.016 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -42.944 41.880 -42.891 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -42.465 43.221 -43.405 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -42.610 40.050 -42.967 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -42.428 39.601 -42.142 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -43.210 39.465 -43.431 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -43.207 37.840 -38.847 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -42.603 38.388 -39.348 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -44.076 38.160 -39.087 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -41.480 38.979 -40.513 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -40.868 38.465 -41.040 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -41.097 39.857 -40.490 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -51.443 38.294 -41.324 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -50.569 38.682 -41.354 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -51.579 38.079 -40.401 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -45.886 38.324 -39.675 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -45.810 38.419 -40.624 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -46.162 37.416 -39.546 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -50.299 40.374 -44.434 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -50.121 39.728 -43.751 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -50.353 41.208 -43.967 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -56.065 38.881 -31.620 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -56.431 38.116 -31.177 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -55.152 38.910 -31.333 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -54.092 38.232 -30.084 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -53.193 37.958 -30.269 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -54.478 37.489 -29.620 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -42.494 53.637 -31.209 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -43.276 53.451 -31.729 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -42.566 54.566 -30.992 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -40.959 40.812 -17.637 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -40.910 41.422 -16.901 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -40.533 41.273 -18.360 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -45.604 41.837 -22.497 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -44.958 41.508 -21.872 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -45.094 42.355 -23.120 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -40.567 42.290 -15.401 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -41.256 42.948 -15.496 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -40.552 42.093 -14.464 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -43.840 41.128 -20.516 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -44.055 40.362 -19.984 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -43.184 41.600 -20.003 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -43.493 39.843 -16.837 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -44.229 40.454 -16.875 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -42.809 40.258 -17.363 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -48.223 46.767 -24.871 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -48.935 47.302 -25.222 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -47.532 46.823 -25.531 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -48.169 45.225 -27.832 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -47.468 45.247 -27.181 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -47.867 44.597 -28.488 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -44.817 46.977 -23.919 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -45.549 47.205 -23.346 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -44.370 46.263 -23.464 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -45.946 46.139 -26.234 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -45.367 46.289 -25.487 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -45.532 46.610 -26.957 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -42.248 37.889 -26.421 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -43.147 38.028 -26.126 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -41.996 38.720 -26.823 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -44.469 47.172 -28.604 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -44.427 46.949 -29.534 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -43.620 47.570 -28.414 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -48.896 41.048 -27.934 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -49.150 41.067 -27.011 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -49.153 40.176 -28.235 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -47.597 44.436 -23.769 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -48.006 45.251 -24.061 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -46.877 44.296 -24.384 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -52.014 41.493 -28.833 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -52.445 41.048 -28.103 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -52.732 41.865 -29.345 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -45.445 43.517 -25.654 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -44.553 43.380 -25.335 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -45.388 44.308 -26.191 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -42.264 52.513 -25.495 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -42.637 51.687 -25.185 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -41.987 52.330 -26.392 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -44.872 50.489 -27.674 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -44.519 50.109 -26.870 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -45.821 50.396 -27.588 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -40.368 54.969 -27.473 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -39.625 55.555 -27.613 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -41.063 55.537 -27.140 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -44.006 49.162 -25.448 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -44.283 48.434 -24.892 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -43.079 49.281 -25.242 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -46.775 40.738 -24.885 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -46.555 41.210 -25.688 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -46.217 41.133 -24.214 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -49.575 42.466 -24.050 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -48.763 42.970 -24.004 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -49.820 42.321 -23.136 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -48.691 39.547 -23.112 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -49.038 40.165 -22.467 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -48.033 40.048 -23.593 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -53.034 40.610 -26.424 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -53.117 41.499 -26.078 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -52.144 40.345 -26.193 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -44.139 53.281 -28.855 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -43.856 52.487 -28.402 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -43.399 53.514 -29.416 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -50.964 45.406 -28.429 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -51.144 45.252 -29.357 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -50.013 45.514 -28.385 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -41.574 47.761 -28.984 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -41.847 47.336 -29.797 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -41.534 48.692 -29.201 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -41.115 48.630 -25.009 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -40.265 49.051 -24.881 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -41.110 47.890 -24.401 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -40.721 46.683 -23.185 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -41.447 46.204 -22.787 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -40.140 46.889 -22.453 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -42.934 45.204 -22.622 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -43.084 44.259 -22.642 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -43.288 45.485 -21.778 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -43.224 42.787 -24.160 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -42.944 41.880 -24.035 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -42.465 43.221 -24.549 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -42.612 43.368 -18.724 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -41.679 43.580 -18.758 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -42.847 43.470 -17.801 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -42.610 40.050 -24.111 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -42.428 39.601 -23.286 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -43.210 39.465 -24.575 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -41.779 38.284 -14.426 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -42.592 38.609 -14.814 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -41.546 37.524 -14.959 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -43.207 37.840 -19.991 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -42.603 38.388 -20.492 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -44.076 38.160 -20.231 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -41.480 38.979 -21.657 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -40.868 38.465 -22.184 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -41.097 39.857 -21.634 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -44.533 38.350 -25.126 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -45.236 38.964 -25.336 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -44.978 37.512 -24.995 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -50.299 40.374 -25.578 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -50.121 39.728 -24.895 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -50.353 41.208 -25.111 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -41.712 54.886 -24.503 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -41.906 54.138 -25.068 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -41.751 55.644 -25.087 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -40.300 56.941 -29.450 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -39.950 56.287 -30.056 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -40.153 57.778 -29.890 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -21.285 -4.082 24.646 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -21.334 -5.037 24.609 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -22.111 -3.814 25.048 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -22.011 -1.985 22.551 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -22.498 -2.720 22.180 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -21.462 -2.378 23.229 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -24.003 18.642 -11.959 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -23.803 19.066 -12.794 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -23.347 18.985 -11.352 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -25.449 12.005 -1.746 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -25.890 11.285 -1.296 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -25.462 12.726 -1.116 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -28.338 17.110 -1.534 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -27.718 16.433 -1.807 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -28.546 16.892 -0.626 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -24.937 13.845 0.602 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -25.879 13.903 0.763 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -24.661 14.751 0.465 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -26.685 15.626 -2.773 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -26.260 14.919 -3.258 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -26.368 16.427 -3.190 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -25.526 13.527 -4.264 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -25.783 12.837 -4.876 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -25.455 13.084 -3.419 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -23.840 12.093 4.213 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -23.700 11.502 3.474 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -23.672 12.966 3.857 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -27.640 14.167 1.187 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -27.881 14.829 1.835 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -27.838 13.333 1.612 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -29.364 15.164 -3.943 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -28.890 15.459 -3.165 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -29.927 15.902 -4.176 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -21.285 14.774 5.790 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -21.334 13.819 5.753 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -22.111 15.042 6.192 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -30.306 14.348 4.666 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -30.219 15.174 5.141 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -31.170 14.018 4.915 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -27.121 17.200 -5.776 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -28.056 17.300 -5.597 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -26.841 16.491 -5.198 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -29.685 11.308 4.579 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -30.031 10.927 5.385 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -29.885 12.242 4.650 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -27.435 13.770 4.529 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -28.336 13.953 4.261 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -27.401 14.029 5.450 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -31.763 15.749 2.407 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -31.400 16.604 2.174 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -31.231 15.457 3.148 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -28.219 11.848 2.108 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -28.645 11.621 2.934 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -27.638 11.110 1.925 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -21.512 17.257 -8.617 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -20.769 17.843 -8.757 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -22.207 17.825 -8.284 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -27.402 14.624 7.121 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -27.753 13.768 7.364 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -26.676 14.767 7.728 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -26.279 11.021 4.542 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -25.534 11.609 4.422 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -27.036 11.603 4.605 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -23.560 12.661 8.333 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -24.426 12.556 8.727 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -23.184 13.420 8.780 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -22.106 11.756 0.619 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -21.272 11.378 0.338 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -21.994 12.699 0.500 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -23.619 14.634 2.926 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -24.267 14.959 3.551 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -24.137 14.194 2.251 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -24.836 17.394 -3.655 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -24.183 17.047 -4.263 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -24.325 17.883 -3.009 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -30.186 16.697 6.106 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -30.001 16.363 6.984 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -29.339 17.006 5.784 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -34.628 18.154 2.224 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -35.493 18.226 2.628 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -34.683 18.701 1.440 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -33.002 16.357 -0.392 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -32.789 15.469 -0.679 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -32.937 16.323 0.563 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -22.856 17.174 -5.647 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -23.050 16.426 -6.212 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -22.895 17.932 -6.231 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -23.638 15.925 6.503 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -24.420 15.739 5.983 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -23.710 16.854 6.720 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -25.449 12.005 17.110 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -25.890 11.285 17.560 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -25.462 12.726 17.740 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -28.338 17.110 17.322 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -27.718 16.433 17.049 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -28.546 16.892 18.230 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -22.103 3.100 20.075 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -22.054 3.710 20.811 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -21.677 3.561 19.352 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -21.711 4.578 22.311 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -22.400 5.236 22.216 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -21.696 4.381 23.248 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -24.937 13.845 19.458 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -25.879 13.903 19.619 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -24.661 14.751 19.321 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -26.685 15.626 16.083 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -26.260 14.919 15.598 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -26.368 16.427 15.666 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -25.526 13.527 14.592 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -25.783 12.837 13.980 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -25.455 13.084 15.437 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -21.998 8.433 21.135 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -22.650 9.128 21.224 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -21.533 8.643 20.325 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -27.640 14.167 20.043 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -27.881 14.829 20.691 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -27.838 13.333 20.468 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -29.364 15.164 14.913 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -28.890 15.459 15.691 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -29.927 15.902 14.680 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -22.202 14.543 9.668 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -22.129 15.482 9.838 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -21.297 14.238 9.611 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -29.892 18.120 13.328 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -29.967 17.999 12.382 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -29.859 19.070 13.447 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -27.121 17.200 13.080 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -28.056 17.300 13.259 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -26.841 16.491 13.658 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -23.408 14.801 12.217 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -23.781 13.975 12.527 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -23.131 14.618 11.320 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -26.016 12.777 10.038 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -25.663 12.397 10.842 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -26.965 12.684 10.124 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -25.150 11.450 12.264 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -25.427 10.722 12.820 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -24.223 11.569 12.470 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -30.250 15.157 11.690 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -31.067 15.654 11.743 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -29.721 15.632 11.050 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -24.290 16.654 19.400 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -24.446 17.332 18.743 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -23.358 16.726 19.603 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -29.887 15.752 8.623 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -30.531 15.121 8.945 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -29.125 15.221 8.391 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -25.283 15.569 8.857 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -25.000 14.775 9.310 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -24.543 15.802 8.296 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -32.210 18.385 10.284 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -31.277 18.543 10.428 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -32.474 19.060 9.659 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -21.574 17.304 19.629 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -21.596 17.489 20.568 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -20.884 17.873 19.288 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -22.011 16.871 22.551 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -22.498 16.136 22.180 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -21.462 16.478 23.229 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -22.259 10.918 12.703 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -21.409 11.339 12.831 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -22.254 10.178 13.311 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -21.865 8.971 14.527 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -22.591 8.492 14.925 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -21.284 9.177 15.259 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -22.106 11.756 19.475 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -21.272 11.378 19.194 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -21.994 12.699 19.356 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -23.619 14.634 21.782 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -24.267 14.959 22.407 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -24.137 14.194 21.107 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -21.597 8.872 10.918 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -22.118 9.229 10.199 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -21.630 9.547 11.596 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -29.917 18.042 20.256 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -30.374 18.571 19.602 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -29.754 18.645 20.981 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -27.590 16.920 21.201 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -28.494 17.085 20.935 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -27.161 17.773 21.135 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -24.985 18.490 21.496 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -25.167 19.406 21.285 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -24.809 18.080 20.649 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -29.565 17.611 10.529 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -28.699 17.977 10.351 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -29.812 17.171 9.716 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -34.830 33.991 -31.778 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -34.822 33.855 -32.726 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -35.746 33.873 -31.526 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -38.576 36.181 -30.940 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -38.036 35.964 -30.181 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -39.057 35.375 -31.130 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -33.979 35.100 -29.320 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -33.211 34.641 -28.979 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -34.000 34.874 -30.250 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -30.186 35.553 -31.606 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -30.001 35.219 -30.728 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -29.339 35.862 -31.928 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -37.095 37.410 -34.518 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -37.815 37.850 -34.969 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -37.461 37.159 -33.669 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -34.628 37.010 -35.488 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -35.493 37.082 -35.084 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -34.683 37.557 -36.272 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -37.680 36.033 -37.607 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -37.699 35.608 -36.750 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -36.875 35.715 -38.016 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -25.449 30.861 -20.602 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -25.890 30.141 -20.152 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -25.462 31.582 -19.972 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -35.863 31.987 -18.776 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -36.233 31.185 -19.145 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -34.922 31.818 -18.729 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -30.766 30.355 -18.498 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -30.462 29.669 -19.092 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -30.044 30.473 -17.880 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -22.103 21.956 -17.637 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -22.054 22.566 -16.901 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -21.677 22.417 -18.360 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -21.711 23.434 -15.401 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -22.400 24.092 -15.496 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -21.696 23.237 -14.464 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -28.291 31.268 -23.280 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -28.587 30.946 -24.131 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -28.615 32.168 -23.238 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -34.683 31.408 -15.749 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -34.689 32.287 -16.127 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -35.537 31.325 -15.324 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -24.937 32.701 -18.254 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -25.879 32.759 -18.093 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -24.661 33.607 -18.391 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -25.526 32.383 -23.120 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -25.783 31.693 -23.732 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -25.455 31.940 -22.275 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -23.840 30.949 -14.643 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -23.700 30.358 -15.382 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -23.672 31.822 -14.999 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -26.064 26.295 -14.851 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -25.984 27.058 -14.279 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -26.665 26.574 -15.542 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -32.949 32.179 -19.355 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -33.044 31.601 -20.112 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -32.220 31.808 -18.859 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -29.364 34.020 -22.799 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -28.890 34.315 -22.021 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -29.927 34.758 -23.032 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -39.482 32.964 -18.748 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -38.536 32.820 -18.767 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -39.595 33.748 -18.211 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -30.306 33.204 -14.190 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -30.219 34.030 -13.715 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -31.170 32.874 -13.941 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -29.892 36.976 -24.384 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -29.967 36.855 -25.330 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -29.859 37.926 -24.265 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -36.238 35.765 -22.603 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -36.086 35.417 -21.724 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -37.089 35.409 -22.858 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -26.790 36.130 -27.381 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -26.415 35.386 -27.852 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -26.786 35.860 -26.463 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -27.121 36.056 -24.632 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -28.056 36.156 -24.453 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -26.841 35.347 -24.054 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -24.133 25.123 -12.586 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -24.540 25.604 -13.306 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -24.092 24.218 -12.893 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -26.376 23.455 -14.365 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -26.890 23.329 -13.568 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -26.531 24.367 -14.610 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -29.639 25.755 -12.281 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -30.202 25.051 -11.961 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -28.813 25.635 -11.814 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -28.473 26.664 -16.284 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -28.149 26.033 -16.927 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -28.913 26.129 -15.623 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -24.055 29.113 -16.728 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -23.413 29.570 -17.271 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -24.885 29.226 -17.190 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -29.685 30.164 -14.277 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -30.031 29.783 -13.471 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -29.885 31.098 -14.206 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -32.055 27.253 -12.217 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -32.351 27.087 -13.112 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -31.124 27.033 -12.227 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -27.435 32.626 -14.327 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -28.336 32.809 -14.595 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -27.401 32.885 -13.406 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -26.248 28.465 -18.473 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -27.176 28.233 -18.500 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -25.797 27.688 -18.803 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -33.705 32.793 -22.340 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -33.178 33.566 -22.541 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -34.585 33.018 -22.642 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -32.278 30.456 -22.764 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -32.519 31.381 -22.722 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -33.018 29.997 -22.368 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -31.763 34.605 -16.449 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -31.400 35.460 -16.682 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -31.231 34.313 -15.708 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -33.594 35.478 -23.219 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -34.544 35.583 -23.167 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -33.243 36.298 -22.874 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -28.219 30.704 -16.748 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -28.645 30.477 -15.922 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -27.638 29.966 -16.931 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -37.787 34.294 -16.437 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -37.570 33.362 -16.468 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -37.540 34.568 -15.553 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -30.250 34.013 -26.022 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -31.067 34.510 -25.969 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -29.721 34.488 -26.662 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -32.912 35.056 -26.040 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -32.751 35.856 -26.541 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -33.109 35.363 -25.155 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -23.979 22.503 -14.030 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -24.895 22.766 -14.118 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -23.643 22.500 -14.927 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -24.290 35.510 -18.312 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -24.446 36.188 -18.969 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -23.358 35.582 -18.109 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -37.865 33.568 -23.414 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -38.697 34.041 -23.387 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -37.319 34.078 -24.013 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -33.979 35.100 -10.464 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -33.211 34.641 -10.123 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -34.000 34.874 -11.394 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -29.887 34.608 -29.089 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -30.531 33.977 -28.767 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -29.125 34.077 -29.321 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -27.402 33.480 -11.735 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -27.753 32.624 -11.492 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -26.676 33.623 -11.128 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -32.014 29.961 -11.697 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -32.342 30.232 -12.555 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -31.862 29.020 -11.785 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -26.279 29.877 -14.314 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -25.534 30.465 -14.434 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -27.036 30.459 -14.251 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -28.870 28.671 -11.058 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -27.917 28.755 -11.086 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -29.030 27.960 -10.439 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -27.140 25.179 -10.493 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -26.948 24.248 -10.604 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -26.283 25.604 -10.503 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -31.068 23.703 -11.766 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -31.304 23.483 -10.864 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -31.851 23.496 -12.275 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -28.352 22.830 -12.690 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -29.300 22.862 -12.558 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -28.040 22.205 -12.036 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -26.718 21.464 -10.685 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -26.815 20.512 -10.691 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -27.040 21.733 -9.824 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -32.210 37.241 -27.428 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -31.277 37.399 -27.284 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -32.474 37.916 -28.053 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -39.993 37.270 -22.868 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -40.640 36.808 -23.401 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -39.638 36.598 -22.285 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -39.123 35.351 -21.063 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -39.457 34.470 -20.891 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -38.901 35.696 -20.199 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -21.574 36.160 -18.083 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -21.596 36.345 -17.144 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -20.884 36.729 -18.424 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -22.106 30.612 -18.237 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -21.272 30.234 -18.518 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -21.994 31.555 -18.356 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -23.619 33.490 -15.930 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -24.267 33.815 -15.305 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -24.137 33.050 -16.605 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -23.756 24.512 -18.724 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -22.823 24.724 -18.758 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -23.991 24.614 -17.801 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -23.727 25.249 -15.948 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -24.570 25.517 -15.582 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -23.284 26.071 -16.159 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -21.444 19.229 -10.594 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -21.094 18.575 -11.200 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -21.297 20.066 -11.034 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -21.924 21.338 -12.245 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -22.841 21.609 -12.281 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -21.801 20.803 -13.029 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -24.836 36.250 -22.511 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -24.183 35.903 -23.119 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -24.325 36.739 -21.865 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -34.497 34.154 -15.709 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -34.922 34.963 -15.992 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -33.592 34.239 -16.011 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -30.186 35.553 -12.750 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -30.001 35.219 -11.872 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -29.339 35.862 -13.072 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -27.841 36.838 -13.506 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -27.164 36.206 -13.746 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -27.519 37.240 -12.698 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -37.095 37.410 -15.662 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -37.815 37.850 -16.113 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -37.461 37.159 -14.813 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -34.628 37.010 -16.632 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -35.493 37.082 -16.228 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -34.683 37.557 -17.416 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -35.539 34.743 -20.096 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -35.758 33.827 -19.927 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -34.715 34.883 -19.630 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -38.429 35.257 -25.580 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -39.114 35.219 -26.248 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -38.426 36.170 -25.292 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -29.565 36.467 -27.183 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -28.699 36.833 -27.361 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -29.812 36.027 -27.996 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -22.856 36.030 -24.503 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -23.050 35.282 -25.068 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -22.895 36.788 -25.087 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -36.611 36.177 -28.555 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -36.879 36.464 -27.682 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -35.840 35.631 -28.403 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -28.338 35.966 -1.534 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -27.718 35.289 -1.807 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -28.546 35.748 -0.626 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -30.766 30.355 0.358 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -30.462 29.669 -0.236 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -30.044 30.473 0.976 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -32.694 26.797 -2.064 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -32.078 26.271 -1.555 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -33.280 26.157 -2.468 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -33.091 29.444 2.320 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -33.831 30.042 2.423 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -32.377 29.998 2.004 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -31.634 19.074 -0.515 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -31.751 18.125 -0.569 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -32.489 19.406 -0.242 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -34.316 28.751 -3.180 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -34.646 28.381 -3.999 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -33.728 28.081 -2.834 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -32.949 32.179 -0.499 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -33.044 31.601 -1.256 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -32.220 31.808 -0.003 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -33.949 27.520 0.453 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -33.384 27.641 -0.310 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -33.630 28.157 1.092 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -29.364 34.020 -3.943 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -28.890 34.315 -3.165 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -29.927 34.758 -4.176 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -23.392 19.033 -7.565 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -24.291 19.172 -7.270 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -23.140 19.864 -7.967 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -35.326 27.821 -5.591 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -35.618 28.589 -6.082 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -36.000 27.161 -5.754 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -30.306 33.204 4.666 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -30.219 34.030 5.141 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -31.170 32.874 4.915 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -29.892 36.976 -5.528 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -29.967 36.855 -6.474 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -29.859 37.926 -5.409 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -30.040 22.192 -9.078 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -30.294 22.211 -8.155 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -30.297 21.320 -9.379 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -34.274 24.943 1.358 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -34.916 24.902 2.067 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -34.237 25.869 1.120 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -34.277 25.164 -3.730 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -35.170 24.823 -3.789 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -33.826 24.787 -4.486 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -33.158 22.637 -9.977 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -33.589 22.192 -9.247 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -33.876 23.009 -10.489 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -31.695 22.591 -2.644 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -32.606 22.648 -2.355 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -31.190 22.531 -1.833 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -33.214 24.220 -6.161 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -32.282 24.349 -5.983 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -33.429 24.890 -6.810 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -34.540 25.415 -8.594 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -35.082 25.035 -9.285 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -33.706 25.609 -9.023 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -24.003 37.498 6.897 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -23.803 37.922 6.062 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -23.347 37.841 7.504 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -30.375 25.379 -0.757 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -29.811 24.832 -1.304 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -30.523 24.857 0.032 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -31.749 23.767 1.657 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -32.584 24.221 1.767 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -31.225 24.043 2.409 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -27.307 22.794 -8.459 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -28.245 22.906 -8.610 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -27.010 23.651 -8.153 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -29.685 30.164 4.579 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -30.031 29.783 5.385 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -29.885 31.098 4.650 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -32.055 27.253 6.639 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -32.351 27.087 5.744 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -31.124 27.033 6.629 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -27.435 32.626 4.529 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -28.336 32.809 4.261 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -27.401 32.885 5.450 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -33.705 32.793 -3.484 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -33.178 33.566 -3.685 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -34.585 33.018 -3.786 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -32.278 30.456 -3.908 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -32.519 31.381 -3.866 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -33.018 29.997 -3.512 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -31.763 34.605 2.407 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -31.400 35.460 2.174 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -31.231 34.313 3.148 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -33.594 35.478 -4.363 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -34.544 35.583 -4.311 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -33.243 36.298 -4.018 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -26.016 31.633 -8.818 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -25.663 31.253 -8.014 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -26.965 31.540 -8.732 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -25.560 35.256 4.577 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -26.162 34.701 4.082 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -25.279 35.923 3.951 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -31.925 32.745 -10.371 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -31.686 31.997 -10.919 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -32.194 32.357 -9.539 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -32.988 32.315 -7.915 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -32.841 31.795 -7.125 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -32.991 33.222 -7.609 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -27.919 21.882 -6.029 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -27.699 22.354 -6.832 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -27.361 22.277 -5.358 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -30.250 34.013 -7.166 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -31.067 34.510 -7.113 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -29.721 34.488 -7.806 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -30.719 23.610 -5.194 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -29.907 24.114 -5.148 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -30.964 23.465 -4.280 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -29.835 20.691 -4.256 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -30.182 21.309 -3.611 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -29.177 21.192 -4.737 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -32.912 35.056 -7.184 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -32.751 35.856 -7.685 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -33.109 35.363 -6.299 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -24.290 35.510 0.544 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -24.446 36.188 -0.113 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -23.358 35.582 0.747 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -29.887 34.608 -10.233 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -30.531 33.977 -9.911 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -29.125 34.077 -10.465 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -27.402 33.480 7.121 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -27.753 32.624 7.364 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -26.676 33.623 7.728 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -34.328 30.335 -10.142 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -34.264 29.541 -9.611 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -33.675 30.216 -10.831 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -32.014 29.961 7.159 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -32.342 30.232 6.301 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -31.862 29.020 7.071 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -28.976 31.382 -10.406 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -29.244 31.562 -9.505 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -29.182 30.456 -10.537 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -33.179 28.307 -7.836 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -33.638 27.823 -7.150 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -32.924 27.639 -8.472 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -33.890 26.200 4.520 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -34.508 26.875 4.801 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -33.546 26.521 3.687 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -32.108 26.550 -9.573 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -32.288 26.396 -10.501 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -31.157 26.658 -9.529 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -28.870 28.671 7.798 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -27.917 28.755 7.770 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -29.030 27.960 8.417 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -33.550 23.555 5.603 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -33.400 22.826 5.000 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -33.548 24.332 5.044 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -33.138 21.925 3.095 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -32.602 22.376 2.443 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -33.990 21.817 2.673 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -31.556 27.364 3.335 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -30.805 27.208 2.762 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -31.895 28.216 3.059 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -32.332 19.381 3.527 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -32.430 20.328 3.421 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -33.075 19.009 3.051 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -31.068 23.703 7.090 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -31.304 23.483 7.992 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -31.851 23.496 6.581 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -32.110 18.675 6.198 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -31.398 18.035 6.184 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -32.211 18.942 5.284 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -31.757 20.358 8.252 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -31.888 19.882 7.431 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -32.356 21.102 8.196 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -32.210 37.241 -8.572 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -31.277 37.399 -8.428 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -32.474 37.916 -9.197 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -23.560 31.517 8.333 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -24.426 31.412 8.727 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -23.184 32.276 8.780 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -24.000 22.376 -10.270 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -23.390 22.004 -9.633 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -24.837 21.954 -10.074 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -23.754 21.194 -5.255 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -23.572 20.745 -4.430 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -24.354 20.609 -5.719 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -27.841 36.838 5.350 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -27.164 36.206 5.110 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -27.519 37.240 6.158 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -29.917 36.898 1.400 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -30.374 37.427 0.746 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -29.754 37.501 2.125 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -27.590 35.776 2.345 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -28.494 35.941 2.079 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -27.161 36.629 2.279 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -24.985 37.346 2.640 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -25.167 38.262 2.429 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -24.809 36.936 1.793 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -29.493 20.877 -1.247 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -30.168 20.248 -0.992 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -28.929 20.393 -1.850 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -25.677 19.494 -6.270 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -26.380 20.108 -6.480 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -26.122 18.656 -6.139 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -31.443 21.518 -6.722 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -31.265 20.872 -6.039 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -31.497 22.352 -6.255 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -28.088 28.667 15.389 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -27.999 29.611 15.257 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -28.727 28.392 14.731 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -29.155 27.922 18.808 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -29.193 27.276 19.513 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -29.478 27.456 18.037 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -22.103 21.956 20.075 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -22.054 22.566 20.811 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -21.677 22.417 19.352 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -27.625 24.749 19.542 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -27.482 23.802 19.562 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -27.731 24.956 18.613 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -21.711 23.434 22.311 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -22.400 24.092 22.216 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -21.696 23.237 23.248 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -24.637 20.987 20.875 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -25.373 21.598 20.837 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -23.953 21.402 20.349 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -31.634 19.074 18.341 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -31.751 18.125 18.287 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -32.489 19.406 18.614 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -29.367 27.911 12.841 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -30.079 28.446 12.490 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -28.676 27.967 12.181 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -29.313 26.369 9.880 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -28.612 26.391 10.531 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -29.011 25.741 9.224 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -25.961 28.121 13.793 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -26.693 28.349 14.366 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -25.514 27.407 14.248 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -27.090 27.283 11.478 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -26.511 27.433 12.225 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -26.676 27.754 10.755 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -22.202 33.399 9.668 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -22.129 34.338 9.838 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -21.297 33.094 9.611 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -26.790 36.130 10.331 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -26.415 35.386 9.860 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -26.786 35.860 11.249 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -29.702 19.699 22.493 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -29.282 19.284 23.246 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -30.635 19.521 22.610 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -26.376 23.455 23.347 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -26.890 23.329 24.144 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -26.531 24.367 23.102 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -30.040 22.192 9.778 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -30.294 22.211 10.701 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -30.297 21.320 9.477 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -28.741 25.580 13.943 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -29.150 26.395 13.651 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -28.021 25.440 13.328 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -33.158 22.637 8.879 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -33.589 22.192 9.609 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -33.876 23.009 8.367 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -28.473 26.664 21.428 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -28.149 26.033 20.785 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -28.913 26.129 22.089 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -31.695 22.591 16.212 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -32.606 22.648 16.501 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -31.190 22.531 17.023 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -27.290 21.826 19.476 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -27.967 21.957 20.140 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -27.776 21.671 18.666 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -30.375 25.379 18.099 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -29.811 24.832 17.552 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -30.523 24.857 18.888 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -23.408 33.657 12.217 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -23.781 32.831 12.527 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -23.131 33.474 11.320 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -26.248 28.465 19.239 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -27.176 28.233 19.212 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -25.797 27.688 18.909 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -26.016 31.633 10.038 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -25.663 31.253 10.842 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -26.965 31.540 10.124 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -21.512 36.113 10.239 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -20.769 36.699 10.099 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -22.207 36.681 10.572 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -25.150 30.306 12.264 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -25.427 29.578 12.820 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -24.223 30.425 12.470 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -28.703 22.230 21.730 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -28.005 22.304 22.380 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -29.084 21.366 21.885 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -30.719 23.610 13.662 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -29.907 24.114 13.708 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -30.964 23.465 14.576 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -29.835 20.691 14.600 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -30.182 21.309 15.245 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -29.177 21.192 14.119 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -23.979 22.503 23.682 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -24.895 22.766 23.594 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -23.643 22.500 22.785 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -25.377 26.254 17.778 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -26.174 25.839 17.449 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -24.932 25.563 18.269 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -25.283 34.425 8.857 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -25.000 33.631 9.310 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -24.543 34.658 8.296 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -28.976 31.382 8.450 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -29.244 31.562 9.351 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -29.182 30.456 8.319 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -32.108 26.550 9.283 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -32.288 26.396 8.355 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -31.157 26.658 9.327 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -22.259 29.774 12.703 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -21.409 30.195 12.831 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -22.254 29.034 13.311 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -21.865 27.827 14.527 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -22.591 27.348 14.925 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -21.284 28.033 15.259 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -24.078 26.348 15.090 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -24.228 25.403 15.070 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -24.432 26.629 15.934 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -23.756 24.512 18.988 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -22.823 24.724 18.954 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -23.991 24.614 19.911 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -23.727 25.249 21.764 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -24.570 25.517 22.130 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -23.284 26.071 21.553 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -22.923 19.428 23.286 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -23.736 19.753 22.898 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -22.690 18.668 22.753 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -29.493 20.877 17.609 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -30.168 20.248 17.864 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -28.929 20.393 17.006 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -32.587 19.438 15.244 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -31.713 19.826 15.214 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -32.723 19.223 16.167 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -31.443 21.518 12.134 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -31.265 20.872 12.817 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -31.497 22.352 12.601 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -36.787 46.393 -36.167 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -36.745 45.767 -35.443 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -36.084 47.016 -35.985 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -39.253 44.503 -42.239 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -39.701 45.349 -42.257 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -39.814 43.923 -42.754 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -38.543 46.665 -40.113 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -38.329 45.895 -39.586 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -37.805 46.754 -40.716 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -34.470 41.706 -39.754 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -34.427 42.566 -40.172 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -34.928 41.154 -40.387 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -37.850 44.103 -38.992 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -37.196 43.553 -38.560 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -37.826 43.829 -39.908 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -33.091 48.300 -35.392 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -33.831 48.898 -35.289 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -32.377 48.854 -35.708 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -34.683 50.264 -34.605 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -34.689 51.143 -34.983 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -35.537 50.181 -34.180 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -33.949 46.376 -37.259 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -33.384 46.497 -38.022 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -33.630 47.013 -36.620 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -33.069 50.775 -32.542 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -33.381 51.557 -32.086 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -33.719 50.622 -33.228 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -34.830 52.847 -31.778 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -34.822 52.711 -32.726 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -35.746 52.729 -31.526 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -39.233 49.040 -34.488 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -39.734 49.012 -35.303 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -39.227 48.134 -34.178 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -30.306 52.060 -33.046 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -30.219 52.886 -32.571 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -31.170 51.730 -32.797 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -34.365 38.833 -37.449 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -35.226 38.746 -37.857 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -34.387 39.689 -37.022 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -29.702 38.555 -34.075 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -29.282 38.140 -33.322 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -30.635 38.377 -33.958 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -34.274 43.799 -36.354 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -34.916 43.758 -35.645 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -34.237 44.725 -36.592 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -34.277 44.020 -41.442 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -35.170 43.679 -41.501 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -33.826 43.643 -42.198 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -29.639 44.611 -31.137 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -30.202 43.907 -30.817 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -28.813 44.491 -30.670 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -39.916 41.235 -40.637 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -39.285 41.206 -39.917 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -39.466 40.810 -41.367 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -36.867 43.076 -41.529 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -37.756 43.176 -41.869 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -36.571 42.234 -41.875 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -31.749 42.623 -36.055 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -32.584 43.077 -35.945 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -31.225 42.899 -35.303 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -29.685 49.020 -33.133 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -30.031 48.639 -32.327 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -29.885 49.954 -33.062 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -36.080 48.131 -38.601 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -35.335 48.129 -39.202 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -36.002 47.307 -38.119 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -32.055 46.109 -31.073 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -32.351 45.943 -31.968 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -31.124 45.889 -31.083 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -37.787 53.150 -35.293 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -37.570 52.218 -35.324 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -37.540 53.424 -34.409 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -28.703 41.086 -34.838 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -28.005 41.160 -34.188 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -29.084 40.222 -34.683 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -30.183 43.452 -33.721 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -30.064 44.026 -32.964 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -29.528 42.764 -33.606 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -36.795 38.484 -38.431 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -37.024 38.543 -39.358 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -37.238 37.692 -38.124 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -38.576 55.037 -30.940 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -38.036 54.820 -30.181 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -39.057 54.231 -31.130 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -33.979 53.956 -29.320 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -33.211 53.497 -28.979 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -34.000 53.730 -30.250 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -32.014 48.817 -30.553 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -32.342 49.088 -31.411 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -31.862 47.876 -30.641 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -33.890 45.056 -33.192 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -34.508 45.731 -32.911 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -33.546 45.377 -34.025 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -28.870 47.527 -29.914 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -27.917 47.611 -29.942 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -29.030 46.816 -29.295 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -33.550 42.411 -32.109 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -33.400 41.682 -32.712 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -33.548 43.188 -32.668 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -33.138 40.781 -34.617 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -32.602 41.232 -35.269 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -33.990 40.673 -35.039 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -31.556 46.220 -34.377 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -30.805 46.064 -34.950 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -31.895 47.072 -34.653 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -27.140 44.035 -29.349 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -26.948 43.104 -29.460 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -26.283 44.460 -29.359 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -32.332 38.237 -34.185 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -32.430 39.184 -34.291 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -33.075 37.865 -34.661 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -28.352 41.686 -31.546 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -29.300 41.718 -31.414 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -28.040 41.061 -30.892 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -26.718 40.320 -29.541 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -26.815 39.368 -29.547 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -27.040 40.589 -28.680 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -32.110 37.531 -31.514 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -31.398 36.891 -31.528 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -32.211 37.798 -32.428 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -39.043 47.282 -37.468 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -38.859 47.200 -38.403 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -38.194 47.158 -37.044 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -38.224 40.865 -38.436 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -37.779 40.073 -38.134 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -37.758 41.581 -38.005 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -34.497 53.010 -34.565 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -34.922 53.819 -34.848 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -33.592 53.095 -34.867 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -37.167 38.367 -41.137 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -37.944 38.133 -41.645 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -36.636 37.570 -41.129 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -26.814 37.564 -29.902 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -26.738 37.138 -29.048 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -25.921 37.578 -30.244 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -36.787 46.393 -17.311 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -36.745 45.767 -16.587 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -36.084 47.016 -17.129 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -25.449 49.717 -20.602 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -25.890 48.997 -20.152 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -25.462 50.438 -19.972 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -35.863 50.843 -18.776 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -36.233 50.041 -19.145 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -34.922 50.674 -18.729 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -38.543 46.665 -21.257 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -38.329 45.895 -20.730 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -37.805 46.754 -21.860 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -28.338 54.822 -20.390 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -27.718 54.145 -20.663 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -28.546 54.604 -19.482 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -34.683 50.264 -15.749 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -34.689 51.143 -16.127 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -35.537 50.181 -15.324 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -24.937 51.557 -18.254 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -25.879 51.615 -18.093 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -24.661 52.463 -18.391 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -26.685 53.338 -21.629 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -26.260 52.631 -22.114 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -26.368 54.139 -22.046 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -25.526 51.239 -23.120 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -25.783 50.549 -23.732 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -25.455 50.796 -22.275 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -23.840 49.805 -14.643 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -23.700 49.214 -15.382 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -23.672 50.678 -14.999 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -25.961 46.977 -23.919 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -26.693 47.205 -23.346 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -25.514 46.263 -23.464 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -33.069 50.775 -13.686 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -33.381 51.557 -13.230 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -33.719 50.622 -14.372 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -27.090 46.139 -26.234 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -26.511 46.289 -25.487 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -26.676 46.610 -26.957 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -36.149 46.973 -14.457 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -36.079 47.624 -13.759 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -37.040 47.076 -14.792 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -34.830 52.847 -12.922 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -34.822 52.711 -13.870 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -35.746 52.729 -12.670 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -21.285 52.486 -13.066 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -21.334 51.531 -13.103 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -22.111 52.754 -12.664 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -30.306 52.060 -14.190 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -30.219 52.886 -13.715 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -31.170 51.730 -13.941 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -29.892 55.832 -24.384 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -29.967 55.711 -25.330 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -29.859 56.782 -24.265 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -36.238 54.621 -22.603 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -36.086 54.273 -21.724 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -37.089 54.265 -22.858 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -27.121 54.912 -24.632 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -28.056 55.012 -24.453 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -26.841 54.203 -24.054 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -36.984 50.363 -14.589 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -36.767 50.002 -13.729 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -37.839 49.989 -14.799 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -36.524 44.119 -15.631 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -36.562 44.519 -14.763 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -37.015 43.302 -15.541 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -36.405 48.828 -12.351 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -35.672 49.082 -11.790 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -37.185 49.032 -11.836 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -31.205 48.836 -25.514 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -31.949 48.329 -25.837 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -31.339 48.885 -24.568 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -27.307 41.650 -27.315 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -28.245 41.762 -27.466 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -27.010 42.507 -27.009 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -26.589 43.517 -25.654 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -25.697 43.380 -25.335 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -26.532 44.308 -26.191 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -36.080 48.131 -19.745 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -35.335 48.129 -20.346 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -36.002 47.307 -19.263 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -29.079 50.295 -26.489 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -29.374 51.121 -26.107 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -29.782 49.675 -26.293 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -32.055 46.109 -12.217 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -32.351 45.943 -13.112 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -31.124 45.889 -12.227 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -27.435 51.482 -14.327 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -28.336 51.665 -14.595 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -27.401 51.741 -13.406 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -21.740 49.527 -13.123 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -22.592 49.765 -13.490 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -21.150 49.510 -13.876 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -33.705 51.649 -22.340 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -33.178 52.422 -22.541 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -34.585 51.874 -22.642 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -31.763 53.461 -16.449 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -31.400 54.316 -16.682 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -31.231 53.169 -15.708 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -33.594 54.334 -23.219 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -34.544 54.439 -23.167 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -33.243 55.154 -22.874 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -25.560 54.112 -14.279 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -26.162 53.557 -14.774 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -25.279 54.779 -14.905 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -37.438 41.345 -14.872 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -38.331 41.684 -14.939 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -37.537 40.490 -14.454 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -25.150 49.162 -25.448 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -25.427 48.434 -24.892 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -24.223 49.281 -25.242 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -37.787 53.150 -16.437 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -37.570 52.218 -16.468 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -37.540 53.424 -15.553 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -31.925 51.601 -29.227 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -31.686 50.853 -29.775 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -32.194 51.213 -28.395 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -32.988 51.171 -26.771 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -32.841 50.651 -25.981 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -32.991 52.078 -26.465 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -30.250 52.869 -26.022 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -31.067 53.366 -25.969 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -29.721 53.344 -26.662 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -32.912 53.912 -26.040 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -32.751 54.712 -26.541 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -33.109 54.219 -25.155 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -24.290 54.366 -18.312 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -24.446 55.044 -18.969 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -23.358 54.438 -18.109 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -37.865 52.424 -23.414 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -38.697 52.897 -23.387 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -37.319 52.934 -24.013 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -27.402 52.336 -11.735 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -27.753 51.480 -11.492 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -26.676 52.479 -11.128 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -32.014 48.817 -11.697 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -32.342 49.088 -12.555 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -31.862 47.876 -11.785 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -28.976 50.238 -29.262 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -29.244 50.418 -28.361 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -29.182 49.312 -29.393 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -33.890 45.056 -14.336 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -34.508 45.731 -14.055 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -33.546 45.377 -15.169 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -33.550 42.411 -13.253 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -33.400 41.682 -13.856 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -33.548 43.188 -13.812 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -33.138 40.781 -15.761 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -32.602 41.232 -16.413 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -33.990 40.673 -16.183 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -35.072 43.609 -11.342 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -35.839 43.077 -11.552 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -34.393 43.299 -11.941 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -32.332 38.237 -15.329 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -32.430 39.184 -15.435 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -33.075 37.865 -15.805 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -32.110 37.531 -12.658 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -31.398 36.891 -12.672 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -32.211 37.798 -13.572 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -21.574 55.016 -18.083 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -21.596 55.201 -17.144 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -20.884 55.585 -18.424 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -22.011 54.583 -15.161 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -22.498 53.848 -15.532 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -21.462 54.190 -14.483 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -23.560 50.373 -10.523 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -24.426 50.268 -10.129 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -23.184 51.132 -10.076 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -22.259 48.630 -25.009 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -21.409 49.051 -24.881 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -22.254 47.890 -24.401 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -21.865 46.683 -23.185 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -22.591 46.204 -22.787 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -21.284 46.889 -22.453 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -23.619 52.346 -15.930 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -24.267 52.671 -15.305 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -24.137 51.906 -16.605 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -24.078 45.204 -22.622 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -24.228 44.259 -22.642 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -24.432 45.485 -21.778 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -39.043 47.282 -18.612 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -38.859 47.200 -19.547 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -38.194 47.158 -18.188 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -24.368 42.787 -24.160 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -24.088 41.880 -24.035 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -23.609 43.221 -24.549 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -23.754 40.050 -24.111 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -23.572 39.601 -23.286 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -24.354 39.465 -24.575 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -39.920 43.864 -18.511 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -39.428 43.643 -19.301 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -39.558 44.705 -18.230 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -24.836 55.106 -22.511 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -24.183 54.759 -23.119 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -24.325 55.595 -21.865 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -39.643 38.860 -16.112 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -40.308 38.614 -15.469 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -40.086 39.482 -16.689 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -34.497 53.010 -15.709 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -34.922 53.819 -15.992 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -33.592 53.095 -16.011 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -30.186 54.409 -12.750 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -30.001 54.075 -11.872 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -29.339 54.718 -13.072 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -27.841 55.694 -13.506 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -27.164 55.062 -13.746 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -27.519 56.096 -12.698 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -34.628 55.866 -16.632 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -35.493 55.938 -16.228 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -34.683 56.413 -17.416 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -29.917 55.754 -17.456 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -30.374 56.283 -18.110 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -29.754 56.357 -16.731 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -27.590 54.632 -16.511 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -28.494 54.797 -16.777 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -27.161 55.485 -16.577 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -35.539 53.599 -20.096 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -35.758 52.683 -19.927 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -34.715 53.739 -19.630 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -33.002 54.069 -19.248 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -32.789 53.181 -19.535 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -32.937 54.035 -18.293 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -22.624 38.979 -21.657 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -22.012 38.465 -22.184 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -22.241 39.857 -21.634 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -25.677 38.350 -25.126 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -26.380 38.964 -25.336 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -26.122 37.512 -24.995 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -38.429 54.113 -25.580 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -39.114 54.075 -26.248 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -38.426 55.026 -25.292 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -37.209 38.881 -12.764 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -37.575 38.116 -12.321 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -36.296 38.910 -12.477 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -35.236 38.232 -11.228 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -34.337 37.958 -11.413 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -35.622 37.489 -10.764 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -36.611 55.033 -28.555 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -36.879 55.320 -27.682 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -35.840 54.487 -28.403 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -23.638 53.637 -12.353 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -24.420 53.451 -12.873 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -23.710 54.566 -12.136 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -28.088 47.523 -3.467 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -27.999 48.467 -3.599 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -28.727 47.248 -4.125 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -29.155 46.778 -0.048 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -29.193 46.132 0.657 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -29.478 46.312 -0.819 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -22.103 40.812 1.219 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -22.054 41.422 1.955 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -21.677 41.273 0.496 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -27.625 43.605 0.686 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -27.482 42.658 0.706 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -27.731 43.812 -0.243 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -34.470 41.706 -2.042 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -34.427 42.566 -2.460 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -34.928 41.154 -2.675 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -32.694 45.653 -2.064 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -32.078 45.127 -1.555 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -33.280 45.013 -2.468 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -21.711 42.290 3.455 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -22.400 42.948 3.360 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -21.696 42.093 4.392 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -28.291 50.124 -4.424 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -28.587 49.802 -5.275 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -28.615 51.024 -4.382 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -36.066 42.516 -0.015 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -35.453 43.149 0.358 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -35.554 42.044 -0.672 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -24.637 39.843 2.019 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -25.373 40.454 1.981 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -23.953 40.258 1.493 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -31.634 37.930 -0.515 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -31.751 36.981 -0.569 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -32.489 38.262 -0.242 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -25.526 51.239 -4.264 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -25.783 50.549 -4.876 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -25.455 50.796 -3.419 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -21.998 46.145 2.279 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -22.650 46.840 2.368 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -21.533 46.355 1.469 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -25.961 46.977 -5.063 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -26.693 47.205 -4.490 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -25.514 46.263 -4.608 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -34.316 47.607 -3.180 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -34.646 47.237 -3.999 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -33.728 46.937 -2.834 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -33.949 46.376 0.453 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -33.384 46.497 -0.310 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -33.630 47.013 1.092 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -35.326 46.677 -5.591 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -35.618 47.445 -6.082 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -36.000 46.017 -5.754 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -22.202 52.255 -9.188 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -22.129 53.194 -9.018 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -21.297 51.950 -9.245 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -24.133 43.979 6.270 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -24.540 44.460 5.550 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -24.092 43.074 5.963 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -34.365 38.833 0.263 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -35.226 38.746 -0.145 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -34.387 39.689 0.690 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -34.274 43.799 1.358 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -34.916 43.758 2.067 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -34.237 44.725 1.120 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -33.158 41.493 -9.977 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -33.589 41.048 -9.247 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -33.876 41.865 -10.489 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -36.867 43.076 -3.817 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -37.756 43.176 -4.157 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -36.571 42.234 -4.163 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -27.290 40.682 0.620 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -27.967 40.813 1.284 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -27.776 40.527 -0.190 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -34.540 44.271 -8.594 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -35.082 43.891 -9.285 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -33.706 44.465 -9.023 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -30.375 44.235 -0.757 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -29.811 43.688 -1.304 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -30.523 43.713 0.032 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -35.373 40.371 -4.339 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -35.690 39.469 -4.374 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -34.592 40.373 -4.891 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -31.749 42.623 1.657 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -32.584 43.077 1.767 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -31.225 42.899 2.409 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -31.205 48.836 -6.658 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -31.949 48.329 -6.981 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -31.339 48.885 -5.712 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -29.079 50.295 -7.633 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -29.374 51.121 -7.251 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -29.782 49.675 -7.437 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -23.408 52.513 -6.639 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -23.781 51.687 -6.329 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -23.131 52.330 -7.536 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -26.248 47.321 0.383 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -27.176 47.089 0.356 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -25.797 46.544 0.053 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -32.278 49.312 -3.908 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -32.519 50.237 -3.866 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -33.018 48.853 -3.512 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -26.016 50.489 -8.818 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -25.663 50.109 -8.014 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -26.965 50.396 -8.732 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -25.150 49.162 -6.592 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -25.427 48.434 -6.036 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -24.223 49.281 -6.386 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -31.925 51.601 -10.371 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -31.686 50.853 -10.919 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -32.194 51.213 -9.539 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -32.988 51.171 -7.915 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -32.841 50.651 -7.125 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -32.991 52.078 -7.609 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -23.979 41.359 4.826 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -24.895 41.622 4.738 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -23.643 41.356 3.929 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -25.377 45.110 -1.078 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -26.174 44.695 -1.407 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -24.932 44.419 -0.587 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -25.283 53.281 -9.999 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -25.000 52.487 -9.546 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -24.543 53.514 -10.560 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -34.328 49.191 -10.142 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -34.264 48.397 -9.611 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -33.675 49.072 -10.831 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -28.976 50.238 -10.406 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -29.244 50.418 -9.505 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -29.182 49.312 -10.537 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -33.179 47.163 -7.836 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -33.638 46.679 -7.150 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -32.924 46.495 -8.472 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -32.108 45.406 -9.573 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -32.288 45.252 -10.501 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -31.157 45.514 -9.529 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -22.259 48.630 -6.153 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -21.409 49.051 -6.025 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -22.254 47.890 -5.545 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -21.865 46.683 -4.329 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -22.591 46.204 -3.931 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -21.284 46.889 -3.597 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -21.725 45.077 6.557 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -22.588 44.698 6.392 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -21.121 44.338 6.483 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -23.756 43.368 0.132 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -22.823 43.580 0.098 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -23.991 43.470 1.055 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -23.727 44.105 2.908 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -24.570 44.373 3.274 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -23.284 44.927 2.697 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -21.444 38.085 8.262 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -21.094 37.431 7.656 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -21.297 38.922 7.822 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -21.924 40.194 6.611 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -22.841 40.465 6.575 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -21.801 39.659 5.827 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -22.923 38.284 4.430 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -23.736 38.609 4.042 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -22.690 37.524 3.897 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -29.493 39.733 -1.247 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -30.168 39.104 -0.992 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -28.929 39.249 -1.850 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -24.351 37.840 -1.135 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -23.747 38.388 -1.636 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -25.220 38.160 -1.375 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -37.167 38.367 -3.425 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -37.944 38.133 -3.933 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -36.636 37.570 -3.417 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -32.587 38.294 -3.612 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -31.713 38.682 -3.642 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -32.723 38.079 -2.689 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -27.030 38.324 -1.963 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -26.954 38.419 -2.912 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -27.306 37.416 -1.834 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -36.469 40.081 -9.179 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -35.978 39.451 -9.707 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -35.846 40.377 -8.516 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -26.814 37.564 7.810 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -26.738 37.138 8.664 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -25.921 37.578 7.468 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -23.392 37.889 11.291 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -24.291 38.028 11.586 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -23.140 38.720 10.889 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -24.000 41.232 8.586 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -23.390 40.860 9.223 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -24.837 40.810 8.782 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -21.888 40.117 10.129 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -21.475 39.396 9.653 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -21.206 40.787 10.187 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -35.236 57.088 -30.084 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -34.337 56.814 -30.269 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -35.622 56.345 -29.620 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -31.634 56.786 -19.371 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -31.751 55.837 -19.425 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -32.489 57.118 -19.098 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -29.702 57.411 -15.219 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -29.282 56.996 -14.466 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -30.635 57.233 -15.102 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -32.332 57.093 -15.329 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -32.430 58.040 -15.435 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -33.075 56.721 -15.805 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -38.330 57.021 -26.478 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -37.891 57.632 -27.069 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -38.964 57.559 -26.004 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -32.587 57.150 -22.468 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -31.713 57.538 -22.498 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -32.723 56.935 -21.545 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -27.030 57.180 -20.819 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -26.954 57.275 -21.768 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -27.306 56.272 -20.690 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -5.147 -19.070 6.897 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -4.947 -18.646 6.062 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -4.491 -18.727 7.504 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -15.123 -21.468 8.392 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -14.355 -21.927 8.733 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -15.144 -21.694 7.462 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -8.546 -23.088 7.121 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -8.897 -23.944 7.364 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -7.820 -22.945 7.728 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -4.704 -25.051 8.333 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -5.570 -25.156 8.727 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -4.328 -24.292 8.780 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -11.330 -21.015 6.106 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -11.145 -21.349 6.984 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -10.483 -20.706 5.784 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -8.985 -19.730 5.350 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -8.308 -20.362 5.110 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -8.663 -19.328 6.158 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -9.232 -27.901 15.389 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -9.143 -26.957 15.257 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -9.871 -28.176 14.731 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -10.299 -28.646 18.808 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -10.337 -29.292 19.513 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -10.622 -29.112 18.037 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -17.007 -24.581 18.936 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -17.377 -25.383 18.567 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -16.066 -24.750 18.983 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -11.910 -26.213 19.214 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -11.606 -26.899 18.620 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -11.188 -26.095 19.832 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -8.769 -31.819 19.542 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -8.626 -32.766 19.562 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -8.875 -31.612 18.613 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -2.855 -33.134 22.311 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -3.544 -32.476 22.216 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -2.840 -33.331 23.248 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -9.435 -25.300 14.432 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -9.731 -25.622 13.581 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -9.759 -24.400 14.474 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -14.235 -27.124 21.176 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -14.975 -26.526 21.279 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -13.521 -26.570 20.860 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -15.827 -25.160 21.963 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -15.833 -24.281 21.585 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -16.681 -25.243 22.388 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -10.511 -28.657 12.841 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -11.223 -28.122 12.490 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -9.820 -28.601 12.181 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -7.105 -28.447 13.793 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -7.837 -28.219 14.366 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -6.658 -29.161 14.248 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -7.208 -30.273 22.861 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -7.128 -29.510 23.433 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -7.809 -29.994 22.170 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -15.460 -27.817 15.676 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -15.790 -28.187 14.857 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -14.872 -28.487 16.022 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -14.213 -24.649 24.026 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -14.525 -23.867 24.482 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -14.863 -24.802 23.340 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -8.234 -29.285 11.478 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -7.655 -29.135 12.225 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -7.820 -28.814 10.755 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -15.974 -22.577 24.790 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -15.966 -22.713 23.842 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -16.890 -22.695 25.042 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -3.346 -23.169 9.668 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -3.273 -22.230 9.838 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -2.441 -23.474 9.611 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -2.429 -22.938 24.646 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -2.478 -23.893 24.609 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -3.255 -22.670 25.048 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -11.450 -23.364 23.522 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -11.363 -22.538 23.997 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -12.314 -23.694 23.771 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -17.382 -20.803 15.109 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -17.230 -21.151 15.988 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -18.233 -21.159 14.854 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -7.934 -20.438 10.331 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -7.559 -21.182 9.860 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -7.930 -20.708 11.249 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -5.277 -31.445 25.126 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -5.684 -30.964 24.406 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -5.236 -32.350 24.819 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -6.757 -28.252 9.108 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -6.715 -28.475 8.178 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -5.908 -27.854 9.298 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -9.885 -30.988 13.943 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -10.294 -30.173 13.651 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -9.165 -31.128 13.328 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -8.881 -31.542 16.757 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -9.076 -30.937 16.042 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -8.699 -32.376 16.322 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -9.617 -29.904 21.428 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -9.293 -30.535 20.785 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -10.057 -30.439 22.089 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -5.147 -19.070 25.753 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -4.947 -18.646 24.918 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -4.491 -18.727 26.360 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -12.349 -26.588 12.198 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -13.093 -27.095 11.875 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -12.483 -26.539 13.144 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -10.829 -26.404 23.435 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -11.175 -26.785 24.241 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -11.029 -25.470 23.506 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -7.733 -31.907 12.058 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -6.841 -32.044 12.377 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -7.676 -31.116 11.521 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -10.223 -25.129 11.223 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -10.518 -24.303 11.605 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -10.926 -25.749 11.419 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -8.579 -23.942 23.385 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -9.480 -23.759 23.117 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -8.545 -23.683 24.306 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -2.848 -31.697 11.752 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -3.402 -32.093 11.080 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -2.747 -30.787 11.475 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -4.552 -22.911 12.217 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -4.925 -23.737 12.527 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -4.275 -23.094 11.320 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -14.849 -23.775 15.372 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -14.322 -23.002 15.171 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -15.729 -23.550 15.070 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -13.422 -26.112 14.948 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -13.663 -25.187 14.990 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -14.162 -26.571 15.344 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -7.160 -24.935 10.038 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -6.807 -25.315 10.842 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -8.109 -25.028 10.124 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -6.704 -21.312 23.433 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -7.306 -21.867 22.938 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -6.423 -20.645 22.807 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -2.656 -20.455 10.239 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -1.913 -19.869 10.099 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -3.351 -19.887 10.572 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -6.294 -26.262 12.264 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -6.571 -26.990 12.820 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -5.367 -26.143 12.470 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -13.069 -23.823 8.485 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -12.830 -24.571 7.937 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -13.338 -24.211 9.317 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -14.132 -24.253 10.941 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -13.985 -24.773 11.731 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -14.135 -23.346 11.247 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -6.521 -30.314 17.778 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -7.318 -30.729 17.449 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -6.076 -31.005 18.269 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -17.063 -24.386 10.348 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -16.471 -23.687 10.624 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -16.604 -24.819 9.629 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -11.031 -21.960 8.623 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -11.675 -22.591 8.945 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -10.269 -22.491 8.391 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -8.546 -23.088 25.977 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -8.897 -23.944 26.220 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -7.820 -22.945 26.584 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -6.427 -22.143 8.857 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -6.144 -22.937 9.310 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -5.687 -21.910 8.296 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -10.120 -25.186 8.450 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -10.388 -25.006 9.351 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -10.326 -26.112 8.319 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -7.423 -26.691 23.398 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -6.678 -26.103 23.278 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -8.180 -26.109 23.461 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -3.862 -27.663 8.728 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -4.135 -28.088 7.915 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -3.822 -26.732 8.511 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -12.700 -29.204 22.191 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -11.949 -29.360 21.618 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -13.039 -28.352 21.915 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -6.968 -28.600 25.297 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -7.249 -27.891 24.719 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -6.025 -28.673 25.146 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -4.704 -25.051 27.189 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -5.570 -25.156 27.583 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -4.328 -24.292 27.636 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -2.741 -28.840 10.918 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -3.262 -28.483 10.199 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -2.774 -28.165 11.596 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -4.392 -31.600 9.469 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -4.295 -30.933 8.789 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -4.532 -32.416 8.987 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -4.366 -28.250 24.729 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -3.783 -28.984 24.920 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -3.802 -27.478 24.775 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -2.869 -30.347 25.413 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -3.732 -30.726 25.248 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -2.265 -31.086 25.339 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -5.512 -32.637 13.552 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -5.232 -33.544 13.677 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -4.753 -32.203 13.163 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -4.900 -32.056 18.988 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -3.967 -31.844 18.954 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -5.135 -31.954 19.911 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -4.871 -31.319 21.764 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -5.714 -31.051 22.130 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -4.428 -30.497 21.553 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -15.641 -22.414 22.003 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -16.066 -21.605 21.720 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -14.736 -22.329 21.701 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -11.330 -21.015 24.962 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -11.145 -21.349 25.840 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -10.483 -20.706 24.640 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -8.985 -19.730 24.206 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -8.308 -20.362 23.966 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -8.663 -19.328 25.014 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -15.772 -19.558 21.080 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -16.637 -19.486 21.484 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -15.827 -19.011 20.296 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -18.824 -20.535 18.961 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -18.843 -20.960 19.818 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -18.019 -20.853 18.552 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -16.683 -21.825 17.616 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -16.902 -22.741 17.785 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -15.859 -21.685 18.082 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -17.755 -20.391 9.157 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -18.023 -20.104 10.030 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -16.984 -20.937 9.309 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -4.782 -21.787 25.359 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -5.564 -21.973 24.839 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -4.854 -20.858 25.576 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -3.346 -23.169 28.524 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -3.273 -22.230 28.694 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -2.441 -23.474 28.467 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -6.427 -22.143 27.713 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -6.144 -22.937 28.166 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -5.687 -21.910 27.152 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -3.862 -27.663 27.584 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -4.135 -28.088 26.771 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -3.822 -26.732 27.367 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -10.783 -11.957 6.575 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -11.346 -12.661 6.895 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -9.957 -12.077 7.042 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -8.284 -12.533 8.363 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -8.092 -13.464 8.252 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -7.427 -12.108 8.353 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -12.212 -14.009 7.090 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -12.448 -14.229 7.992 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -12.995 -14.216 6.581 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -9.496 -14.882 6.166 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -10.444 -14.850 6.298 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -9.184 -15.507 6.820 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -7.862 -16.248 8.171 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -7.959 -17.200 8.165 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -8.184 -15.979 9.032 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -13.254 -19.037 6.198 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -12.542 -19.677 6.184 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -13.355 -18.770 5.284 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -16.380 -18.336 7.628 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -15.481 -18.610 7.443 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -16.766 -19.079 8.092 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -7.958 -19.004 7.810 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -7.882 -19.430 8.664 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -7.065 -18.990 7.468 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -17.931 -10.175 20.401 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -17.889 -10.801 21.125 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -17.228 -9.552 20.583 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -17.007 -5.725 18.936 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -17.377 -6.527 18.567 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -16.066 -5.894 18.983 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -15.614 -14.862 16.814 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -15.571 -14.002 16.396 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -16.072 -15.414 16.181 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -9.435 -6.444 14.432 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -9.731 -6.766 13.581 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -9.759 -5.544 14.474 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -14.235 -8.268 21.176 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -14.975 -7.670 21.279 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -13.521 -7.714 20.860 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -17.210 -14.052 18.841 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -16.597 -13.419 19.214 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -16.698 -14.524 18.184 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -7.829 -3.230 16.083 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -7.404 -3.937 15.598 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -7.512 -2.429 15.666 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -6.670 -5.329 14.592 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -6.927 -6.019 13.980 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -6.599 -5.772 15.437 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -10.511 -9.801 12.841 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -11.223 -9.266 12.490 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -9.820 -9.745 12.181 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -10.457 -11.343 9.880 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -9.756 -11.321 10.531 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -10.155 -11.971 9.224 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -15.460 -8.961 15.676 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -15.790 -9.331 14.857 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -14.872 -9.631 16.022 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -14.093 -5.533 18.357 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -14.188 -6.111 17.600 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -13.364 -5.904 18.853 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -15.093 -10.192 19.309 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -14.528 -10.071 18.546 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -14.774 -9.555 19.948 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -8.234 -10.429 11.478 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -7.655 -10.279 12.225 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -7.820 -9.958 10.755 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -17.293 -9.595 23.255 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -17.223 -8.944 23.953 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -18.184 -9.492 22.920 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -10.508 -3.692 14.913 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -10.034 -3.397 15.691 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -11.071 -2.954 14.680 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -4.536 -18.679 11.291 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -5.435 -18.540 11.586 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -4.284 -17.848 10.889 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -16.470 -9.891 13.265 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -16.762 -9.123 12.774 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -17.144 -10.551 13.102 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -20.377 -7.528 22.080 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -20.878 -7.556 21.265 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -20.371 -8.434 22.390 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -20.626 -4.748 18.964 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -19.680 -4.892 18.945 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -20.739 -3.964 19.501 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -2.429 -4.082 24.646 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -2.478 -5.037 24.609 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -3.255 -3.814 25.048 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -17.382 -1.947 15.109 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -17.230 -2.295 15.988 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -18.233 -2.303 14.854 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -7.934 -1.582 10.331 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -7.559 -2.326 9.860 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -7.930 -1.852 11.249 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -8.265 -1.656 13.080 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -9.200 -1.556 13.259 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -7.985 -2.365 13.658 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -18.128 -6.205 23.123 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -17.911 -6.566 23.983 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -18.983 -6.579 22.913 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -15.509 -17.735 19.119 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -16.370 -17.822 18.711 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -15.531 -16.879 19.546 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -10.846 -18.013 22.493 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -10.426 -18.428 23.246 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -11.779 -18.191 22.610 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -6.757 -9.396 9.108 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -6.715 -9.619 8.178 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -5.908 -8.998 9.298 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -15.418 -12.769 20.214 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -16.060 -12.810 20.923 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -15.381 -11.843 19.976 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -15.421 -12.548 15.126 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -16.314 -12.889 15.067 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -14.970 -12.925 14.370 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -14.302 -15.075 8.879 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -14.733 -15.520 9.609 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -15.020 -14.703 8.367 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -14.358 -13.492 12.695 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -13.426 -13.363 12.873 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -14.573 -12.822 12.046 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -15.684 -12.297 10.262 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -16.226 -12.677 9.571 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -14.850 -12.103 9.833 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -5.147 -0.214 25.753 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -4.947 0.210 24.918 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -4.491 0.129 26.360 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -17.549 -7.740 25.361 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -16.816 -7.486 25.922 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -18.329 -7.536 25.876 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -16.517 -16.197 14.517 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -16.834 -17.099 14.482 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -15.736 -16.195 13.965 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -12.893 -13.945 20.513 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -13.728 -13.491 20.623 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -12.369 -13.669 21.265 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -12.349 -7.732 12.198 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -13.093 -8.239 11.875 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -12.483 -7.683 13.144 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -7.733 -13.051 12.058 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -6.841 -13.188 12.377 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -7.676 -12.260 11.521 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -17.224 -8.437 17.967 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -16.479 -8.439 17.366 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -17.146 -9.261 18.449 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -10.223 -6.273 11.223 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -10.518 -5.447 11.605 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -10.926 -6.893 11.419 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -13.199 -10.459 25.495 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -13.495 -10.625 24.600 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -12.268 -10.679 25.485 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -2.848 -12.841 11.752 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -3.402 -13.237 11.080 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -2.747 -11.931 11.475 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -4.552 -4.055 12.217 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -4.925 -4.881 12.527 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -4.275 -4.238 11.320 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -14.849 -4.919 15.372 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -14.322 -4.146 15.171 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -15.729 -4.694 15.070 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -13.422 -7.256 14.948 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -13.663 -6.331 14.990 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -14.162 -7.715 15.344 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -14.738 -2.234 14.493 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -15.688 -2.129 14.545 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -14.387 -1.414 14.838 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -6.294 -7.406 12.264 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -6.571 -8.134 12.820 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -5.367 -7.287 12.470 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -18.931 -3.418 21.275 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -18.714 -4.350 21.244 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -18.684 -3.144 22.159 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -11.394 -3.699 11.690 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -12.211 -3.202 11.743 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -10.865 -3.224 11.050 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -11.327 -13.116 22.847 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -11.208 -12.542 23.604 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -10.672 -13.804 22.962 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -14.056 -2.656 11.672 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -13.895 -1.856 11.171 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -14.253 -2.349 12.557 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -15.322 -15.958 11.288 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -15.405 -15.069 11.634 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -14.432 -16.223 11.519 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -17.939 -18.084 18.137 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -18.168 -18.025 17.210 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -18.382 -18.876 18.444 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -19.720 -1.531 25.628 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -19.180 -1.748 26.387 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -20.201 -2.337 25.438 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -19.813 -7.721 26.582 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -19.669 -8.623 26.296 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -20.586 -7.435 26.094 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -13.158 -7.751 26.015 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -13.486 -7.480 25.157 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -13.006 -8.692 25.927 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -14.323 -9.405 11.020 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -14.782 -9.889 11.706 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -14.068 -10.073 10.384 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -15.034 -11.512 23.376 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -15.652 -10.837 23.657 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -14.690 -11.191 22.543 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -13.252 -11.162 9.283 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -13.432 -11.316 8.355 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -12.301 -11.054 9.327 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -14.694 -14.157 24.459 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -14.544 -14.886 23.856 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -14.692 -13.380 23.900 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -14.282 -15.787 21.951 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -13.746 -15.336 21.299 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -15.134 -15.895 21.529 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -13.476 -18.331 22.383 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -13.574 -17.384 22.277 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -14.219 -18.703 21.907 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -12.212 -14.009 25.946 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -12.448 -14.229 26.848 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -12.995 -14.216 25.437 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -7.862 -16.248 27.027 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -7.959 -17.200 27.021 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -8.184 -15.979 27.888 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -13.254 -19.037 25.054 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -12.542 -19.677 25.040 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -13.355 -18.770 24.140 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -12.901 -17.354 27.108 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -13.032 -17.830 26.287 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -13.500 -16.610 27.052 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -13.354 -0.471 10.284 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -12.421 -0.313 10.428 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -13.618 0.204 9.659 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -2.718 -1.552 19.629 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -2.740 -1.367 20.568 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -2.028 -0.983 19.288 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -4.704 -6.195 27.189 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -5.570 -6.300 27.583 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -4.328 -5.436 27.636 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -3.403 -7.938 12.703 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -2.553 -7.517 12.831 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -3.398 -8.678 13.311 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -3.009 -9.885 14.527 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -3.735 -10.364 14.925 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -2.428 -9.679 15.259 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -2.741 -9.984 10.918 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -3.262 -9.627 10.199 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -2.774 -9.309 11.596 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -4.392 -12.744 9.469 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -4.295 -12.077 8.789 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -4.532 -13.560 8.987 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -4.366 -9.394 24.729 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -3.783 -10.128 24.920 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -3.802 -8.622 24.775 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -2.869 -11.491 25.413 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -3.732 -11.870 25.248 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -2.265 -12.230 25.339 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -5.144 -15.336 8.586 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -4.534 -15.708 9.223 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -5.981 -15.758 8.782 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -2.588 -18.483 27.118 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -2.238 -19.137 26.512 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -2.441 -17.646 26.678 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -4.898 -16.518 13.601 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -4.716 -16.967 14.426 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -5.498 -17.103 13.137 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -3.068 -16.374 25.467 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -3.985 -16.103 25.431 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -2.945 -16.909 24.683 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -3.032 -16.451 10.129 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -2.619 -17.172 9.653 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -2.350 -15.781 10.187 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -5.980 -1.462 15.201 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -5.327 -1.809 14.593 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -5.469 -0.973 15.847 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -18.595 -4.533 25.744 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -19.416 -4.358 25.284 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -18.847 -4.606 26.665 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -18.239 -0.302 22.050 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -18.959 0.138 21.599 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -18.605 -0.553 22.899 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -18.824 -1.679 18.961 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -18.843 -2.104 19.818 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -18.019 -1.997 18.552 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -16.683 -2.969 17.616 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -16.902 -3.885 17.785 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -15.859 -2.829 18.082 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -18.311 -18.201 15.431 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -19.088 -18.435 14.923 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -17.780 -18.998 15.439 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -19.474 -18.403 11.234 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -19.035 -17.792 10.643 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -20.108 -17.865 11.708 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -17.613 -16.487 9.677 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -17.122 -17.117 9.149 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -16.990 -16.191 10.340 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -10.709 -1.245 10.529 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -9.843 -0.879 10.351 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -10.956 -1.685 9.716 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -4.000 -1.682 13.209 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -4.194 -2.430 12.644 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -4.039 -0.924 12.625 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -7.958 -19.004 26.666 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -7.882 -19.430 27.520 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -7.065 -18.990 26.324 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -4.782 -2.931 25.359 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -5.564 -3.117 24.839 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -4.854 -2.002 25.576 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -10.511 -9.801 31.697 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -11.223 -9.266 31.346 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -9.820 -9.745 31.037 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -10.457 -11.343 28.736 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -9.756 -11.321 29.387 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -10.155 -11.971 28.080 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -7.105 -9.591 32.649 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -7.837 -9.363 33.222 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -6.658 -10.305 33.104 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -8.234 -10.429 30.334 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -7.655 -10.279 31.081 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -7.820 -9.958 29.611 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -3.346 -4.313 28.524 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -3.273 -3.374 28.694 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -2.441 -4.618 28.467 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -7.934 -1.582 29.187 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -7.559 -2.326 28.716 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -7.930 -1.852 30.105 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -11.184 -15.520 28.634 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -11.438 -15.501 29.557 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -11.441 -16.392 28.333 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -12.349 -7.732 31.054 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -13.093 -8.239 30.731 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -12.483 -7.683 32.000 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -8.451 -14.918 29.253 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -9.389 -14.806 29.102 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -8.154 -14.061 29.559 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -7.733 -13.051 30.914 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -6.841 -13.188 31.233 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -7.676 -12.260 30.377 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -10.223 -6.273 30.079 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -10.518 -5.447 30.461 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -10.926 -6.893 30.275 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -7.160 -6.079 28.894 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -6.807 -6.459 29.698 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -8.109 -6.172 28.980 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -6.294 -7.406 31.120 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -6.571 -8.134 31.676 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -5.367 -7.287 31.326 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -14.132 -5.397 29.797 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -13.985 -5.917 30.587 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -14.135 -4.490 30.103 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -11.394 -3.699 30.546 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -12.211 -3.202 30.599 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -10.865 -3.224 29.906 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -14.056 -2.656 30.528 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -13.895 -1.856 30.027 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -14.253 -2.349 31.413 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -17.063 -5.530 29.204 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -16.471 -4.831 29.480 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -16.604 -5.963 28.485 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -6.427 -3.287 27.713 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -6.144 -4.081 28.166 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -5.687 -3.054 27.152 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -15.472 -7.377 27.570 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -15.408 -8.171 28.101 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -14.819 -7.496 26.881 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -14.323 -9.405 29.876 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -14.782 -9.889 30.562 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -14.068 -10.073 29.240 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -13.252 -11.162 28.139 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -13.432 -11.316 27.211 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -12.301 -11.054 28.183 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -3.862 -8.807 27.584 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -4.135 -9.232 26.771 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -3.822 -7.876 27.367 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -13.354 -0.471 29.140 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -12.421 -0.313 29.284 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -13.618 0.204 28.515 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -19.786 -5.835 28.623 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -18.872 -5.756 28.896 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -19.779 -6.522 27.956 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -2.741 -9.984 29.774 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -3.262 -9.627 29.055 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -2.774 -9.309 30.452 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -4.392 -12.744 28.325 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -4.295 -12.077 27.645 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -4.532 -13.560 27.843 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -5.144 -15.336 27.442 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -4.534 -15.708 28.079 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -5.981 -15.758 27.638 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -3.032 -16.451 28.985 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -2.619 -17.172 28.509 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -2.350 -15.781 29.043 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -10.709 -1.245 29.385 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -9.843 -0.879 29.207 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -10.956 -1.685 28.572 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -17.755 -1.535 28.013 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -18.023 -1.248 28.886 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -16.984 -2.081 28.165 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -5.147 18.642 -11.959 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -4.947 19.066 -12.794 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -4.491 18.985 -11.352 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -6.593 12.005 -1.746 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -7.034 11.285 -1.296 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -6.606 12.726 -1.116 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -17.007 13.131 0.080 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -17.377 12.329 -0.289 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -16.066 12.962 0.127 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -11.910 11.499 0.358 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -11.606 10.813 -0.236 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -11.188 11.617 0.976 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -9.435 12.412 -4.424 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -9.731 12.090 -5.275 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -9.759 13.312 -4.382 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -14.235 10.588 2.320 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -14.975 11.186 2.423 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -13.521 11.142 2.004 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -15.827 12.552 3.107 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -15.833 13.431 2.729 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -16.681 12.469 3.532 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -6.081 13.845 0.602 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -7.023 13.903 0.763 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -5.805 14.751 0.465 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -6.670 13.527 -4.264 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -6.927 12.837 -4.876 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -6.599 13.084 -3.419 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -7.208 7.439 4.005 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -7.128 8.202 4.577 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -7.809 7.718 3.314 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -14.093 13.323 -0.499 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -14.188 12.745 -1.256 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -13.364 12.952 -0.003 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -8.784 14.167 1.187 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -9.025 14.829 1.835 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -8.982 13.333 1.612 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -14.213 13.063 5.170 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -14.525 13.845 5.626 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -14.863 12.910 4.484 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -10.508 15.164 -3.943 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -10.034 15.459 -3.165 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -11.071 15.902 -4.176 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -3.346 14.543 -9.188 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -3.273 15.482 -9.018 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -2.441 14.238 -9.245 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -20.626 14.108 0.108 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -19.680 13.964 0.089 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -20.739 14.892 0.645 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -2.429 14.774 5.790 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -2.478 13.819 5.753 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -3.255 15.042 6.192 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -11.036 18.120 -5.528 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -11.111 17.999 -6.474 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -11.003 19.070 -5.409 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -17.382 16.909 -3.747 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -17.230 16.561 -2.868 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -18.233 16.553 -4.002 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -7.934 17.274 -8.525 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -7.559 16.530 -8.996 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -7.930 17.004 -7.607 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -5.277 6.267 6.270 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -5.684 6.748 5.550 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -5.236 5.362 5.963 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -18.128 12.651 4.267 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -17.911 12.290 5.127 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -18.983 12.277 4.057 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -7.520 4.599 4.491 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -8.034 4.473 5.288 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -7.675 5.511 4.246 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -10.783 6.899 6.575 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -11.346 6.195 6.895 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -9.957 6.779 7.042 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -5.147 18.642 6.897 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -4.947 19.066 6.062 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -4.491 18.985 7.504 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -17.549 11.116 6.505 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -16.816 11.370 7.066 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -18.329 11.320 7.020 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -10.829 11.308 4.579 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -11.175 10.927 5.385 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -11.029 12.242 4.650 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -10.223 12.583 -7.633 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -10.518 13.409 -7.251 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -10.926 11.963 -7.437 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -13.199 8.397 6.639 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -13.495 8.231 5.744 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -12.268 8.177 6.629 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -8.579 13.770 4.529 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -9.480 13.953 4.261 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -8.545 14.029 5.450 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -4.552 14.801 -6.639 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -4.925 13.975 -6.329 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -4.275 14.618 -7.536 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -14.849 13.937 -3.484 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -14.322 14.710 -3.685 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -15.729 14.162 -3.786 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -14.738 16.622 -4.363 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -15.688 16.727 -4.311 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -14.387 17.442 -4.018 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -9.363 11.848 2.108 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -9.789 11.621 2.934 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -8.782 11.110 1.925 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -7.160 12.777 -8.818 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -6.807 12.397 -8.014 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -8.109 12.684 -8.732 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -6.704 16.400 4.577 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -7.306 15.845 4.082 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -6.423 17.067 3.951 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -2.656 17.257 -8.617 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -1.913 17.843 -8.757 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -3.351 17.825 -8.284 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -6.294 11.450 -6.592 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -6.571 10.722 -6.036 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -5.367 11.569 -6.386 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -18.931 15.438 2.419 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -18.714 14.506 2.388 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -18.684 15.712 3.303 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -11.394 15.157 -7.166 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -12.211 15.654 -7.113 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -10.865 15.632 -7.806 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -11.327 5.740 3.991 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -11.208 6.314 4.748 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -10.672 5.052 4.106 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -14.056 16.200 -7.184 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -13.895 17.000 -7.685 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -14.253 16.507 -6.299 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -19.009 14.712 -4.558 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -19.841 15.185 -4.531 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -18.463 15.222 -5.157 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -11.031 15.752 -10.233 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -11.675 15.121 -9.911 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -10.269 15.221 -10.465 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -8.546 14.624 7.121 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -8.897 13.768 7.364 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -7.820 14.767 7.728 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -6.427 15.569 -9.999 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -6.144 14.775 -9.546 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -5.687 15.802 -10.560 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -19.813 11.135 7.726 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -19.669 10.233 7.440 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -20.586 11.421 7.238 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -13.158 11.105 7.159 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -13.486 11.376 6.301 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -13.006 10.164 7.071 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -7.423 11.021 4.542 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -6.678 11.609 4.422 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -8.180 11.603 4.605 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -15.034 7.344 4.520 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -15.652 8.019 4.801 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -14.690 7.665 3.687 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -10.014 9.815 7.798 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -9.061 9.899 7.770 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -10.174 9.104 8.417 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -14.694 4.699 5.603 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -14.544 3.970 5.000 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -14.692 5.476 5.044 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -6.968 9.112 6.441 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -7.249 9.821 5.863 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -6.025 9.039 6.290 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -16.216 5.897 7.514 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -16.983 5.365 7.304 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -15.537 5.587 6.915 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -12.212 4.847 7.090 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -12.448 4.627 7.992 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -12.995 4.640 6.581 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -9.496 3.974 6.166 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -10.444 4.006 6.298 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -9.184 3.349 6.820 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -7.862 2.608 8.171 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -7.959 1.656 8.165 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -8.184 2.877 9.032 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -12.901 1.502 8.252 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -13.032 1.026 7.431 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -13.500 2.246 8.196 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -13.354 18.385 -8.572 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -12.421 18.543 -8.428 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -13.618 19.060 -9.197 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -21.137 18.414 -4.012 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -21.784 17.952 -4.545 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -20.782 17.742 -3.429 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -20.267 16.495 -2.207 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -20.601 15.614 -2.035 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -20.045 16.840 -1.343 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -3.155 16.871 3.695 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -3.642 16.136 3.324 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -2.606 16.478 4.373 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -4.704 12.661 8.333 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -5.570 12.556 8.727 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -4.328 13.420 8.780 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -3.403 10.918 -6.153 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -2.553 11.339 -6.025 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -3.398 10.178 -5.545 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -4.763 14.634 2.926 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -5.411 14.959 3.551 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -5.281 14.194 2.251 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -4.366 9.462 5.873 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -3.783 8.728 6.064 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -3.802 10.234 5.919 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -18.595 14.323 6.888 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -19.416 14.498 6.428 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -18.847 14.250 7.809 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -8.734 16.920 2.345 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -9.638 17.085 2.079 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -8.305 17.773 2.279 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -19.573 16.401 -6.724 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -20.258 16.363 -7.392 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -19.570 17.314 -6.436 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -10.709 17.611 -8.327 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -9.843 17.977 -8.505 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -10.956 17.171 -9.140 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -17.755 17.321 -9.699 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -18.023 17.608 -8.826 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -16.984 16.775 -9.547 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -4.782 15.925 6.503 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -5.564 15.739 5.983 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -4.854 16.854 6.720 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -17.931 8.681 20.401 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -17.889 8.055 21.125 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -17.228 9.304 20.583 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -6.593 12.005 17.110 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -7.034 11.285 17.560 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -6.606 12.726 17.740 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -20.397 6.791 14.329 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -20.845 7.637 14.311 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -20.958 6.211 13.814 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -19.687 8.953 16.455 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -19.473 8.183 16.982 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -18.949 9.042 15.852 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -9.482 17.110 17.322 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -8.862 16.433 17.049 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -9.690 16.892 18.230 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -3.247 3.100 20.075 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -3.198 3.710 20.811 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -2.821 3.561 19.352 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -18.994 6.391 17.576 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -18.340 5.841 18.008 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -18.970 6.117 16.660 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -2.855 4.578 22.311 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -3.544 5.236 22.216 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -2.840 4.381 23.248 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -14.235 10.588 21.176 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -14.975 11.186 21.279 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -13.521 11.142 20.860 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -15.827 12.552 21.963 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -15.833 13.431 21.585 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -16.681 12.469 22.388 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -6.081 13.845 19.458 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -7.023 13.903 19.619 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -5.805 14.751 19.321 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -5.781 2.131 20.875 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -6.517 2.742 20.837 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -5.097 2.546 20.349 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -7.829 15.626 16.083 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -7.404 14.919 15.598 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -7.512 16.427 15.666 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -6.670 13.527 14.592 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -6.927 12.837 13.980 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -6.599 13.084 15.437 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -7.208 7.439 22.861 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -7.128 8.202 23.433 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -7.809 7.718 22.170 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -8.784 14.167 20.043 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -9.025 14.829 20.691 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -8.982 13.333 20.468 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -14.213 13.063 24.026 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -14.525 13.845 24.482 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -14.863 12.910 23.340 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -17.293 9.261 23.255 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -17.223 9.912 23.953 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -18.184 9.364 22.920 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -4.536 0.177 11.291 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -5.435 0.316 11.586 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -4.284 1.008 10.889 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -20.377 11.328 22.080 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -20.878 11.300 21.265 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -20.371 10.422 22.390 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -11.036 18.120 13.328 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -11.111 17.999 12.382 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -11.003 19.070 13.447 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -7.934 17.274 10.331 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -7.559 16.530 9.860 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -7.930 17.004 11.249 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -8.265 17.200 13.080 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -9.200 17.300 13.259 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -7.985 16.491 13.658 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -5.277 6.267 25.126 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -5.684 6.748 24.406 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -5.236 5.362 24.819 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -18.128 12.651 23.123 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -17.911 12.290 23.983 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -18.983 12.277 22.913 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -7.520 4.599 23.347 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -8.034 4.473 24.144 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -7.675 5.511 23.102 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -6.757 9.460 9.108 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -6.715 9.237 8.178 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -5.908 9.858 9.298 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -11.184 3.336 9.778 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -11.438 3.355 10.701 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -11.441 2.464 9.477 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -10.783 6.899 25.431 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -11.346 6.195 25.751 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -9.957 6.779 25.898 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -17.668 6.407 22.081 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -17.706 6.807 22.949 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -18.159 5.590 22.171 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -14.302 3.781 8.879 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -14.733 3.336 9.609 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -15.020 4.153 8.367 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -21.060 3.523 15.931 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -20.429 3.494 16.651 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -20.610 3.098 15.201 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -18.011 5.364 15.039 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -18.900 5.464 14.699 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -17.715 4.522 14.693 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -15.684 6.559 10.262 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -16.226 6.179 9.571 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -14.850 6.753 9.833 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -16.517 2.659 14.517 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -16.834 1.757 14.482 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -15.736 2.661 13.965 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -5.199 10.257 20.984 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -4.557 10.714 20.441 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -6.029 10.370 20.522 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -8.451 3.938 10.397 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -9.389 4.050 10.246 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -8.154 4.795 10.703 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -10.829 11.308 23.435 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -11.175 10.927 24.241 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -11.029 12.242 23.506 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -20.216 8.880 23.282 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -19.993 8.462 24.114 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -20.818 8.267 22.860 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -13.199 8.397 25.495 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -13.495 8.231 24.600 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -12.268 8.177 25.485 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -2.848 6.015 11.752 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -3.402 5.619 11.080 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -2.747 6.925 11.475 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -4.552 14.801 12.217 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -4.925 13.975 12.527 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -4.275 14.618 11.320 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -7.392 9.609 19.239 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -8.320 9.377 19.212 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -6.941 8.832 18.909 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -19.094 8.799 9.959 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -18.478 9.426 10.338 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -19.956 9.115 10.230 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -12.907 15.749 21.263 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -12.544 16.604 21.030 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -12.375 15.457 22.004 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -9.363 11.848 20.964 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -9.789 11.621 21.790 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -8.782 11.110 20.781 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -7.160 12.777 10.038 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -6.807 12.397 10.842 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -8.109 12.684 10.124 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -18.582 3.633 22.840 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -19.475 3.972 22.773 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -18.681 2.778 23.258 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -6.294 11.450 12.264 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -6.571 10.722 12.820 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -5.367 11.569 12.470 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -18.931 15.438 21.275 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -18.714 14.506 21.244 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -18.684 15.712 22.159 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -14.132 13.459 10.941 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -13.985 12.939 11.731 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -14.135 14.366 11.247 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -17.679 10.712 11.451 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -18.365 11.064 12.018 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -17.156 11.475 11.205 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -11.394 15.157 11.690 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -12.211 15.654 11.743 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -10.865 15.632 11.050 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -15.322 2.898 11.288 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -15.405 3.787 11.634 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -14.432 2.633 11.519 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -5.123 3.647 23.682 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -6.039 3.910 23.594 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -4.787 3.644 22.785 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -6.521 7.398 17.778 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -7.318 6.983 17.449 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -6.076 6.707 18.269 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -17.063 13.326 10.348 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -16.471 14.025 10.624 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -16.604 12.893 9.629 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -18.747 5.990 9.464 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -18.792 6.929 9.643 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -19.635 5.754 9.194 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -17.939 0.772 18.137 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -18.168 0.831 17.210 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -18.382 -0.020 18.444 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -6.427 15.569 8.857 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -6.144 14.775 9.310 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -5.687 15.802 8.296 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -15.472 11.479 8.714 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -15.408 10.685 9.245 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -14.819 11.360 8.025 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -10.120 12.526 8.450 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -10.388 12.706 9.351 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -10.326 11.600 8.319 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -7.423 11.021 23.398 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -6.678 11.609 23.278 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -8.180 11.603 23.461 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -15.034 7.344 23.376 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -15.652 8.019 23.657 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -14.690 7.665 22.543 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -3.862 10.049 8.728 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -4.135 9.624 7.915 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -3.822 10.980 8.511 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -14.694 4.699 24.459 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -14.544 3.970 23.856 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -14.692 5.476 23.900 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -12.700 8.508 22.191 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -11.949 8.352 21.618 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -13.039 9.360 21.915 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -8.284 6.323 27.219 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -8.092 5.392 27.108 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -7.427 6.748 27.209 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -16.216 5.897 26.370 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -16.983 5.365 26.160 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -15.537 5.587 25.771 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -12.212 4.847 25.946 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -12.448 4.627 26.848 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -12.995 4.640 25.437 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -7.862 2.608 27.027 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -7.959 1.656 27.021 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -8.184 2.877 27.888 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -18.035 3.818 26.075 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -17.824 3.111 25.464 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -18.147 3.380 26.919 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -12.901 1.502 27.108 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -13.032 1.026 26.287 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -13.500 2.246 27.052 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -19.786 13.021 9.767 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -18.872 13.100 10.040 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -19.779 12.334 9.100 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -3.403 10.918 12.703 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -2.553 11.339 12.831 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -3.398 10.178 13.311 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -3.009 8.971 14.527 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -3.735 8.492 14.925 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -2.428 9.177 15.259 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -2.741 8.872 10.918 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -3.262 9.229 10.199 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -2.774 9.547 11.596 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -4.392 6.112 9.469 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -4.295 6.779 8.789 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -4.532 5.296 8.987 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -5.222 7.492 15.090 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -5.372 6.547 15.070 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -5.576 7.773 15.934 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -20.187 9.570 19.100 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -20.003 9.488 18.165 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -19.338 9.446 19.524 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -5.144 3.520 8.586 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -4.534 3.148 9.223 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -5.981 3.098 8.782 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -5.512 5.075 13.552 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -5.232 4.168 13.677 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -4.753 5.509 13.163 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -4.900 5.656 18.988 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -3.967 5.868 18.954 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -5.135 5.758 19.911 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -4.871 6.393 21.764 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -5.714 6.661 22.130 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -4.428 7.215 21.553 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -2.588 0.373 27.118 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -2.238 -0.281 26.512 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -2.441 1.210 26.678 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -4.898 2.338 13.601 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -4.716 1.889 14.426 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -5.498 1.753 13.137 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -19.368 3.153 18.132 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -18.923 2.361 18.434 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -18.902 3.869 18.563 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -21.064 6.152 19.201 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -20.572 5.931 18.411 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -20.702 6.993 19.482 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -3.068 2.482 25.467 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -3.985 2.753 25.431 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -2.945 1.947 24.683 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -5.980 17.394 15.201 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -5.327 17.047 14.593 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -5.469 17.883 15.847 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -20.787 1.148 21.600 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -21.452 0.902 22.243 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -21.230 1.770 21.023 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -15.641 15.298 22.003 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -16.066 16.107 21.720 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -14.736 15.383 21.701 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -4.067 0.572 23.286 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -4.880 0.897 22.898 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -3.834 -0.188 22.753 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -18.239 18.554 22.050 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -18.959 18.994 21.599 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -18.605 18.303 22.899 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -15.772 18.154 21.080 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -16.637 18.226 21.484 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -15.827 18.701 20.296 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -11.061 18.042 20.256 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -11.518 18.571 19.602 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -10.898 18.645 20.981 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -8.734 16.920 21.201 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -9.638 17.085 20.935 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -8.305 17.773 21.135 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -18.824 17.177 18.961 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -18.843 16.752 19.818 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -18.019 16.859 18.552 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -5.495 0.128 17.721 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -4.891 0.676 17.220 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -6.364 0.448 17.481 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -3.768 1.267 16.055 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -3.156 0.753 15.528 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -3.385 2.145 16.078 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -18.311 0.655 15.431 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -19.088 0.421 14.923 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -17.780 -0.142 15.439 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -13.731 0.582 15.244 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -12.857 0.970 15.214 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -13.867 0.367 16.167 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -6.821 0.638 12.586 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -7.524 1.252 12.376 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -7.266 -0.200 12.717 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -17.613 2.369 9.677 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -17.122 1.739 9.149 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -16.990 2.665 10.340 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -12.587 2.662 12.134 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -12.409 2.016 12.817 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -12.641 3.496 12.601 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -18.353 1.169 24.948 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -18.719 0.404 25.391 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -17.440 1.198 25.235 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -16.380 0.520 26.484 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -15.481 0.246 26.299 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -16.766 -0.223 26.948 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -17.755 17.321 9.157 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -18.023 17.608 10.030 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -16.984 16.775 9.309 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -7.958 -0.148 26.666 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -7.882 -0.574 27.520 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -7.065 -0.134 26.324 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -11.184 3.336 28.634 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -11.438 3.355 29.557 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -11.441 2.464 28.333 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -14.302 3.781 27.735 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -14.733 3.336 28.465 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -15.020 4.153 27.223 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -8.451 3.938 29.253 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -9.389 4.050 29.102 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -8.154 4.795 29.559 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -5.144 3.520 27.442 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -4.534 3.148 28.079 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -5.981 3.098 27.638 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -10.299 27.922 -18.904 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -10.337 27.276 -18.199 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -10.622 27.456 -19.675 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -17.931 27.537 -17.311 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -17.889 26.911 -16.587 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -17.228 28.160 -17.129 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -19.687 27.809 -21.257 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -19.473 27.039 -20.730 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -18.949 27.898 -21.860 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -11.910 30.355 -18.498 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -11.606 29.669 -19.092 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -11.188 30.473 -17.880 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -18.994 25.247 -20.136 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -18.340 24.697 -19.704 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -18.970 24.973 -21.052 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -13.838 26.797 -20.920 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -13.222 26.271 -20.411 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -14.424 26.157 -21.324 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -17.210 23.660 -18.871 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -16.597 24.293 -18.498 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -16.698 23.188 -19.528 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -6.081 32.701 -18.254 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -7.023 32.759 -18.093 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -5.805 33.607 -18.391 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -4.984 30.949 -14.643 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -4.844 30.358 -15.382 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -4.816 31.822 -14.999 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -3.142 27.289 -16.577 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -3.794 27.984 -16.488 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -2.677 27.499 -17.387 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -7.208 26.295 -14.851 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -7.128 27.058 -14.279 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -7.809 26.574 -15.542 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -15.460 28.751 -22.036 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -15.790 28.381 -22.855 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -14.872 28.081 -21.690 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -14.093 32.179 -19.355 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -14.188 31.601 -20.112 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -13.364 31.808 -18.859 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -15.093 27.520 -18.403 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -14.528 27.641 -19.166 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -14.774 28.157 -17.764 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -8.784 33.023 -17.669 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -9.025 33.685 -17.021 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -8.982 32.189 -17.244 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -20.626 32.964 -18.748 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -19.680 32.820 -18.767 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -20.739 33.748 -18.211 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -2.429 33.630 -13.066 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -2.478 32.675 -13.103 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -3.255 33.898 -12.664 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -5.277 25.123 -12.586 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -5.684 25.604 -13.306 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -5.236 24.218 -12.893 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -7.520 23.455 -14.365 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -8.034 23.329 -13.568 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -7.675 24.367 -14.610 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -15.418 24.943 -17.498 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -16.060 24.902 -16.789 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -15.381 25.869 -17.736 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -10.783 25.755 -12.281 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -11.346 25.051 -11.961 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -9.957 25.635 -11.814 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -17.668 25.263 -15.631 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -17.706 25.663 -14.763 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -18.159 24.446 -15.541 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -9.617 26.664 -16.284 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -9.293 26.033 -16.927 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -10.057 26.129 -15.623 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -5.147 37.498 -11.959 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -4.947 37.922 -12.794 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -4.491 37.841 -11.352 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -11.519 25.379 -19.613 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -10.955 24.832 -20.160 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -11.667 24.857 -18.824 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -12.893 23.767 -17.199 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -13.728 24.221 -17.089 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -12.369 24.043 -16.447 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -5.199 29.113 -16.728 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -4.557 29.570 -17.271 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -6.029 29.226 -17.190 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -17.224 29.275 -19.745 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -16.479 29.273 -20.346 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -17.146 28.451 -19.263 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -8.579 32.626 -14.327 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -9.480 32.809 -14.595 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -8.545 32.885 -13.406 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -2.884 30.671 -13.123 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -3.736 30.909 -13.490 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -2.294 30.654 -13.876 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -7.392 28.465 -18.473 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -8.320 28.233 -18.500 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -6.941 27.688 -18.803 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -14.849 32.793 -22.340 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -14.322 33.566 -22.541 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -15.729 33.018 -22.642 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -13.422 30.456 -22.764 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -13.663 31.381 -22.722 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -14.162 29.997 -22.368 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -12.907 34.605 -16.449 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -12.544 35.460 -16.682 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -12.375 34.313 -15.708 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -9.363 30.704 -16.748 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -9.789 30.477 -15.922 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -8.782 29.966 -16.931 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -6.704 35.256 -14.279 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -7.306 34.701 -14.774 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -6.423 35.923 -14.905 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -18.582 22.489 -14.872 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -19.475 22.828 -14.939 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -18.681 21.634 -14.454 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -18.931 34.294 -16.437 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -18.714 33.362 -16.468 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -18.684 34.568 -15.553 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -11.327 24.596 -14.865 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -11.208 25.170 -14.108 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -10.672 23.908 -14.750 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -5.123 22.503 -14.030 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -6.039 22.766 -14.118 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -4.787 22.500 -14.927 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -7.423 29.877 -14.314 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -6.678 30.465 -14.434 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -8.180 30.459 -14.251 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -15.034 26.200 -14.336 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -15.652 26.875 -14.055 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -14.690 26.521 -15.169 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -10.014 28.671 -11.058 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -9.061 28.755 -11.086 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -10.174 27.960 -10.439 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -14.694 23.555 -13.253 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -14.544 22.826 -13.856 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -14.692 24.332 -13.812 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -14.282 21.925 -15.761 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -13.746 22.376 -16.413 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -15.134 21.817 -16.183 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -8.284 25.179 -10.493 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -8.092 24.248 -10.604 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -7.427 25.604 -10.503 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -12.212 23.703 -11.766 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -12.448 23.483 -10.864 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -12.995 23.496 -12.275 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -9.496 22.830 -12.690 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -10.444 22.862 -12.558 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -9.184 22.205 -12.036 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -7.862 21.464 -10.685 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -7.959 20.512 -10.691 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -8.184 21.733 -9.824 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -18.035 22.674 -11.637 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -17.824 21.967 -12.248 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -18.147 22.236 -10.793 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -12.901 20.358 -10.604 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -13.032 19.882 -11.425 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -13.500 21.102 -10.660 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -21.137 37.270 -22.868 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -21.784 36.808 -23.401 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -20.782 36.598 -22.285 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -20.267 35.351 -21.063 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -20.601 34.470 -20.891 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -20.045 35.696 -20.199 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -3.155 35.727 -15.161 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -3.642 34.992 -15.532 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -2.606 35.334 -14.483 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -4.763 33.490 -15.930 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -5.411 33.815 -15.305 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -5.281 33.050 -16.605 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -20.187 28.426 -18.612 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -20.003 28.344 -19.547 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -19.338 28.302 -18.188 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -2.869 26.221 -12.299 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -3.732 25.842 -12.464 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -2.265 25.482 -12.373 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -4.871 25.249 -15.948 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -5.714 25.517 -15.582 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -4.428 26.071 -16.159 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -20.589 23.697 -12.471 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -19.670 23.575 -12.235 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -21.039 22.947 -12.082 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -2.588 19.229 -10.594 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -2.238 18.575 -11.200 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -2.441 20.066 -11.034 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -21.064 25.008 -18.511 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -20.572 24.787 -19.301 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -20.702 25.849 -18.230 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -3.068 21.338 -12.245 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -3.985 21.609 -12.281 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -2.945 20.803 -13.029 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -11.330 35.553 -12.750 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -11.145 35.219 -11.872 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -10.483 35.862 -13.072 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -8.985 36.838 -13.506 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -8.308 36.206 -13.746 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -8.663 37.240 -12.698 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -4.067 19.428 -14.426 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -4.880 19.753 -14.814 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -3.834 18.668 -14.959 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -18.239 37.410 -15.662 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -18.959 37.850 -16.113 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -18.605 37.159 -14.813 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -15.772 37.010 -16.632 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -16.637 37.082 -16.228 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -15.827 37.557 -17.416 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -11.061 36.898 -17.456 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -11.518 37.427 -18.110 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -10.898 37.501 -16.731 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -8.734 35.776 -16.511 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -9.638 35.941 -16.777 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -8.305 36.629 -16.577 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -6.129 37.346 -16.216 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -6.311 38.262 -16.427 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -5.953 36.936 -17.063 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -18.824 36.033 -18.751 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -18.843 35.608 -17.894 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -18.019 35.715 -19.160 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -16.683 34.743 -20.096 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -16.902 33.827 -19.927 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -15.859 34.883 -19.630 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -14.146 35.213 -19.248 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -13.933 34.325 -19.535 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -14.081 35.179 -18.293 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -18.353 20.025 -12.764 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -18.719 19.260 -12.321 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -17.440 20.054 -12.477 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -16.380 19.376 -11.228 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -15.481 19.102 -11.413 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -16.766 18.633 -10.764 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -7.958 18.708 -11.046 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -7.882 18.282 -10.192 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -7.065 18.722 -11.388 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -2.656 36.113 -8.617 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -1.913 36.699 -8.757 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -3.351 36.681 -8.284 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -15.322 21.754 -7.568 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -15.405 22.643 -7.222 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -14.432 21.489 -7.337 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -11.031 34.608 -10.233 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -11.675 33.977 -9.911 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -10.269 34.077 -10.465 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -2.741 27.728 -7.938 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -3.262 28.085 -8.657 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -2.774 28.403 -7.260 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -4.392 24.968 -9.387 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -4.295 25.635 -10.067 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -4.532 24.152 -9.869 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -5.144 22.376 -10.270 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -4.534 22.004 -9.633 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -5.981 21.954 -10.074 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -2.588 19.229 8.262 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -2.238 18.575 7.656 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -2.441 20.066 7.822 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -19.474 19.309 -7.622 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -19.035 19.920 -8.213 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -20.108 19.847 -7.148 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -17.613 21.225 -9.179 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -17.122 20.595 -9.707 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -16.990 21.521 -8.516 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -12.587 21.518 -6.722 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -12.409 20.872 -6.039 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -12.641 22.352 -6.255 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -9.232 28.667 15.389 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -9.143 29.611 15.257 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -9.871 28.392 14.731 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -6.593 30.861 17.110 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -7.034 30.141 17.560 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -6.606 31.582 17.740 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -20.397 25.647 14.329 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -20.845 26.493 14.311 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -20.958 25.067 13.814 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -19.687 27.809 16.455 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -19.473 27.039 16.982 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -18.949 27.898 15.852 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -15.614 22.850 16.814 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -15.571 23.710 16.396 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -16.072 22.298 16.181 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -18.994 25.247 17.576 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -18.340 24.697 18.008 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -18.970 24.973 16.660 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -13.838 26.797 16.792 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -13.222 26.271 17.301 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -14.424 26.157 16.388 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -16.804 21.768 20.888 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -17.023 22.298 20.122 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -17.472 21.995 21.536 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -9.435 31.268 14.432 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -9.731 30.946 13.581 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -9.759 32.168 14.474 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -17.210 23.660 18.841 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -16.597 24.293 19.214 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -16.698 23.188 18.184 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -19.706 31.079 12.745 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -19.978 31.308 11.856 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -19.661 31.917 13.205 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -12.778 19.074 18.341 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -12.895 18.125 18.287 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -13.633 19.406 18.614 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -7.829 34.482 16.083 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -7.404 33.775 15.598 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -7.512 35.283 15.666 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -6.670 32.383 14.592 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -6.927 31.693 13.980 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -6.599 31.940 15.437 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -7.105 28.121 13.793 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -7.837 28.349 14.366 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -6.658 27.407 14.248 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -15.460 28.751 15.676 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -15.790 28.381 14.857 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -14.872 28.081 16.022 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -10.508 34.020 14.913 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -10.034 34.315 15.691 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -11.071 34.758 14.680 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -4.536 19.033 11.291 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -5.435 19.172 11.586 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -4.284 19.864 10.889 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -16.470 27.821 13.265 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -16.762 28.589 12.774 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -17.144 27.161 13.102 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -11.036 36.976 13.328 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -11.111 36.855 12.382 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -11.003 37.926 13.447 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -8.265 36.056 13.080 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -9.200 36.156 13.259 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -7.985 35.347 13.658 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -15.509 19.977 19.119 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -16.370 19.890 18.711 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -15.531 20.833 19.546 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -15.421 25.164 15.126 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -16.314 24.823 15.067 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -14.970 24.787 14.370 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -9.885 25.580 13.943 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -10.294 26.395 13.651 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -9.165 25.440 13.328 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -12.839 22.591 16.212 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -13.750 22.648 16.501 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -12.334 22.531 17.023 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -18.011 24.220 15.039 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -18.900 24.320 14.699 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -17.715 23.378 14.693 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -14.358 24.220 12.695 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -13.426 24.349 12.873 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -14.573 24.890 12.046 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -15.684 25.415 10.262 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -16.226 25.035 9.571 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -14.850 25.609 9.833 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -8.451 22.794 10.397 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -9.389 22.906 10.246 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -8.154 23.651 10.703 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -7.733 24.661 12.058 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -6.841 24.524 12.377 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -7.676 25.452 11.521 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -2.848 24.871 11.752 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -3.402 24.475 11.080 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -2.747 25.781 11.475 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -4.552 33.657 12.217 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -4.925 32.831 12.527 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -4.275 33.474 11.320 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -14.849 32.793 15.372 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -14.322 33.566 15.171 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -15.729 33.018 15.070 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -19.094 27.655 9.959 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -18.478 28.282 10.338 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -19.956 27.971 10.230 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -13.422 30.456 14.948 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -13.663 31.381 14.990 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -14.162 29.997 15.344 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -14.738 35.478 14.493 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -15.688 35.583 14.545 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -14.387 36.298 14.838 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -2.656 36.113 10.239 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -1.913 36.699 10.099 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -3.351 36.681 10.572 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -18.582 22.489 22.840 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -19.475 22.828 22.773 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -18.681 21.634 23.258 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -17.679 29.568 11.451 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -18.365 29.920 12.018 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -17.156 30.331 11.205 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -9.063 21.882 12.827 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -8.843 22.354 12.024 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -8.505 22.277 13.498 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -11.394 34.013 11.690 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -12.211 34.510 11.743 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -10.865 34.488 11.050 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -11.863 23.610 13.662 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -11.051 24.114 13.708 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -12.108 23.465 14.576 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -10.979 20.691 14.600 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -11.326 21.309 15.245 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -10.321 21.192 14.119 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -14.056 35.056 11.672 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -13.895 35.856 11.171 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -14.253 35.363 12.557 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -15.322 21.754 11.288 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -15.405 22.643 11.634 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -14.432 21.489 11.519 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -19.009 33.568 14.298 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -19.841 34.041 14.325 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -18.463 34.078 13.699 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -13.476 19.381 22.383 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -13.574 20.328 22.277 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -14.219 19.009 21.907 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -19.786 31.877 9.767 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -18.872 31.956 10.040 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -19.779 31.190 9.100 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -3.403 29.774 12.703 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -2.553 30.195 12.831 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -3.398 29.034 13.311 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -3.009 27.827 14.527 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -3.735 27.348 14.925 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -2.428 28.033 15.259 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -2.741 27.728 10.918 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -3.262 28.085 10.199 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -2.774 28.403 11.596 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -5.222 26.348 15.090 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -5.372 25.403 15.070 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -5.576 26.629 15.934 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -5.512 23.931 13.552 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -5.232 23.024 13.677 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -4.753 24.365 13.163 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -4.898 21.194 13.601 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -4.716 20.745 14.426 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -5.498 20.609 13.137 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -21.064 25.008 19.201 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -20.572 24.787 18.411 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -20.702 25.849 19.482 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -3.032 21.261 10.129 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -2.619 20.540 9.653 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -2.350 21.931 10.187 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -5.980 36.250 15.201 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -5.327 35.903 14.593 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -5.469 36.739 15.847 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -20.787 20.004 21.600 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -21.452 19.758 22.243 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -21.230 20.626 21.023 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -10.637 20.877 17.609 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -11.312 20.248 17.864 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -10.073 20.393 17.006 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -8.174 19.468 16.893 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -8.098 19.563 15.944 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -8.450 18.560 17.022 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -6.821 19.494 12.586 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -7.524 20.108 12.376 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -7.266 18.656 12.717 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -19.573 35.257 12.132 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -20.258 35.219 11.464 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -19.570 36.170 12.420 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -12.587 21.518 12.134 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -12.409 20.872 12.817 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -12.641 22.352 12.601 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -4.000 36.030 13.209 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -4.194 35.282 12.644 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -4.039 36.788 12.625 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -17.755 36.177 9.157 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -18.023 36.464 10.030 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -16.984 35.631 9.309 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -17.007 50.843 -18.776 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -17.377 50.041 -19.145 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -16.066 50.674 -18.729 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -20.397 44.503 -23.383 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -20.845 45.349 -23.401 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -20.958 43.923 -23.898 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -19.687 46.665 -21.257 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -19.473 45.895 -20.730 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -18.949 46.754 -21.860 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -18.994 44.103 -20.136 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -18.340 43.553 -19.704 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -18.970 43.829 -21.052 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -16.804 40.624 -16.824 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -17.023 41.154 -17.590 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -17.472 40.851 -16.176 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -14.235 48.300 -16.536 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -14.975 48.898 -16.433 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -13.521 48.854 -16.852 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -17.210 42.516 -18.871 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -16.597 43.149 -18.498 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -16.698 42.044 -19.528 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -15.827 50.264 -15.749 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -15.833 51.143 -16.127 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -16.681 50.181 -15.324 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -19.706 49.935 -24.967 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -19.978 50.164 -25.856 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -19.661 50.773 -24.507 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -15.460 47.607 -22.036 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -15.790 47.237 -22.855 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -14.872 46.937 -21.690 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -14.093 51.035 -19.355 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -14.188 50.457 -20.112 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -13.364 50.664 -18.859 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -15.093 46.376 -18.403 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -14.528 46.497 -19.166 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -14.774 47.013 -17.764 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -14.213 50.775 -13.686 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -14.525 51.557 -13.230 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -14.863 50.622 -14.372 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -17.293 46.973 -14.457 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -17.223 47.624 -13.759 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -18.184 47.076 -14.792 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -15.974 52.847 -12.922 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -15.966 52.711 -13.870 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -16.890 52.729 -12.670 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -5.277 43.979 -12.586 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -5.684 44.460 -13.306 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -5.236 43.074 -12.893 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -15.418 43.799 -17.498 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -16.060 43.758 -16.789 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -15.381 44.725 -17.736 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -10.783 44.611 -12.281 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -11.346 43.907 -11.961 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -9.957 44.491 -11.814 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -17.668 44.119 -15.631 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -17.706 44.519 -14.763 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -18.159 43.302 -15.541 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -21.060 41.235 -21.781 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -20.429 41.206 -21.061 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -20.610 40.810 -22.511 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -18.011 43.076 -22.673 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -18.900 43.176 -23.013 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -17.715 42.234 -23.019 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -17.549 48.828 -12.351 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -16.816 49.082 -11.790 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -18.329 49.032 -11.836 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -17.224 48.131 -19.745 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -16.479 48.129 -20.346 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -17.146 47.307 -19.263 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -13.199 46.109 -12.217 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -13.495 45.943 -13.112 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -12.268 45.889 -12.227 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -18.582 41.345 -14.872 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -19.475 41.684 -14.939 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -18.681 40.490 -14.454 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -18.931 53.150 -16.437 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -18.714 52.218 -16.468 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -18.684 53.424 -15.553 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -17.939 38.484 -19.575 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -18.168 38.543 -20.502 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -18.382 37.692 -19.268 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -19.009 52.424 -23.414 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -19.841 52.897 -23.387 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -18.463 52.934 -24.013 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -19.720 55.037 -12.084 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -19.180 54.820 -11.325 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -20.201 54.231 -12.274 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -19.813 48.847 -11.130 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -19.669 47.945 -11.416 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -20.586 49.133 -11.618 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -18.981 46.047 -11.710 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -18.573 45.190 -11.831 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -19.241 46.062 -10.789 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -15.034 45.056 -14.336 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -15.652 45.731 -14.055 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -14.690 45.377 -15.169 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -10.014 47.527 -11.058 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -9.061 47.611 -11.086 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -10.174 46.816 -10.439 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -14.694 42.411 -13.253 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -14.544 41.682 -13.856 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -14.692 43.188 -13.812 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -8.284 44.035 -10.493 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -8.092 43.104 -10.604 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -7.427 44.460 -10.503 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -16.216 43.609 -11.342 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -16.983 43.077 -11.552 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -15.537 43.299 -11.941 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -13.476 38.237 -15.329 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -13.574 39.184 -15.435 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -14.219 37.865 -15.805 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -12.212 42.559 -11.766 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -12.448 42.339 -10.864 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -12.995 42.352 -12.275 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -9.496 41.686 -12.690 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -10.444 41.718 -12.558 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -9.184 41.061 -12.036 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -7.862 40.320 -10.685 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -7.959 39.368 -10.691 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -8.184 40.589 -9.824 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -18.035 41.530 -11.637 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -17.824 40.823 -12.248 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -18.147 41.092 -10.793 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -13.254 37.531 -12.658 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -12.542 36.891 -12.672 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -13.355 37.798 -13.572 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -12.901 39.214 -10.604 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -13.032 38.738 -11.425 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -13.500 39.958 -10.660 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -20.267 54.207 -21.063 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -20.601 53.326 -20.891 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -20.045 54.552 -20.199 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -2.588 38.085 -10.594 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -2.238 37.431 -11.200 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -2.441 38.922 -11.034 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -19.368 40.865 -19.580 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -18.923 40.073 -19.278 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -18.902 41.581 -19.149 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -3.068 40.194 -12.245 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -3.985 40.465 -12.281 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -2.945 39.659 -13.029 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -20.751 40.122 -24.456 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -21.676 40.331 -24.586 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -20.297 40.606 -25.146 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -20.787 38.860 -16.112 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -21.452 38.614 -15.469 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -21.230 39.482 -16.689 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -18.595 52.035 -11.968 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -19.416 52.210 -12.428 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -18.847 51.962 -11.047 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -15.641 53.010 -15.709 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -16.066 53.819 -15.992 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -14.736 53.095 -16.011 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -4.067 38.284 -14.426 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -4.880 38.609 -14.814 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -3.834 37.524 -14.959 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -18.239 56.266 -15.662 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -18.959 56.706 -16.113 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -18.605 56.015 -14.813 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -18.824 54.889 -18.751 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -18.843 54.464 -17.894 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -18.019 54.571 -19.160 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -16.683 53.599 -20.096 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -16.902 52.683 -19.927 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -15.859 53.739 -19.630 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -18.311 38.367 -22.281 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -19.088 38.133 -22.789 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -17.780 37.570 -22.273 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -18.353 38.881 -12.764 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -18.719 38.116 -12.321 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -17.440 38.910 -12.477 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -7.958 37.564 -11.046 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -7.882 37.138 -10.192 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -7.065 37.578 -11.388 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -9.232 47.523 -3.467 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -9.143 48.467 -3.599 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -9.871 47.248 -4.125 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -17.931 46.393 1.545 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -17.889 45.767 2.269 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -17.228 47.016 1.727 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -6.593 49.717 -1.746 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -7.034 48.997 -1.296 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -6.606 50.438 -1.116 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -19.687 46.665 -2.401 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -19.473 45.895 -1.874 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -18.949 46.754 -3.004 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -11.910 49.211 0.358 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -11.606 48.525 -0.236 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -11.188 49.329 0.976 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -18.994 44.103 -1.280 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -18.340 43.553 -0.848 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -18.970 43.829 -2.196 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -13.838 45.653 -2.064 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -13.222 45.127 -1.555 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -14.424 45.013 -2.468 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -9.435 50.124 -4.424 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -9.731 49.802 -5.275 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -9.759 51.024 -4.382 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -14.235 48.300 2.320 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -14.975 48.898 2.423 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -13.521 48.854 2.004 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -19.706 49.935 -6.111 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -19.978 50.164 -7.000 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -19.661 50.773 -5.651 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -6.670 51.239 -4.264 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -6.927 50.549 -4.876 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -6.599 50.796 -3.419 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -4.984 49.805 4.213 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -4.844 49.214 3.474 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -4.816 50.678 3.857 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -10.511 46.767 -6.015 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -11.223 47.302 -6.366 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -9.820 46.823 -6.675 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -10.457 45.225 -8.976 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -9.756 45.247 -8.325 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -10.155 44.597 -9.632 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -3.142 46.145 2.279 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -3.794 46.840 2.368 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -2.677 46.355 1.469 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -7.105 46.977 -5.063 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -7.837 47.205 -4.490 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -6.658 46.263 -4.608 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -15.460 47.607 -3.180 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -15.790 47.237 -3.999 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -14.872 46.937 -2.834 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -15.093 46.376 0.453 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -14.528 46.497 -0.310 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -14.774 47.013 1.092 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -8.234 46.139 -7.378 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -7.655 46.289 -6.631 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -7.820 46.610 -8.101 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -17.293 46.973 4.399 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -17.223 47.624 5.097 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -18.184 47.076 4.064 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -16.470 46.677 -5.591 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -16.762 47.445 -6.082 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -17.144 46.017 -5.754 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -6.757 47.172 -9.748 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -6.715 46.949 -10.678 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -5.908 47.570 -9.558 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -10.783 44.611 6.575 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -11.346 43.907 6.895 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -9.957 44.491 7.042 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -17.668 44.119 3.225 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -17.706 44.519 4.093 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -18.159 43.302 3.315 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -12.349 48.836 -6.658 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -13.093 48.329 -6.981 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -12.483 48.885 -5.712 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -5.199 47.969 2.128 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -4.557 48.426 1.585 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -6.029 48.082 1.666 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -10.829 49.020 4.579 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -11.175 48.639 5.385 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -11.029 49.954 4.650 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -17.224 48.131 -0.889 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -16.479 48.129 -1.490 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -17.146 47.307 -0.407 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -20.216 46.592 4.426 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -19.993 46.174 5.258 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -20.818 45.979 4.004 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -13.199 46.109 6.639 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -13.495 45.943 5.744 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -12.268 45.889 6.629 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -7.392 47.321 0.383 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -8.320 47.089 0.356 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -6.941 46.544 0.053 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -13.422 49.312 -3.908 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -13.663 50.237 -3.866 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -14.162 48.853 -3.512 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -9.363 49.560 2.108 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -9.789 49.333 2.934 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -8.782 48.822 1.925 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -6.294 49.162 -6.592 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -6.571 48.434 -6.036 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -5.367 49.281 -6.386 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -17.679 48.424 -7.405 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -18.365 48.776 -6.838 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -17.156 49.187 -7.651 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -7.423 48.733 4.542 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -6.678 49.321 4.422 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -8.180 49.315 4.605 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -18.981 46.047 7.146 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -18.573 45.190 7.025 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -19.241 46.062 8.067 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -14.323 47.163 -7.836 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -14.782 46.679 -7.150 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -14.068 46.495 -8.472 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -15.034 45.056 4.520 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -15.652 45.731 4.801 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -14.690 45.377 3.687 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -13.252 45.406 -9.573 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -13.432 45.252 -10.501 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -12.301 45.514 -9.529 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -10.014 47.527 7.798 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -9.061 47.611 7.770 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -10.174 46.816 8.417 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -3.862 47.761 -10.128 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -4.135 47.336 -10.941 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -3.822 48.692 -10.345 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -14.694 42.411 5.603 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -14.544 41.682 5.000 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -14.692 43.188 5.044 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -12.700 46.220 3.335 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -11.949 46.064 2.762 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -13.039 47.072 3.059 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -8.284 44.035 8.363 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -8.092 43.104 8.252 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -7.427 44.460 8.353 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -6.968 46.824 6.441 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -7.249 47.533 5.863 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -6.025 46.751 6.290 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -16.216 43.609 7.514 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -16.983 43.077 7.304 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -15.537 43.299 6.915 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -12.212 42.559 7.090 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -12.448 42.339 7.992 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -12.995 42.352 6.581 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -7.862 40.320 8.171 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -7.959 39.368 8.165 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -8.184 40.589 9.032 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -19.786 50.733 -9.089 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -18.872 50.812 -8.816 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -19.779 50.046 -9.756 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -3.403 48.630 -6.153 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -2.553 49.051 -6.025 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -3.398 47.890 -5.545 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -3.250 49.468 0.619 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -2.416 49.090 0.338 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -3.138 50.411 0.500 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -2.741 46.584 -7.938 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -3.262 46.941 -8.657 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -2.774 47.259 -7.260 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -4.392 43.824 -9.387 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -4.295 44.491 -10.067 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -4.532 43.008 -9.869 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -20.187 47.282 0.244 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -20.003 47.200 -0.691 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -19.338 47.158 0.668 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -4.366 47.174 5.873 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -3.783 46.440 6.064 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -3.802 47.946 5.919 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -2.869 45.077 6.557 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -3.732 44.698 6.392 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -2.265 44.338 6.483 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -5.144 41.232 -10.270 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -4.534 40.860 -9.633 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -5.981 40.810 -10.074 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -21.064 43.864 0.345 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -20.572 43.643 -0.445 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -20.702 44.705 0.626 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -3.032 40.117 -8.727 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -2.619 39.396 -9.203 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -2.350 40.787 -8.669 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -16.380 38.232 7.628 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -15.481 37.958 7.443 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -16.766 37.489 8.092 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -10.457 45.225 9.880 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -9.756 45.247 10.531 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -10.155 44.597 9.224 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -4.536 37.889 11.291 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -5.435 38.028 11.586 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -4.284 38.720 10.889 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -6.757 47.172 9.108 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -6.715 46.949 8.178 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -5.908 47.570 9.298 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -14.302 41.493 8.879 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -14.733 41.048 9.609 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -15.020 41.865 8.367 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -19.785 41.981 11.355 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -19.311 42.572 10.770 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -20.503 42.512 11.702 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -14.358 43.076 12.695 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -13.426 43.205 12.873 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -14.573 43.746 12.046 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -15.684 44.271 10.262 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -16.226 43.891 9.571 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -14.850 44.465 9.833 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -8.451 41.650 10.397 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -9.389 41.762 10.246 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -8.154 42.507 10.703 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -7.733 43.517 12.058 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -6.841 43.380 12.377 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -7.676 44.308 11.521 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -9.063 40.738 12.827 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -8.843 41.210 12.024 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -8.505 41.133 13.498 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -11.863 42.466 13.662 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -11.051 42.970 13.708 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -12.108 42.321 14.576 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -10.979 39.547 14.600 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -11.326 40.165 15.245 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -10.321 40.048 14.119 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -15.322 40.610 11.288 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -15.405 41.499 11.634 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -14.432 40.345 11.519 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -18.747 43.702 9.464 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -18.792 44.641 9.643 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -19.635 43.466 9.194 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -13.252 45.406 9.283 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -13.432 45.252 8.355 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -12.301 45.514 9.327 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -4.392 43.824 9.469 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -4.295 44.491 8.789 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -4.532 43.008 8.987 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -5.144 41.232 8.586 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -4.534 40.860 9.223 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -5.981 40.810 8.782 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -4.898 40.050 13.601 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -4.716 39.601 14.426 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -5.498 39.465 13.137 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -3.032 40.117 10.129 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -2.619 39.396 9.653 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -2.350 40.787 10.187 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -19.474 38.165 11.234 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -19.035 38.776 10.643 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -20.108 38.703 11.708 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -13.731 38.294 15.244 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -12.857 38.682 15.214 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -13.867 38.079 16.167 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -6.821 38.350 12.586 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -7.524 38.964 12.376 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -7.266 37.512 12.717 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -17.613 40.081 9.677 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -17.122 39.451 9.149 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -16.990 40.377 10.340 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -12.587 40.374 12.134 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -12.409 39.728 12.817 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -12.641 41.208 12.601 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -0.957 -26.577 7.726 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -0.813 -27.479 7.440 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -1.730 -26.291 7.238 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 0.925 -29.031 20.401 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 0.967 -29.657 21.125 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 1.628 -28.408 20.583 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 1.849 -24.581 18.936 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 1.479 -25.383 18.567 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 2.790 -24.750 18.983 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -1.541 -30.921 14.329 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -1.989 -30.075 14.311 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -2.102 -31.501 13.814 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -0.138 -31.321 17.576 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 0.516 -31.871 18.008 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -0.114 -31.595 16.660 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 4.621 -27.124 21.176 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 3.881 -26.526 21.279 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 5.335 -26.570 20.860 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 3.029 -25.160 21.963 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 3.023 -24.281 21.585 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 2.175 -25.243 22.388 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 3.396 -27.817 15.676 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 3.066 -28.187 14.857 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 3.984 -28.487 16.022 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 3.763 -29.048 19.309 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 4.328 -28.927 18.546 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 4.082 -28.411 19.948 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 1.563 -28.451 23.255 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 1.633 -27.800 23.953 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 0.672 -28.348 22.920 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 2.882 -22.577 24.790 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 2.890 -22.713 23.842 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 1.966 -22.695 25.042 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 2.386 -28.747 13.265 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 2.094 -27.979 12.774 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 1.712 -29.407 13.102 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 1.474 -20.803 15.109 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 1.626 -21.151 15.988 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 0.623 -21.159 14.854 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 0.728 -25.061 23.123 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 0.945 -25.422 23.983 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -0.127 -25.435 22.913 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 1.188 -31.305 22.081 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 1.150 -30.905 22.949 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 0.697 -32.122 22.171 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -2.204 -34.189 15.931 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -1.573 -34.218 16.651 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -1.754 -34.614 15.201 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 0.845 -32.348 15.039 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -0.044 -32.248 14.699 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 1.141 -33.190 14.693 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 1.307 -26.596 25.361 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 2.040 -26.342 25.922 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 0.527 -26.392 25.876 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 1.632 -27.293 17.967 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 2.377 -27.295 17.366 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 1.710 -28.117 18.449 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -1.360 -28.832 23.282 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -1.137 -29.250 24.114 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -1.962 -29.445 22.860 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 4.007 -23.775 15.372 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 4.534 -23.002 15.171 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 3.127 -23.550 15.070 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -0.238 -28.913 9.959 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 0.378 -28.286 10.338 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -1.100 -28.597 10.230 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 1.177 -27.000 11.451 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 0.491 -26.648 12.018 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 1.700 -26.237 11.205 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 1.793 -24.386 10.348 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 2.385 -23.687 10.624 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 2.252 -24.819 9.629 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -0.153 -23.000 14.298 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -0.985 -22.527 14.325 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 0.393 -22.490 13.699 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -0.864 -20.387 25.628 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -0.324 -20.604 26.387 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -1.345 -21.193 25.438 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -0.957 -26.577 26.582 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -0.813 -27.479 26.296 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -1.730 -26.291 26.094 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -0.125 -29.377 26.002 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 0.283 -30.234 25.881 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -0.385 -29.362 26.923 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -0.930 -24.691 9.767 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -0.016 -24.612 10.040 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -0.923 -25.378 9.100 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -2.281 -19.298 14.844 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -2.928 -19.760 14.311 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -1.926 -19.970 15.427 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -2.208 -31.560 19.201 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -1.716 -31.781 18.411 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -1.846 -30.719 19.482 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 0.261 -23.389 25.744 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -0.560 -23.214 25.284 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 0.009 -23.462 26.665 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 3.215 -22.414 22.003 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 2.790 -21.605 21.720 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 4.120 -22.329 21.701 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 0.617 -19.158 22.050 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -0.103 -18.718 21.599 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 0.251 -19.409 22.899 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 3.084 -19.558 21.080 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 2.219 -19.486 21.484 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 3.029 -19.011 20.296 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 0.032 -20.535 18.961 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 0.013 -20.960 19.818 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 0.837 -20.853 18.552 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 2.173 -21.825 17.616 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 1.954 -22.741 17.785 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 2.997 -21.685 18.082 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -0.717 -21.311 12.132 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -1.402 -21.349 11.464 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -0.714 -20.398 12.420 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -0.930 -24.691 28.623 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -0.016 -24.612 28.896 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -0.923 -25.378 27.956 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 1.849 -5.725 18.936 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 1.479 -6.527 18.567 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 2.790 -5.894 18.983 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -1.541 -12.065 14.329 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -1.989 -11.219 14.311 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -2.102 -12.645 13.814 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 3.242 -14.862 16.814 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 3.285 -14.002 16.396 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 2.784 -15.414 16.181 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 5.018 -10.915 16.792 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 5.634 -11.441 17.301 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 4.432 -11.555 16.388 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 2.052 -15.944 20.888 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 1.833 -15.414 20.122 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 1.384 -15.717 21.536 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 4.621 -8.268 21.176 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 3.881 -7.670 21.279 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 5.335 -7.714 20.860 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 1.646 -14.052 18.841 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 2.259 -13.419 19.214 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 2.158 -14.524 18.184 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 3.029 -6.304 21.963 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 3.023 -5.425 21.585 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 2.175 -6.387 22.388 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -0.850 -6.633 12.745 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -1.122 -6.404 11.856 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -0.805 -5.795 13.205 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 3.396 -8.961 15.676 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 3.066 -9.331 14.857 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 3.984 -9.631 16.022 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 4.763 -5.533 18.357 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 4.668 -6.111 17.600 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 5.492 -5.904 18.853 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 3.763 -10.192 19.309 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 4.328 -10.071 18.546 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 4.082 -9.555 19.948 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 4.643 -5.793 24.026 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 4.331 -5.011 24.482 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 3.993 -5.946 23.340 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 2.882 -3.721 24.790 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 2.890 -3.857 23.842 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 1.966 -3.839 25.042 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 2.386 -9.891 13.265 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 2.094 -9.123 12.774 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 1.712 -10.551 13.102 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 3.438 -12.769 20.214 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 2.796 -12.810 20.923 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 3.475 -11.843 19.976 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 3.435 -12.548 15.126 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 2.542 -12.889 15.067 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 3.886 -12.925 14.370 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -0.929 -14.587 11.355 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -0.455 -13.996 10.770 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -1.647 -14.056 11.702 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 0.845 -13.492 15.039 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -0.044 -13.392 14.699 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 1.141 -14.334 14.693 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 1.307 -7.740 25.361 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 2.040 -7.486 25.922 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 0.527 -7.536 25.876 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 5.657 -10.459 25.495 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 5.361 -10.625 24.600 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 6.588 -10.679 25.485 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 0.274 -15.223 22.840 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -0.619 -14.884 22.773 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 0.175 -16.078 23.258 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -0.075 -3.418 21.275 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 0.142 -4.350 21.244 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 0.172 -3.144 22.159 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 0.917 -18.084 18.137 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 0.688 -18.025 17.210 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 0.474 -18.876 18.444 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -0.153 -4.144 14.298 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -0.985 -3.671 14.325 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 0.393 -3.634 13.699 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -0.864 -1.531 25.628 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -0.324 -1.748 26.387 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -1.345 -2.337 25.438 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 -0.957 -7.721 26.582 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 -0.813 -8.623 26.296 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 -1.730 -7.435 26.094 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -0.125 -10.521 26.002 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 0.283 -11.378 25.881 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 -0.385 -10.506 26.923 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 3.822 -11.512 23.376 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 3.204 -10.837 23.657 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 4.166 -11.191 22.543 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 4.162 -14.157 24.459 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 4.312 -14.886 23.856 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 4.164 -13.380 23.900 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 6.156 -10.348 22.191 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 6.907 -10.504 21.618 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 5.817 -9.496 21.915 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 2.640 -12.959 26.370 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 1.873 -13.491 26.160 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 3.319 -13.269 25.771 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 0.821 -15.038 26.075 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 1.032 -15.745 25.464 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 0.709 -15.476 26.919 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -2.281 -0.442 14.844 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -2.928 -0.904 14.311 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -1.926 -1.114 15.427 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -1.411 -2.361 16.649 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -1.745 -3.242 16.821 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -1.189 -2.016 17.513 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -1.733 -14.015 25.241 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -0.814 -14.137 25.477 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -2.183 -14.765 25.630 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -0.512 -15.703 18.132 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -0.067 -16.495 18.434 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -0.046 -14.987 18.563 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -1.895 -16.446 13.256 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -2.820 -16.237 13.126 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -1.441 -15.962 12.566 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -1.931 -17.708 21.600 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -2.596 -17.954 22.243 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -2.374 -17.086 21.023 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 0.261 -4.533 25.744 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -0.560 -4.358 25.284 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 0.009 -4.606 26.665 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 3.215 -3.558 22.003 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 2.790 -2.749 21.720 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 4.120 -3.473 21.701 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 0.617 -0.302 22.050 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -0.103 0.138 21.599 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 0.251 -0.553 22.899 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 0.032 -1.679 18.961 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 0.013 -2.104 19.818 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 0.837 -1.997 18.552 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 2.173 -2.969 17.616 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 1.954 -3.885 17.785 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 2.997 -2.829 18.082 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 0.545 -18.201 15.431 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -0.232 -18.435 14.923 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 1.076 -18.998 15.439 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -0.618 -18.403 11.234 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -0.179 -17.792 10.643 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -1.252 -17.865 11.708 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 0.503 -17.687 24.948 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 0.137 -18.452 25.391 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 1.416 -17.658 25.235 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -0.238 -10.057 28.815 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 0.378 -9.430 29.194 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -1.100 -9.741 29.086 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 0.109 -12.866 28.320 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 0.064 -11.927 28.499 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -0.779 -13.102 28.050 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 3.384 -7.377 27.570 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 3.448 -8.171 28.101 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 4.037 -7.496 26.881 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -0.930 -5.835 28.623 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -0.016 -5.756 28.896 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -0.923 -6.522 27.956 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -0.864 17.325 -12.084 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -0.324 17.108 -11.325 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -1.345 16.519 -12.274 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 3.733 16.244 -10.464 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 4.501 15.785 -10.123 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 3.712 16.018 -11.394 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 0.261 14.323 -11.968 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -0.560 14.498 -12.428 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 0.009 14.250 -11.047 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -1.770 14.108 0.108 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -0.824 13.964 0.089 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -1.883 14.892 0.645 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 7.820 18.120 -5.528 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 7.745 17.999 -6.474 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 7.853 19.070 -5.409 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 1.474 16.909 -3.747 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 1.626 16.561 -2.868 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 0.623 16.553 -4.002 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 4.007 13.937 -3.484 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 4.534 14.710 -3.685 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 3.127 14.162 -3.786 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 4.118 16.622 -4.363 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 3.168 16.727 -4.311 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 4.469 17.442 -4.018 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -0.075 15.438 2.419 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 0.142 14.506 2.388 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 0.172 15.712 3.303 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 4.800 16.200 -7.184 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 4.961 17.000 -7.685 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 4.603 16.507 -6.299 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 1.793 13.326 -8.508 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 2.385 14.025 -8.232 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 2.252 12.893 -9.227 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -0.153 14.712 -4.558 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -0.985 15.185 -4.531 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 0.393 15.222 -5.157 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -0.864 17.325 6.772 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -0.324 17.108 7.531 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -1.345 16.519 6.582 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 5.502 18.385 -8.572 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 6.435 18.543 -8.428 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 5.238 19.060 -9.197 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -0.930 13.021 -9.089 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -0.016 13.100 -8.816 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -0.923 12.334 -9.756 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -1.411 16.495 -2.207 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -1.745 15.614 -2.035 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -1.189 16.840 -1.343 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 3.215 15.298 3.147 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 2.790 16.107 2.864 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 4.120 15.383 2.845 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 0.617 18.554 3.194 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -0.103 18.994 2.743 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 0.251 18.303 4.043 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 3.084 18.154 2.224 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 2.219 18.226 2.628 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 3.029 18.701 1.440 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 2.173 15.887 -1.240 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 1.954 14.971 -1.071 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 2.997 16.027 -0.774 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 4.710 16.357 -0.392 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 4.923 15.469 -0.679 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 4.775 16.323 0.563 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -0.717 16.401 -6.724 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -1.402 16.363 -7.392 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -0.714 17.314 -6.436 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 1.101 17.321 -9.699 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 0.833 17.608 -8.826 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 1.872 16.775 -9.547 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 -2.204 3.523 15.931 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 -1.573 3.494 16.651 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 -1.754 3.098 15.201 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -1.931 1.148 21.600 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -2.596 0.902 22.243 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -2.374 1.770 21.023 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -1.521 30.184 -15.632 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -2.022 30.156 -16.447 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -1.515 29.278 -15.322 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 1.307 29.972 -12.351 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 2.040 30.226 -11.790 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 0.527 30.176 -11.836 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -1.360 27.736 -14.430 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -1.137 27.318 -13.598 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -1.962 27.123 -14.852 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 0.274 22.489 -14.872 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -0.619 22.828 -14.939 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 0.175 21.634 -14.454 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -0.864 36.181 -12.084 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -0.324 35.964 -11.325 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -1.345 35.375 -12.274 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -0.957 29.991 -11.130 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 -0.813 29.089 -11.416 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 -1.730 30.277 -11.618 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 -0.125 27.191 -11.710 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 0.283 26.334 -11.831 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 -0.385 27.206 -10.789 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 4.162 23.555 -13.253 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 4.312 22.826 -13.856 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 4.164 24.332 -13.812 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 2.640 24.753 -11.342 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 1.873 24.221 -11.552 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 3.319 24.443 -11.941 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 0.821 22.674 -11.637 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 1.032 21.967 -12.248 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 0.709 22.236 -10.793 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 5.955 20.358 -10.604 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 5.824 19.882 -11.425 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 5.356 21.102 -10.660 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -1.733 23.697 -12.471 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -0.814 23.575 -12.235 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -2.183 22.947 -12.082 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 0.261 33.179 -11.968 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -0.560 33.354 -12.428 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 0.009 33.106 -11.047 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 0.503 20.025 -12.764 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 0.137 19.260 -12.321 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 1.416 20.054 -12.477 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 2.476 19.376 -11.228 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 3.375 19.102 -11.413 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 2.090 18.633 -10.764 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 6.946 30.355 0.358 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 7.250 29.669 -0.236 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 7.668 30.473 0.976 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 3.242 22.850 -2.042 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 3.285 23.710 -2.460 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 2.784 22.298 -2.675 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 5.018 26.797 -2.064 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 5.634 26.271 -1.555 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 4.432 26.157 -2.468 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 2.052 21.768 2.032 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 1.833 22.298 1.266 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 1.384 21.995 2.680 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 4.621 29.444 2.320 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 3.881 30.042 2.423 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 5.335 29.998 2.004 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 1.646 23.660 -0.015 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 2.259 24.293 0.358 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 2.158 23.188 -0.672 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 -0.850 31.079 -6.111 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 -1.122 31.308 -7.000 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 -0.805 31.917 -5.651 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 6.078 19.074 -0.515 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 5.961 18.125 -0.569 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 5.223 19.406 -0.242 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 3.396 28.751 -3.180 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 3.066 28.381 -3.999 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 3.984 28.081 -2.834 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 4.763 32.179 -0.499 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 4.668 31.601 -1.256 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 5.492 31.808 -0.003 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 3.763 27.520 0.453 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 4.328 27.641 -0.310 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 4.082 28.157 1.092 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 4.643 31.919 5.170 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 4.331 32.701 5.626 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 3.993 31.766 4.484 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 2.882 33.991 5.934 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 2.890 33.855 4.986 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 1.966 33.873 6.186 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 2.386 27.821 -5.591 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 2.094 28.589 -6.082 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 1.712 27.161 -5.754 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 3.347 19.977 0.263 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 2.486 19.890 -0.145 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 3.325 20.833 0.690 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 7.672 22.192 -9.078 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 7.418 22.211 -8.155 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 7.415 21.320 -9.379 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 3.438 24.943 1.358 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 2.796 24.902 2.067 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 3.475 25.869 1.120 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 3.435 25.164 -3.730 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 2.542 24.823 -3.789 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 3.886 24.787 -4.486 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 1.188 25.263 3.225 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 1.150 25.663 4.093 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 0.697 24.446 3.315 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 4.554 22.637 -9.977 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 4.123 22.192 -9.247 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 3.836 23.009 -10.489 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 6.017 22.591 -2.644 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 5.106 22.648 -2.355 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 6.522 22.531 -1.833 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 4.498 24.220 -6.161 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 5.430 24.349 -5.983 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 4.283 24.890 -6.810 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 3.172 25.415 -8.594 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 2.630 25.035 -9.285 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 4.006 25.609 -9.023 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 5.657 27.253 6.639 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 5.361 27.087 5.744 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 6.588 27.033 6.629 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 4.007 32.793 -3.484 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 4.534 33.566 -3.685 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 3.127 33.018 -3.786 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 -0.238 27.655 -8.897 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 0.378 28.282 -8.518 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 -1.100 27.971 -8.626 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 5.434 30.456 -3.908 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 5.193 31.381 -3.866 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 4.694 29.997 -3.512 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 5.949 34.605 2.407 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 6.312 35.460 2.174 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 6.481 34.313 3.148 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 4.118 35.478 -4.363 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 3.168 35.583 -4.311 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 4.469 36.298 -4.018 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 0.274 22.489 3.984 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 -0.619 22.828 3.917 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 0.175 21.634 4.402 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 1.177 29.568 -7.405 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 0.491 29.920 -6.838 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 1.700 30.331 -7.651 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 6.993 23.610 -5.194 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 7.805 24.114 -5.148 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 6.748 23.465 -4.280 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 7.877 20.691 -4.256 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 7.530 21.309 -3.611 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 8.535 21.192 -4.737 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 0.109 24.846 -9.392 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 0.064 25.785 -9.213 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 -0.779 24.610 -9.662 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -0.153 33.568 -4.558 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -0.985 34.041 -4.531 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 0.393 34.078 -5.157 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 3.733 35.100 8.392 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 4.501 34.641 8.733 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 3.712 34.874 7.462 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 5.698 29.961 7.159 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 5.370 30.232 6.301 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 5.850 29.020 7.071 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 3.822 26.200 4.520 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 3.204 26.875 4.801 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 4.166 26.521 3.687 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 4.162 23.555 5.603 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 4.312 22.826 5.000 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 4.164 24.332 5.044 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 4.574 21.925 3.095 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 5.110 22.376 2.443 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 3.722 21.817 2.673 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 6.156 27.364 3.335 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 6.907 27.208 2.762 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 5.817 28.216 3.059 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 2.640 24.753 7.514 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 1.873 24.221 7.304 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 3.319 24.443 6.915 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 0.821 22.674 7.219 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 1.032 21.967 6.608 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 0.709 22.236 8.063 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 -0.930 31.877 -9.089 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 -0.016 31.956 -8.816 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 -0.923 31.190 -9.756 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 3.215 34.154 3.147 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 2.790 34.963 2.864 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 4.120 34.239 2.845 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 7.795 36.898 1.400 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 7.338 37.427 0.746 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 7.958 37.501 2.125 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 4.710 35.213 -0.392 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 4.923 34.325 -0.679 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 4.775 35.179 0.563 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 5.125 19.438 -3.612 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 5.999 19.826 -3.642 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 4.989 19.223 -2.689 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 -0.717 35.257 -6.724 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 -1.402 35.219 -7.392 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 -0.714 36.170 -6.436 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 6.269 21.518 -6.722 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 6.447 20.872 -6.039 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 6.215 22.352 -6.255 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 0.503 20.025 6.092 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 0.137 19.260 6.535 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 1.416 20.054 6.379 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 2.476 19.376 7.628 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 3.375 19.102 7.443 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 2.090 18.633 8.092 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 1.101 36.177 -9.699 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 0.833 36.464 -8.826 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 1.872 35.631 -9.547 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 -1.541 25.647 14.329 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 -1.989 26.493 14.311 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 -2.102 25.067 13.814 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 -0.850 31.079 12.745 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 -1.122 31.308 11.856 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 -0.805 31.917 13.205 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 4.554 22.637 8.879 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 4.123 22.192 9.609 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 3.836 23.009 8.367 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 -0.929 23.125 11.355 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 -0.455 23.716 10.770 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 -1.647 23.656 11.702 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 3.172 25.415 10.262 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 2.630 25.035 9.571 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 4.006 25.609 9.833 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 -0.238 27.655 9.959 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 0.378 28.282 10.338 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 -1.100 27.971 10.230 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 5.787 32.745 8.485 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 6.026 31.997 7.937 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 5.518 32.357 9.317 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 4.724 32.315 10.941 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 4.871 31.795 11.731 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 4.721 33.222 11.247 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 1.177 29.568 11.451 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 0.491 29.920 12.018 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 1.700 30.331 11.205 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 1.793 32.182 10.348 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 2.385 32.881 10.624 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 2.252 31.749 9.629 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 0.109 24.846 9.464 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 0.064 25.785 9.643 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 -0.779 24.610 9.194 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 3.384 30.335 8.714 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 3.448 29.541 9.245 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 4.037 30.216 8.025 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 4.533 28.307 11.020 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 4.074 27.823 11.706 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 4.788 27.639 10.384 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 -1.895 21.266 13.256 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 -2.820 21.475 13.126 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 -1.441 21.750 12.566 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 -0.618 19.309 11.234 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 -0.179 19.920 10.643 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 -1.252 19.847 11.708 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 -0.717 35.257 12.132 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 -1.402 35.219 11.464 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 -0.714 36.170 12.420 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 1.243 21.225 9.677 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 1.734 20.595 9.149 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 1.866 21.521 10.340 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 1.101 36.177 9.157 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 0.833 36.464 10.030 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 1.872 35.631 9.309 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 0.925 46.393 1.545 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 0.967 45.767 2.269 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 1.628 47.016 1.727 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 -0.831 46.665 -2.401 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 -0.617 45.895 -1.874 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 -0.093 46.754 -3.004 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 3.242 41.706 -2.042 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 3.285 42.566 -2.460 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 2.784 41.154 -2.675 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 -0.138 44.103 -1.280 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 0.516 43.553 -0.848 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 -0.114 43.829 -2.196 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 1.646 42.516 -0.015 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 2.259 43.149 0.358 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 2.158 42.044 -0.672 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 -0.850 49.935 -6.111 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 -1.122 50.164 -7.000 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 -0.805 50.773 -5.651 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 6.078 37.930 -0.515 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 5.961 36.981 -0.569 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 5.223 38.262 -0.242 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 2.386 46.677 -5.591 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 2.094 47.445 -6.082 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 1.712 46.017 -5.754 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 -1.521 49.040 3.224 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 -2.022 49.012 2.409 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 -1.515 48.134 3.534 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 8.010 38.555 3.637 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 8.430 38.140 4.390 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 7.077 38.377 3.754 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 3.438 43.799 1.358 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 2.796 43.758 2.067 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 3.475 44.725 1.120 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 3.435 44.020 -3.730 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 2.542 43.679 -3.789 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 3.886 43.643 -4.486 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 1.188 44.119 3.225 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 1.150 44.519 4.093 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 0.697 43.302 3.315 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 -0.929 41.981 -7.501 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 -0.455 42.572 -8.086 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 -1.647 42.512 -7.154 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 6.017 41.447 -2.644 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 5.106 41.504 -2.355 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 6.522 41.387 -1.833 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 0.845 43.076 -3.817 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 -0.044 43.176 -4.157 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 1.141 42.234 -4.163 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 2.339 40.371 -4.339 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 2.022 39.469 -4.374 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 3.120 40.373 -4.891 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 5.963 42.623 1.657 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 5.128 43.077 1.767 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 6.487 42.899 2.409 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 1.632 48.131 -0.889 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 2.377 48.129 -1.490 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 1.710 47.307 -0.407 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 -1.360 46.592 4.426 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 -1.137 46.174 5.258 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 -1.962 45.979 4.004 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 -0.238 46.511 -8.897 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 0.378 47.138 -8.518 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 -1.100 46.827 -8.626 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 1.177 48.424 -7.405 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 0.491 48.776 -6.838 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 1.700 49.187 -7.651 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 3.534 40.610 -7.568 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 3.451 41.499 -7.222 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 4.424 40.345 -7.337 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 0.109 43.702 -9.392 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 0.064 44.641 -9.213 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 -0.779 43.466 -9.662 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 -0.125 46.047 7.146 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 0.283 45.190 7.025 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 -0.385 46.062 8.067 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 4.162 42.411 5.603 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 4.312 41.682 5.000 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 4.164 43.188 5.044 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 4.574 40.781 3.095 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 5.110 41.232 2.443 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 3.722 40.673 2.673 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1493 2.640 43.609 7.514 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1493 1.873 43.077 7.304 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1493 3.319 43.299 6.915 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1494 5.380 38.237 3.527 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1494 5.282 39.184 3.421 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1494 4.637 37.865 3.051 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1495 0.821 41.530 7.219 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1495 1.032 40.823 6.608 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1495 0.709 41.092 8.063 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1496 5.602 37.531 6.198 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1496 6.314 36.891 6.184 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1496 5.501 37.798 5.284 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1497 -1.331 47.282 0.244 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1497 -1.147 47.200 -0.691 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1497 -0.482 47.158 0.668 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1498 8.219 39.733 -1.247 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1498 7.544 39.104 -0.992 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1498 8.783 39.249 -1.850 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1499 -0.618 38.165 -7.622 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1499 -0.179 38.776 -8.213 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1499 -1.252 38.703 -7.148 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1500 5.125 38.294 -3.612 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1500 5.999 38.682 -3.642 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1500 4.989 38.079 -2.689 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1501 1.243 40.081 -9.179 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1501 1.734 39.451 -9.707 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1501 1.866 40.377 -8.516 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1502 2.476 38.232 7.628 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1502 3.375 37.958 7.443 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1502 2.090 37.489 8.092 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1503 -0.929 41.981 11.355 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1503 -0.455 42.572 10.770 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1503 -1.647 42.512 11.702 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1504 0.109 43.702 9.464 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1504 0.064 44.641 9.643 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1504 -0.779 43.466 9.194 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1505 -1.895 40.122 13.256 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1505 -2.820 40.331 13.126 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1505 -1.441 40.606 12.566 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1506 -0.618 38.165 11.234 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1506 -0.179 38.776 10.643 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1506 -1.252 38.703 11.708 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1507 1.243 40.081 9.677 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1507 1.734 39.451 9.149 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1507 1.866 40.377 10.340 0.00 0.00 WAT1 END