REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/refinedPDB_w/res" 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-2009 12:08:59 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -4.789 -10.858 -10.775 1.00 13.54 ATOM 2 CB MET 1 -6.908 -10.631 -10.964 1.00 11.33 ATOM 3 HB1 MET 1 -6.780 -9.967 -11.806 1.00 37.92 ATOM 4 HB2 MET 1 -7.016 -10.035 -10.065 1.00 62.45 ATOM 5 CG MET 1 -8.183 -11.430 -11.182 1.00 3.31 ATOM 6 HG1 MET 1 -8.250 -12.205 -10.431 1.00 37.92 ATOM 7 HG2 MET 1 -8.141 -11.889 -12.158 1.00 61.12 ATOM 8 SD MET 1 -9.668 -10.413 -11.071 1.00 5.21 ATOM 9 CE MET 1 -9.984 -10.085 -12.803 1.00 45.22 ATOM 10 HE1 MET 1 -10.867 -9.470 -12.898 1.00 51.32 ATOM 11 HE2 MET 1 -10.138 -11.018 -13.324 1.00 14.14 ATOM 12 HE3 MET 1 -9.138 -9.569 -13.232 1.00 41.44 ATOM 13 C MET 1 -5.732 -12.338 -9.564 1.00 60.41 ATOM 14 O MET 1 -5.785 -13.566 -9.621 1.00 31.22 ATOM 15 N MET 1 -5.508 -12.351 -12.011 1.00 44.43 ATOM 16 HT1 MET 1 -4.596 -12.853 -11.972 1.00 37.92 ATOM 17 HT2 MET 1 -5.526 -11.778 -12.882 1.00 37.92 ATOM 18 HT3 MET 1 -6.270 -13.061 -12.063 1.00 37.92 ATOM 19 CA MET 1 -5.656 -11.500 -10.836 1.00 44.11 ATOM 20 N GLY 2 -5.737 -11.666 -8.417 1.00 24.53 ATOM 21 HN GLY 2 -5.700 -10.681 -8.425 1.00 37.92 ATOM 22 CA GLY 2 -5.806 -12.367 -7.147 1.00 51.54 ATOM 23 HA1 GLY 2 -5.558 -13.414 -7.277 1.00 37.92 ATOM 24 HA2 GLY 2 -6.815 -12.298 -6.771 1.00 74.11 ATOM 25 C GLY 2 -4.866 -11.783 -6.111 1.00 54.22 ATOM 26 O GLY 2 -5.179 -11.763 -4.920 1.00 62.01 ATOM 27 N HIS 3 -3.711 -11.307 -6.564 1.00 25.22 ATOM 28 HN HIS 3 -3.495 -11.356 -7.521 1.00 37.92 ATOM 29 CA HIS 3 -2.721 -10.721 -5.667 1.00 31.05 ATOM 30 HA HIS 3 -1.826 -10.527 -6.242 1.00 24.41 ATOM 31 CB HIS 3 -3.245 -9.409 -5.082 1.00 53.14 ATOM 32 HB1 HIS 3 -2.673 -9.143 -4.202 1.00 37.92 ATOM 33 HB2 HIS 3 -4.279 -9.516 -4.802 1.00 51.03 ATOM 34 CG HIS 3 -3.150 -8.252 -6.028 1.00 50.34 ATOM 35 ND1 HIS 3 -2.404 -7.123 -5.764 1.00 10.43 ATOM 36 HD1 HIS 3 -1.874 -6.963 -4.955 1.00 40.43 ATOM 37 CD2 HIS 3 -3.711 -8.054 -7.244 1.00 41.33 ATOM 38 HD2 HIS 3 -4.362 -8.739 -7.769 1.00 14.03 ATOM 39 CE1 HIS 3 -2.512 -6.279 -6.775 1.00 24.41 ATOM 40 HE1 HIS 3 -2.037 -5.312 -6.844 1.00 64.41 ATOM 41 NE2 HIS 3 -3.299 -6.821 -7.687 1.00 2.21 ATOM 42 HE2 HIS 3 -3.620 -6.370 -8.496 1.00 37.92 ATOM 43 C HIS 3 -2.369 -11.688 -4.540 1.00 64.13 ATOM 44 O HIS 3 -2.018 -11.270 -3.436 1.00 72.22 ATOM 45 N HIS 4 -2.465 -12.983 -4.827 1.00 5.34 ATOM 46 HN HIS 4 -2.693 -13.277 -5.736 1.00 37.92 ATOM 47 CA HIS 4 -2.156 -14.009 -3.838 1.00 21.35 ATOM 48 HA HIS 4 -2.025 -13.538 -2.867 1.00 73.05 ATOM 49 CB HIS 4 -3.302 -15.017 -3.742 1.00 51.43 ATOM 50 HB1 HIS 4 -2.929 -15.961 -3.361 1.00 37.92 ATOM 51 HB2 HIS 4 -3.720 -15.180 -4.726 1.00 32.10 ATOM 52 CG HIS 4 -4.410 -14.579 -2.834 1.00 22.40 ATOM 53 ND1 HIS 4 -4.282 -14.528 -1.462 1.00 31.00 ATOM 54 HD1 HIS 4 -3.479 -14.765 -0.952 1.00 2.13 ATOM 55 CD2 HIS 4 -5.670 -14.170 -3.109 1.00 35.14 ATOM 56 HD2 HIS 4 -6.116 -14.085 -4.090 1.00 25.22 ATOM 57 CE1 HIS 4 -5.417 -14.108 -0.932 1.00 2.22 ATOM 58 HE1 HIS 4 -5.609 -13.970 0.122 1.00 61.44 ATOM 59 NE2 HIS 4 -6.276 -13.883 -1.910 1.00 24.12 ATOM 60 HE2 HIS 4 -7.159 -13.472 -1.803 1.00 37.92 ATOM 61 C HIS 4 -0.858 -14.730 -4.189 1.00 43.32 ATOM 62 O HIS 4 -0.530 -14.903 -5.364 1.00 34.13 ATOM 63 N HIS 5 -0.121 -15.147 -3.164 1.00 54.30 ATOM 64 HN HIS 5 -0.436 -14.977 -2.244 1.00 37.92 ATOM 65 CA HIS 5 1.141 -15.848 -3.365 1.00 65.21 ATOM 66 HA HIS 5 1.809 -15.171 -3.886 1.00 22.32 ATOM 67 CB HIS 5 1.766 -16.215 -2.018 1.00 53.43 ATOM 68 HB1 HIS 5 1.180 -16.991 -1.544 1.00 37.92 ATOM 69 HB2 HIS 5 1.768 -15.340 -1.384 1.00 30.33 ATOM 70 CG HIS 5 3.179 -16.700 -2.125 1.00 54.22 ATOM 71 ND1 HIS 5 3.751 -17.557 -1.209 1.00 44.13 ATOM 72 HD1 HIS 5 3.309 -17.927 -0.416 1.00 5.33 ATOM 73 CD2 HIS 5 4.135 -16.445 -3.049 1.00 12.33 ATOM 74 HD2 HIS 5 4.034 -15.810 -3.918 1.00 40.41 ATOM 75 CE1 HIS 5 4.999 -17.806 -1.564 1.00 23.53 ATOM 76 HE1 HIS 5 5.691 -18.444 -1.034 1.00 45.04 ATOM 77 NE2 HIS 5 5.257 -17.144 -2.677 1.00 53.00 ATOM 78 HE2 HIS 5 6.077 -17.229 -3.207 1.00 37.92 ATOM 79 C HIS 5 0.936 -17.107 -4.203 1.00 45.53 ATOM 80 O HIS 5 0.215 -18.021 -3.803 1.00 0.20 ATOM 81 N HIS 6 1.575 -17.146 -5.369 1.00 31.25 ATOM 82 HN HIS 6 2.152 -16.392 -5.636 1.00 37.92 ATOM 83 CA HIS 6 1.462 -18.293 -6.263 1.00 43.53 ATOM 84 HA HIS 6 0.572 -18.858 -5.999 1.00 13.21 ATOM 85 CB HIS 6 1.336 -17.824 -7.713 1.00 70.03 ATOM 86 HB1 HIS 6 1.779 -18.558 -8.378 1.00 37.92 ATOM 87 HB2 HIS 6 1.859 -16.886 -7.834 1.00 24.50 ATOM 88 CG HIS 6 -0.080 -17.614 -8.154 1.00 11.45 ATOM 89 ND1 HIS 6 -0.959 -16.784 -7.490 1.00 32.11 ATOM 90 HD1 HIS 6 -0.757 -16.262 -6.686 1.00 45.14 ATOM 91 CD2 HIS 6 -0.768 -18.129 -9.199 1.00 30.30 ATOM 92 HD2 HIS 6 -0.388 -18.822 -9.937 1.00 55.31 ATOM 93 CE1 HIS 6 -2.127 -16.800 -8.107 1.00 32.10 ATOM 94 HE1 HIS 6 -3.005 -16.245 -7.811 1.00 22.41 ATOM 95 NE2 HIS 6 -2.038 -17.608 -9.148 1.00 25.43 ATOM 96 HE2 HIS 6 -2.787 -17.878 -9.719 1.00 37.92 ATOM 97 C HIS 6 2.668 -19.216 -6.118 1.00 1.11 ATOM 98 O HIS 6 3.762 -18.775 -5.763 1.00 53.52 ATOM 99 N HIS 7 2.461 -20.500 -6.393 1.00 41.33 ATOM 100 HN HIS 7 1.560 -20.800 -6.654 1.00 37.92 ATOM 101 CA HIS 7 3.531 -21.485 -6.293 1.00 24.52 ATOM 102 HA HIS 7 4.402 -21.014 -5.850 1.00 15.24 ATOM 103 CB HIS 7 3.096 -22.654 -5.408 1.00 2.44 ATOM 104 HB1 HIS 7 2.654 -23.438 -6.011 1.00 37.92 ATOM 105 HB2 HIS 7 2.357 -22.306 -4.698 1.00 13.34 ATOM 106 CG HIS 7 4.217 -23.256 -4.617 1.00 15.44 ATOM 107 ND1 HIS 7 4.724 -24.513 -4.867 1.00 33.21 ATOM 108 HD1 HIS 7 4.414 -25.127 -5.566 1.00 12.40 ATOM 109 CD2 HIS 7 4.929 -22.764 -3.576 1.00 64.31 ATOM 110 HD2 HIS 7 4.801 -21.796 -3.112 1.00 53.53 ATOM 111 CE1 HIS 7 5.699 -24.770 -4.014 1.00 32.15 ATOM 112 HE1 HIS 7 6.280 -25.680 -3.974 1.00 3.52 ATOM 113 NE2 HIS 7 5.844 -23.725 -3.220 1.00 10.44 ATOM 114 HE2 HIS 7 6.435 -23.687 -2.439 1.00 37.92 ATOM 115 C HIS 7 3.929 -21.999 -7.674 1.00 12.34 ATOM 116 O HIS 7 5.098 -22.294 -7.925 1.00 34.33 ATOM 117 N HIS 8 2.949 -22.103 -8.566 1.00 13.24 ATOM 118 HN HIS 8 2.027 -21.884 -8.309 1.00 37.92 ATOM 119 CA HIS 8 3.196 -22.581 -9.921 1.00 44.33 ATOM 120 HA HIS 8 3.519 -23.614 -9.850 1.00 1.33 ATOM 121 CB HIS 8 1.914 -22.513 -10.751 1.00 32.02 ATOM 122 HB1 HIS 8 2.156 -22.599 -11.804 1.00 37.92 ATOM 123 HB2 HIS 8 1.428 -21.564 -10.579 1.00 33.22 ATOM 124 CG HIS 8 0.933 -23.597 -10.427 1.00 32.45 ATOM 125 ND1 HIS 8 0.940 -24.829 -11.047 1.00 12.20 ATOM 126 HD1 HIS 8 1.567 -25.116 -11.744 1.00 52.31 ATOM 127 CD2 HIS 8 -0.089 -23.631 -9.539 1.00 41.43 ATOM 128 HD2 HIS 8 -0.387 -22.832 -8.874 1.00 55.22 ATOM 129 CE1 HIS 8 -0.036 -25.572 -10.557 1.00 12.12 ATOM 130 HE1 HIS 8 -0.271 -26.583 -10.854 1.00 42.31 ATOM 131 NE2 HIS 8 -0.675 -24.868 -9.640 1.00 33.22 ATOM 132 HE2 HIS 8 -1.384 -25.211 -9.057 1.00 37.92 ATOM 133 C HIS 8 4.295 -21.763 -10.594 1.00 12.55 ATOM 134 O HIS 8 4.319 -20.536 -10.492 1.00 20.01 ATOM 135 N SER 9 5.202 -22.450 -11.279 1.00 43.15 ATOM 136 HN SER 9 5.139 -23.434 -11.317 1.00 37.92 ATOM 137 CA SER 9 6.306 -21.787 -11.965 1.00 30.35 ATOM 138 HA SER 9 5.969 -20.818 -12.314 1.00 0.32 ATOM 139 CB SER 9 7.481 -21.584 -11.006 1.00 32.32 ATOM 140 HB1 SER 9 7.115 -21.194 -10.067 1.00 37.92 ATOM 141 HB2 SER 9 8.180 -20.883 -11.436 1.00 51.22 ATOM 142 OG SER 9 8.155 -22.806 -10.760 1.00 45.01 ATOM 143 HG SER 9 8.894 -22.651 -10.167 1.00 34.34 ATOM 144 C SER 9 6.758 -22.597 -13.176 1.00 53.23 ATOM 145 O SER 9 6.193 -23.648 -13.481 1.00 12.21 ATOM 146 N HIS 10 7.780 -22.099 -13.865 1.00 24.45 ATOM 147 HN HIS 10 8.194 -21.250 -13.588 1.00 37.92 ATOM 148 CA HIS 10 8.310 -22.776 -15.043 1.00 53.14 ATOM 149 HA HIS 10 7.664 -23.613 -15.292 1.00 1.10 ATOM 150 CB HIS 10 8.340 -21.819 -16.236 1.00 34.41 ATOM 151 HB1 HIS 10 9.114 -21.076 -16.092 1.00 37.92 ATOM 152 HB2 HIS 10 7.384 -21.319 -16.305 1.00 54.15 ATOM 153 CG HIS 10 8.586 -22.503 -17.546 1.00 10.43 ATOM 154 ND1 HIS 10 9.708 -22.274 -18.314 1.00 71.42 ATOM 155 HD1 HIS 10 10.438 -21.659 -18.092 1.00 10.03 ATOM 156 CD2 HIS 10 7.848 -23.414 -18.221 1.00 70.24 ATOM 157 HD2 HIS 10 6.899 -23.827 -17.910 1.00 3.31 ATOM 158 CE1 HIS 10 9.649 -23.015 -19.407 1.00 15.32 ATOM 159 HE1 HIS 10 10.390 -23.044 -20.192 1.00 4.34 ATOM 160 NE2 HIS 10 8.530 -23.716 -19.374 1.00 72.15 ATOM 161 HE2 HIS 10 8.195 -24.280 -20.102 1.00 37.92 ATOM 162 C HIS 10 9.710 -23.318 -14.776 1.00 5.13 ATOM 163 O HIS 10 10.708 -22.680 -15.111 1.00 53.25 ATOM 164 N MET 11 9.777 -24.498 -14.168 1.00 70.25 ATOM 165 HN MET 11 8.942 -24.957 -13.908 1.00 37.92 ATOM 166 CA MET 11 11.056 -25.126 -13.856 1.00 51.53 ATOM 167 HA MET 11 11.755 -24.852 -14.636 1.00 25.32 ATOM 168 CB MET 11 11.586 -24.613 -12.516 1.00 33.45 ATOM 169 HB1 MET 11 11.604 -23.533 -12.542 1.00 37.92 ATOM 170 HB2 MET 11 12.591 -24.974 -12.374 1.00 51.03 ATOM 171 CG MET 11 10.743 -25.043 -11.325 1.00 43.43 ATOM 172 HG1 MET 11 10.622 -26.115 -11.333 1.00 37.92 ATOM 173 HG2 MET 11 9.775 -24.575 -11.399 1.00 23.30 ATOM 174 SD MET 11 11.483 -24.580 -9.748 1.00 5.04 ATOM 175 CE MET 11 12.841 -25.745 -9.656 1.00 32.02 ATOM 176 HE1 MET 11 12.458 -26.751 -9.741 1.00 65.42 ATOM 177 HE2 MET 11 13.348 -25.632 -8.709 1.00 33.25 ATOM 178 HE3 MET 11 13.535 -25.554 -10.461 1.00 63.52 ATOM 179 C MET 11 10.921 -26.644 -13.816 1.00 70.42 ATOM 180 O MET 11 9.850 -27.190 -13.550 1.00 13.41 ATOM 181 N PRO 12 12.032 -27.346 -14.087 1.00 11.40 ATOM 182 CA PRO 12 12.062 -28.811 -14.088 1.00 25.23 ATOM 183 HA PRO 12 11.296 -29.223 -14.730 1.00 2.41 ATOM 184 CB PRO 12 13.443 -29.137 -14.663 1.00 2.23 ATOM 185 HB1 PRO 12 13.357 -29.276 -15.730 1.00 37.92 ATOM 186 HB2 PRO 12 13.852 -30.036 -14.219 1.00 33.43 ATOM 187 CG PRO 12 14.275 -27.941 -14.351 1.00 50.34 ATOM 188 HG1 PRO 12 15.060 -27.838 -15.086 1.00 37.92 ATOM 189 HG2 PRO 12 14.696 -28.035 -13.361 1.00 61.25 ATOM 190 CD PRO 12 13.344 -26.762 -14.413 1.00 11.43 ATOM 191 HD1 PRO 12 13.341 -26.337 -15.406 1.00 37.92 ATOM 192 HD2 PRO 12 13.640 -26.025 -13.690 1.00 43.51 ATOM 193 C PRO 12 11.918 -29.395 -12.686 1.00 51.34 ATOM 194 O PRO 12 12.909 -29.733 -12.039 1.00 61.23 ATOM 195 N ASP 13 10.678 -29.510 -12.224 1.00 20.03 ATOM 196 HN ASP 13 9.923 -29.216 -12.789 1.00 37.92 ATOM 197 CA ASP 13 10.404 -30.055 -10.899 1.00 12.51 ATOM 198 HA ASP 13 10.793 -29.354 -10.172 1.00 1.24 ATOM 199 CB ASP 13 8.896 -30.196 -10.684 1.00 41.52 ATOM 200 HB1 ASP 13 8.463 -30.702 -11.535 1.00 37.92 ATOM 201 HB2 ASP 13 8.459 -29.213 -10.596 1.00 53.11 ATOM 202 CG ASP 13 8.561 -30.982 -9.432 1.00 54.31 ATOM 203 OD1 ASP 13 8.846 -30.482 -8.324 1.00 64.20 ATOM 204 OD2 ASP 13 8.013 -32.097 -9.560 1.00 61.12 ATOM 205 C ASP 13 11.085 -31.407 -10.716 1.00 31.23 ATOM 206 O ASP 13 10.905 -32.319 -11.523 1.00 75.31 ATOM 207 N HIS 14 11.869 -31.530 -9.649 1.00 43.55 ATOM 208 HN HIS 14 11.964 -30.770 -9.027 1.00 37.92 ATOM 209 CA HIS 14 12.578 -32.771 -9.360 1.00 63.04 ATOM 210 HA HIS 14 12.885 -33.212 -10.304 1.00 71.22 ATOM 211 CB HIS 14 13.818 -32.489 -8.512 1.00 23.15 ATOM 212 HB1 HIS 14 13.585 -32.533 -7.458 1.00 37.92 ATOM 213 HB2 HIS 14 14.178 -31.495 -8.740 1.00 54.30 ATOM 214 CG HIS 14 14.950 -33.435 -8.772 1.00 30.14 ATOM 215 ND1 HIS 14 16.087 -33.076 -9.464 1.00 71.13 ATOM 216 HD1 HIS 14 16.269 -32.193 -9.847 1.00 20.45 ATOM 217 CD2 HIS 14 15.116 -34.733 -8.426 1.00 20.13 ATOM 218 HD2 HIS 14 14.417 -35.343 -7.870 1.00 13.25 ATOM 219 CE1 HIS 14 16.903 -34.113 -9.535 1.00 14.12 ATOM 220 HE1 HIS 14 17.869 -34.126 -10.019 1.00 33.43 ATOM 221 NE2 HIS 14 16.337 -35.131 -8.912 1.00 21.02 ATOM 222 HE2 HIS 14 16.686 -36.047 -8.894 1.00 37.92 ATOM 223 C HIS 14 11.668 -33.761 -8.640 1.00 23.22 ATOM 224 O HIS 14 11.983 -34.226 -7.545 1.00 44.12 ATOM 225 N GLY 15 10.537 -34.079 -9.262 1.00 60.21 ATOM 226 HN GLY 15 10.339 -33.721 -10.149 1.00 37.92 ATOM 227 CA GLY 15 9.599 -35.011 -8.665 1.00 33.32 ATOM 228 HA1 GLY 15 8.598 -34.658 -8.867 1.00 37.92 ATOM 229 HA2 GLY 15 9.734 -35.043 -7.589 1.00 2.34 ATOM 230 C GLY 15 9.747 -36.416 -9.215 1.00 41.10 ATOM 231 O GLY 15 10.713 -37.113 -8.904 1.00 31.03 ATOM 232 N ASP 16 8.788 -36.833 -10.034 1.00 32.23 ATOM 233 HN ASP 16 8.051 -36.221 -10.260 1.00 37.92 ATOM 234 CA ASP 16 8.815 -38.165 -10.628 1.00 44.42 ATOM 235 HA ASP 16 9.642 -38.719 -10.218 1.00 54.33 ATOM 236 CB ASP 16 7.526 -38.919 -10.302 1.00 34.02 ATOM 237 HB1 ASP 16 7.634 -39.384 -9.333 1.00 37.92 ATOM 238 HB2 ASP 16 7.344 -39.690 -11.040 1.00 14.35 ATOM 239 CG ASP 16 6.317 -38.005 -10.250 1.00 43.15 ATOM 240 OD1 ASP 16 5.552 -37.978 -11.237 1.00 3.52 ATOM 241 OD2 ASP 16 6.137 -37.316 -9.224 1.00 62.02 ATOM 242 C ASP 16 9.002 -38.081 -12.140 1.00 13.10 ATOM 243 O ASP 16 9.200 -39.096 -12.808 1.00 4.24 ATOM 244 N TRP 17 8.935 -36.866 -12.672 1.00 62.14 ATOM 245 HN TRP 17 8.779 -36.080 -12.116 1.00 37.92 ATOM 246 CA TRP 17 9.095 -36.650 -14.106 1.00 64.40 ATOM 247 HA TRP 17 8.836 -35.621 -14.316 1.00 13.12 ATOM 248 CB TRP 17 10.544 -36.909 -14.523 1.00 3.24 ATOM 249 HB1 TRP 17 10.591 -37.139 -15.581 1.00 37.92 ATOM 250 HB2 TRP 17 10.940 -37.746 -13.970 1.00 52.34 ATOM 251 CG TRP 17 11.449 -35.737 -14.285 1.00 34.40 ATOM 252 CD1 TRP 17 11.525 -34.978 -13.153 1.00 1.52 ATOM 253 HD1 TRP 17 10.924 -35.139 -12.271 1.00 54.12 ATOM 254 CD2 TRP 17 12.403 -35.192 -15.202 1.00 41.20 ATOM 255 NE1 TRP 17 12.470 -33.992 -13.311 1.00 33.21 ATOM 256 HE1 TRP 17 12.709 -33.320 -12.639 1.00 0.41 ATOM 257 CE2 TRP 17 13.023 -34.103 -14.559 1.00 3.31 ATOM 258 CE3 TRP 17 12.796 -35.518 -16.503 1.00 31.43 ATOM 259 HE3 TRP 17 12.346 -36.345 -17.032 1.00 44.30 ATOM 260 CZ2 TRP 17 14.012 -33.340 -15.174 1.00 63.14 ATOM 261 HZ2 TRP 17 14.484 -32.507 -14.675 1.00 33.55 ATOM 262 CZ3 TRP 17 13.777 -34.760 -17.112 1.00 64.33 ATOM 263 HZ3 TRP 17 14.092 -34.998 -18.117 1.00 25.54 ATOM 264 CH2 TRP 17 14.377 -33.682 -16.448 1.00 62.11 ATOM 265 HH2 TRP 17 15.139 -33.117 -16.963 1.00 3.32 ATOM 266 C TRP 17 8.157 -37.552 -14.900 1.00 54.34 ATOM 267 O TRP 17 8.464 -37.948 -16.025 1.00 55.14 ATOM 268 N THR 18 7.010 -37.873 -14.309 1.00 41.10 ATOM 269 HN THR 18 6.783 -37.502 -13.427 1.00 37.92 ATOM 270 CA THR 18 6.027 -38.728 -14.962 1.00 30.35 ATOM 271 HA THR 18 6.285 -38.833 -16.012 1.00 3.03 ATOM 272 CB THR 18 6.002 -40.135 -14.335 1.00 21.14 ATOM 273 HB THR 18 5.212 -40.707 -14.795 1.00 74.21 ATOM 274 OG1 THR 18 5.748 -40.040 -12.928 1.00 64.45 ATOM 275 HG1 THR 18 5.360 -40.861 -12.613 1.00 73.31 ATOM 276 CG2 THR 18 7.321 -40.856 -14.570 1.00 10.33 ATOM 277 HG21 THR 18 7.860 -40.941 -13.639 1.00 34.14 ATOM 278 HG22 THR 18 7.931 -40.321 -15.288 1.00 33.04 ATOM 279 HG23 THR 18 7.118 -41.846 -14.950 1.00 44.54 ATOM 280 C THR 18 4.630 -38.123 -14.879 1.00 44.11 ATOM 281 O THR 18 4.305 -37.417 -13.925 1.00 12.54 ATOM 282 N TYR 19 3.809 -38.404 -15.884 1.00 74.11 ATOM 283 HN TYR 19 4.121 -38.975 -16.623 1.00 37.92 ATOM 284 CA TYR 19 2.447 -37.885 -15.926 1.00 34.33 ATOM 285 HA TYR 19 2.302 -37.213 -15.089 1.00 50.43 ATOM 286 CB TYR 19 2.212 -37.114 -17.226 1.00 34.52 ATOM 287 HB1 TYR 19 2.065 -37.811 -18.044 1.00 37.92 ATOM 288 HB2 TYR 19 3.088 -36.513 -17.435 1.00 21.01 ATOM 289 CG TYR 19 1.029 -36.174 -17.167 1.00 3.12 ATOM 290 CD1 TYR 19 0.985 -35.139 -16.241 1.00 50.11 ATOM 291 HD1 TYR 19 1.810 -35.009 -15.554 1.00 15.32 ATOM 292 CD2 TYR 19 -0.043 -36.320 -18.038 1.00 14.10 ATOM 293 HD2 TYR 19 -0.028 -37.119 -18.766 1.00 34.12 ATOM 294 CE1 TYR 19 -0.094 -34.278 -16.183 1.00 43.13 ATOM 295 HE1 TYR 19 -0.109 -33.479 -15.456 1.00 42.40 ATOM 296 CE2 TYR 19 -1.126 -35.463 -17.988 1.00 43.44 ATOM 297 HE2 TYR 19 -1.950 -35.593 -18.674 1.00 34.12 ATOM 298 CZ TYR 19 -1.146 -34.444 -17.059 1.00 53.40 ATOM 299 OH TYR 19 -2.222 -33.587 -17.006 1.00 30.14 ATOM 300 HH TYR 19 -1.975 -32.729 -17.365 1.00 15.05 ATOM 301 C TYR 19 1.429 -39.015 -15.800 1.00 62.33 ATOM 302 O TYR 19 0.499 -38.941 -14.999 1.00 11.55 ATOM 303 N GLU 20 1.615 -40.062 -16.599 1.00 41.52 ATOM 304 HN GLU 20 2.372 -40.066 -17.230 1.00 37.92 ATOM 305 CA GLU 20 0.714 -41.208 -16.578 1.00 54.50 ATOM 306 HA GLU 20 -0.203 -40.931 -16.072 1.00 64.11 ATOM 307 CB GLU 20 0.378 -41.647 -18.005 1.00 13.42 ATOM 308 HB1 GLU 20 -0.108 -42.616 -17.981 1.00 37.92 ATOM 309 HB2 GLU 20 1.296 -41.732 -18.567 1.00 11.11 ATOM 310 CG GLU 20 -0.537 -40.681 -18.739 1.00 43.15 ATOM 311 HG1 GLU 20 -0.663 -41.029 -19.754 1.00 37.92 ATOM 312 HG2 GLU 20 -0.075 -39.704 -18.751 1.00 25.23 ATOM 313 CD GLU 20 -1.904 -40.567 -18.094 1.00 11.51 ATOM 314 OE1 GLU 20 -2.288 -39.442 -17.712 1.00 53.40 ATOM 315 OE2 GLU 20 -2.590 -41.603 -17.971 1.00 21.10 ATOM 316 C GLU 20 1.331 -42.371 -15.808 1.00 62.31 ATOM 317 O GLU 20 0.637 -43.091 -15.091 1.00 25.42 ATOM 318 N GLU 21 2.639 -42.548 -15.964 1.00 25.44 ATOM 319 HN GLU 21 3.143 -41.958 -16.570 1.00 37.92 ATOM 320 CA GLU 21 3.350 -43.625 -15.284 1.00 70.43 ATOM 321 HA GLU 21 2.970 -44.565 -15.666 1.00 41.45 ATOM 322 CB GLU 21 4.852 -43.530 -15.561 1.00 12.41 ATOM 323 HB1 GLU 21 5.408 -43.899 -14.708 1.00 37.92 ATOM 324 HB2 GLU 21 5.119 -42.501 -15.727 1.00 64.15 ATOM 325 CG GLU 21 5.299 -44.324 -16.776 1.00 72.52 ATOM 326 HG1 GLU 21 5.308 -45.374 -16.520 1.00 37.92 ATOM 327 HG2 GLU 21 6.297 -44.012 -17.046 1.00 73.33 ATOM 328 CD GLU 21 4.390 -44.121 -17.973 1.00 44.51 ATOM 329 OE1 GLU 21 3.665 -45.070 -18.337 1.00 45.21 ATOM 330 OE2 GLU 21 4.405 -43.011 -18.546 1.00 14.45 ATOM 331 C GLU 21 3.095 -43.582 -13.780 1.00 51.44 ATOM 332 O GLU 21 2.728 -42.542 -13.233 1.00 61.14 ATOM 333 N GLN 22 3.292 -44.718 -13.119 1.00 55.15 ATOM 334 HN GLN 22 3.597 -45.517 -13.613 1.00 37.92 ATOM 335 CA GLN 22 3.082 -44.810 -11.680 1.00 15.35 ATOM 336 HA GLN 22 2.131 -44.340 -11.453 1.00 0.01 ATOM 337 CB GLN 22 3.037 -46.275 -11.242 1.00 1.34 ATOM 338 HB1 GLN 22 4.039 -46.629 -11.046 1.00 37.92 ATOM 339 HB2 GLN 22 2.627 -46.860 -12.058 1.00 65.34 ATOM 340 CG GLN 22 2.156 -46.520 -10.028 1.00 32.33 ATOM 341 HG1 GLN 22 1.720 -47.504 -10.118 1.00 37.92 ATOM 342 HG2 GLN 22 1.363 -45.784 -9.994 1.00 54.23 ATOM 343 CD GLN 22 2.928 -46.461 -8.724 1.00 53.43 ATOM 344 OE1 GLN 22 2.584 -45.699 -7.820 1.00 52.11 ATOM 345 NE2 GLN 22 3.978 -47.266 -8.621 1.00 22.23 ATOM 346 HE21 GLN 22 4.209 -47.861 -9.368 1.00 72.22 ATOM 347 HE22 GLN 22 4.492 -47.234 -7.787 1.00 13.42 ATOM 348 C GLN 22 4.181 -44.073 -10.921 1.00 73.11 ATOM 349 O GLN 22 5.245 -43.789 -11.471 1.00 23.34 ATOM 350 N PHE 23 3.916 -43.766 -9.656 1.00 13.43 ATOM 351 HN PHE 23 3.030 -43.975 -9.285 1.00 37.92 ATOM 352 CA PHE 23 4.882 -43.060 -8.822 1.00 20.42 ATOM 353 HA PHE 23 5.346 -42.287 -9.427 1.00 25.35 ATOM 354 CB PHE 23 4.179 -42.411 -7.628 1.00 23.12 ATOM 355 HB1 PHE 23 4.177 -43.077 -6.775 1.00 37.92 ATOM 356 HB2 PHE 23 3.148 -42.214 -7.900 1.00 65.11 ATOM 357 CG PHE 23 4.800 -41.111 -7.201 1.00 73.43 ATOM 358 CD1 PHE 23 4.089 -39.926 -7.295 1.00 43.42 ATOM 359 HD1 PHE 23 3.078 -39.938 -7.678 1.00 71.05 ATOM 360 CD2 PHE 23 6.094 -41.076 -6.707 1.00 14.51 ATOM 361 HD2 PHE 23 6.658 -41.980 -6.626 1.00 4.44 ATOM 362 CE1 PHE 23 4.657 -38.728 -6.903 1.00 41.12 ATOM 363 HE1 PHE 23 4.093 -37.811 -6.982 1.00 41.14 ATOM 364 CE2 PHE 23 6.666 -39.881 -6.313 1.00 44.01 ATOM 365 HE2 PHE 23 7.670 -39.868 -5.945 1.00 31.10 ATOM 366 CZ PHE 23 5.948 -38.706 -6.412 1.00 52.45 ATOM 367 HZ PHE 23 6.394 -37.771 -6.106 1.00 60.21 ATOM 368 C PHE 23 5.971 -44.009 -8.331 1.00 24.33 ATOM 369 O PHE 23 6.153 -44.195 -7.127 1.00 44.12 ATOM 370 N LYS 24 6.694 -44.609 -9.271 1.00 54.33 ATOM 371 HN LYS 24 6.544 -44.387 -10.214 1.00 37.92 ATOM 372 CA LYS 24 7.766 -45.538 -8.937 1.00 71.40 ATOM 373 HA LYS 24 7.368 -46.264 -8.241 1.00 3.20 ATOM 374 CB LYS 24 8.261 -46.253 -10.197 1.00 13.42 ATOM 375 HB1 LYS 24 9.031 -45.659 -10.674 1.00 37.92 ATOM 376 HB2 LYS 24 7.435 -46.356 -10.892 1.00 4.31 ATOM 377 CG LYS 24 8.832 -47.634 -9.928 1.00 72.12 ATOM 378 HG1 LYS 24 9.524 -47.574 -9.096 1.00 37.92 ATOM 379 HG2 LYS 24 9.358 -47.969 -10.810 1.00 12.15 ATOM 380 CD LYS 24 7.737 -48.636 -9.603 1.00 21.43 ATOM 381 HD1 LYS 24 7.164 -48.829 -10.498 1.00 37.92 ATOM 382 HD2 LYS 24 7.088 -48.234 -8.839 1.00 52.23 ATOM 383 CE LYS 24 8.316 -49.950 -9.099 1.00 13.20 ATOM 384 HE1 LYS 24 7.505 -50.642 -8.924 1.00 37.92 ATOM 385 HE2 LYS 24 8.839 -49.768 -8.171 1.00 22.23 ATOM 386 NZ LYS 24 9.263 -50.551 -10.079 1.00 15.22 ATOM 387 HZ1 LYS 24 10.127 -49.976 -10.150 1.00 64.22 ATOM 388 HZ2 LYS 24 8.824 -50.617 -11.022 1.00 23.31 ATOM 389 HZ3 LYS 24 9.527 -51.509 -9.771 1.00 41.15 ATOM 390 C LYS 24 8.926 -44.812 -8.263 1.00 54.22 ATOM 391 O LYS 24 9.817 -45.442 -7.695 1.00 45.44 ATOM 392 N GLN 25 8.905 -43.485 -8.329 1.00 51.43 ATOM 393 HN GLN 25 8.217 -43.028 -8.852 1.00 37.92 ATOM 394 CA GLN 25 9.955 -42.674 -7.724 1.00 51.43 ATOM 395 HA GLN 25 10.860 -42.866 -8.276 1.00 25.50 ATOM 396 CB GLN 25 9.590 -41.190 -7.801 1.00 5.02 ATOM 397 HB1 GLN 25 9.079 -40.901 -6.904 1.00 37.92 ATOM 398 HB2 GLN 25 8.934 -41.024 -8.644 1.00 4.44 ATOM 399 CG GLN 25 10.794 -40.276 -7.967 1.00 55.24 ATOM 400 HG1 GLN 25 11.400 -40.335 -7.074 1.00 37.92 ATOM 401 HG2 GLN 25 10.437 -39.270 -8.086 1.00 32.53 ATOM 402 CD GLN 25 11.639 -40.638 -9.172 1.00 65.31 ATOM 403 OE1 GLN 25 11.244 -40.408 -10.315 1.00 75.11 ATOM 404 NE2 GLN 25 12.812 -41.209 -8.922 1.00 43.42 ATOM 405 HE21 GLN 25 13.079 -41.371 -7.989 1.00 54.54 ATOM 406 HE22 GLN 25 13.373 -41.450 -9.689 1.00 11.00 ATOM 407 C GLN 25 10.187 -43.078 -6.272 1.00 73.33 ATOM 408 O GLN 25 11.323 -43.306 -5.854 1.00 33.10 ATOM 409 N LEU 26 9.104 -43.165 -5.508 1.00 30.54 ATOM 410 HN LEU 26 8.225 -42.980 -5.899 1.00 37.92 ATOM 411 CA LEU 26 9.189 -43.543 -4.101 1.00 0.40 ATOM 412 HA LEU 26 9.829 -42.834 -3.614 1.00 21.53 ATOM 413 CB LEU 26 7.801 -43.508 -3.458 1.00 43.05 ATOM 414 HB1 LEU 26 7.769 -44.239 -2.655 1.00 37.92 ATOM 415 HB2 LEU 26 7.076 -43.806 -4.205 1.00 53.15 ATOM 416 CG LEU 26 7.364 -42.163 -2.878 1.00 12.32 ATOM 417 HG LEU 26 7.362 -41.425 -3.665 1.00 64.41 ATOM 418 CD1 LEU 26 5.952 -42.256 -2.319 1.00 63.05 ATOM 419 HD11 LEU 26 5.956 -42.836 -1.405 1.00 23.43 ATOM 420 HD12 LEU 26 5.311 -42.741 -3.038 1.00 34.32 ATOM 421 HD13 LEU 26 5.581 -41.264 -2.112 1.00 62.15 ATOM 422 CD2 LEU 26 8.336 -41.705 -1.801 1.00 23.35 ATOM 423 HD21 LEU 26 9.224 -41.320 -2.274 1.00 14.21 ATOM 424 HD22 LEU 26 8.598 -42.532 -1.153 1.00 23.00 ATOM 425 HD23 LEU 26 7.888 -40.917 -1.208 1.00 72.52 ATOM 426 C LEU 26 9.799 -44.932 -3.946 1.00 3.24 ATOM 427 O LEU 26 10.406 -45.243 -2.920 1.00 72.54 ATOM 428 N TYR 27 9.637 -45.762 -4.970 1.00 54.40 ATOM 429 HN TYR 27 9.142 -45.474 -5.754 1.00 37.92 ATOM 430 CA TYR 27 10.171 -47.118 -4.947 1.00 43.14 ATOM 431 HA TYR 27 10.092 -47.499 -3.938 1.00 5.31 ATOM 432 CB TYR 27 9.358 -48.025 -5.873 1.00 1.43 ATOM 433 HB1 TYR 27 9.839 -48.996 -5.933 1.00 37.92 ATOM 434 HB2 TYR 27 9.329 -47.592 -6.859 1.00 4.52 ATOM 435 CG TYR 27 7.932 -48.234 -5.415 1.00 63.23 ATOM 436 CD1 TYR 27 7.516 -49.462 -4.917 1.00 35.44 ATOM 437 HD1 TYR 27 8.224 -50.266 -4.864 1.00 5.15 ATOM 438 CD2 TYR 27 7.002 -47.205 -5.482 1.00 53.25 ATOM 439 HD2 TYR 27 7.295 -46.246 -5.873 1.00 51.42 ATOM 440 CE1 TYR 27 6.214 -49.659 -4.498 1.00 53.11 ATOM 441 HE1 TYR 27 5.910 -50.621 -4.113 1.00 44.21 ATOM 442 CE2 TYR 27 5.698 -47.392 -5.065 1.00 3.31 ATOM 443 HE2 TYR 27 4.990 -46.579 -5.125 1.00 54.15 ATOM 444 CZ TYR 27 5.309 -48.620 -4.574 1.00 21.43 ATOM 445 OH TYR 27 4.011 -48.811 -4.158 1.00 62.10 ATOM 446 HH TYR 27 3.427 -48.860 -4.921 1.00 14.23 ATOM 447 C TYR 27 11.639 -47.132 -5.364 1.00 51.02 ATOM 448 O TYR 27 12.414 -47.977 -4.917 1.00 54.03 ATOM 449 N GLU 28 12.012 -46.189 -6.223 1.00 44.24 ATOM 450 HN GLU 28 11.354 -45.542 -6.561 1.00 37.92 ATOM 451 CA GLU 28 13.387 -46.092 -6.701 1.00 73.40 ATOM 452 HA GLU 28 13.878 -47.050 -6.568 1.00 51.13 ATOM 453 CB GLU 28 13.409 -45.742 -8.190 1.00 41.13 ATOM 454 HB1 GLU 28 14.435 -45.558 -8.492 1.00 37.92 ATOM 455 HB2 GLU 28 12.830 -44.843 -8.345 1.00 34.51 ATOM 456 CG GLU 28 12.841 -46.834 -9.081 1.00 42.12 ATOM 457 HG1 GLU 28 11.767 -46.853 -8.965 1.00 37.92 ATOM 458 HG2 GLU 28 13.252 -47.788 -8.780 1.00 10.15 ATOM 459 CD GLU 28 13.165 -46.618 -10.547 1.00 33.11 ATOM 460 OE1 GLU 28 13.778 -45.580 -10.872 1.00 12.43 ATOM 461 OE2 GLU 28 12.805 -47.487 -11.369 1.00 0.34 ATOM 462 C GLU 28 14.166 -45.046 -5.909 1.00 72.13 ATOM 463 O GLU 28 15.074 -44.402 -6.436 1.00 1.22 ATOM 464 N LEU 29 13.804 -44.882 -4.642 1.00 0.03 ATOM 465 HN LEU 29 13.101 -45.437 -4.254 1.00 37.92 ATOM 466 CA LEU 29 14.468 -43.914 -3.776 1.00 11.32 ATOM 467 HA LEU 29 14.550 -42.981 -4.312 1.00 12.35 ATOM 468 CB LEU 29 13.652 -43.697 -2.500 1.00 61.11 ATOM 469 HB1 LEU 29 14.278 -43.214 -1.757 1.00 37.92 ATOM 470 HB2 LEU 29 13.375 -44.666 -2.131 1.00 40.13 ATOM 471 CG LEU 29 12.374 -42.872 -2.653 1.00 1.53 ATOM 472 HG LEU 29 11.781 -43.313 -3.417 1.00 11.12 ATOM 473 CD1 LEU 29 11.584 -42.866 -1.353 1.00 40.33 ATOM 474 HD11 LEU 29 10.857 -42.082 -1.367 1.00 64.11 ATOM 475 HD12 LEU 29 12.254 -42.701 -0.520 1.00 25.23 ATOM 476 HD13 LEU 29 11.089 -43.812 -1.222 1.00 2.10 ATOM 477 CD2 LEU 29 12.706 -41.450 -3.084 1.00 33.32 ATOM 478 HD21 LEU 29 13.180 -41.463 -4.053 1.00 40.34 ATOM 479 HD22 LEU 29 13.372 -40.995 -2.364 1.00 23.25 ATOM 480 HD23 LEU 29 11.796 -40.867 -3.145 1.00 21.51 ATOM 481 C LEU 29 15.877 -44.378 -3.419 1.00 54.35 ATOM 482 O LEU 29 16.847 -43.640 -3.594 1.00 14.13 ATOM 483 N ASP 30 15.981 -45.605 -2.922 1.00 44.00 ATOM 484 HN ASP 30 15.170 -46.142 -2.785 1.00 37.92 ATOM 485 CA ASP 30 17.272 -46.169 -2.544 1.00 71.33 ATOM 486 HA ASP 30 18.053 -45.437 -2.723 1.00 32.12 ATOM 487 CB ASP 30 17.276 -46.539 -1.060 1.00 42.02 ATOM 488 HB1 ASP 30 18.105 -47.206 -0.854 1.00 37.92 ATOM 489 HB2 ASP 30 16.356 -47.042 -0.815 1.00 33.40 ATOM 490 CG ASP 30 17.425 -45.327 -0.162 1.00 42.31 ATOM 491 OD1 ASP 30 17.950 -45.481 0.961 1.00 52.31 ATOM 492 OD2 ASP 30 17.018 -44.224 -0.582 1.00 51.24 ATOM 493 C ASP 30 17.596 -47.398 -3.388 1.00 74.23 ATOM 494 O ASP 30 18.744 -47.616 -3.770 1.00 65.35 ATOM 495 N GLY 31 16.574 -48.199 -3.675 1.00 33.34 ATOM 496 HN GLY 31 15.677 -48.009 -3.331 1.00 37.92 ATOM 497 CA GLY 31 16.770 -49.397 -4.470 1.00 64.02 ATOM 498 HA1 GLY 31 17.631 -49.284 -5.119 1.00 37.92 ATOM 499 HA2 GLY 31 15.895 -49.541 -5.087 1.00 13.44 ATOM 500 C GLY 31 16.959 -50.635 -3.617 1.00 20.53 ATOM 501 O GLY 31 17.915 -51.388 -3.806 1.00 32.13 ATOM 502 N ASP 32 16.047 -50.847 -2.674 1.00 41.12 ATOM 503 HN ASP 32 15.301 -50.214 -2.563 1.00 37.92 ATOM 504 CA ASP 32 16.118 -52.003 -1.788 1.00 14.44 ATOM 505 HA ASP 32 16.991 -52.584 -2.059 1.00 31.10 ATOM 506 CB ASP 32 16.251 -51.549 -0.333 1.00 51.01 ATOM 507 HB1 ASP 32 15.752 -52.253 0.323 1.00 37.92 ATOM 508 HB2 ASP 32 15.792 -50.578 -0.214 1.00 41.35 ATOM 509 CG ASP 32 17.697 -51.445 0.111 1.00 52.13 ATOM 510 OD1 ASP 32 18.079 -52.158 1.062 1.00 33.42 ATOM 511 OD2 ASP 32 18.447 -50.651 -0.494 1.00 11.30 ATOM 512 C ASP 32 14.884 -52.886 -1.947 1.00 10.30 ATOM 513 O ASP 32 13.815 -52.433 -2.356 1.00 52.15 ATOM 514 N PRO 33 15.034 -54.177 -1.617 1.00 72.22 ATOM 515 CA PRO 33 13.943 -55.151 -1.716 1.00 74.10 ATOM 516 HA PRO 33 13.508 -55.158 -2.700 1.00 74.11 ATOM 517 CB PRO 33 14.639 -56.491 -1.462 1.00 14.41 ATOM 518 HB1 PRO 33 14.923 -56.930 -2.407 1.00 37.92 ATOM 519 HB2 PRO 33 13.984 -57.172 -0.932 1.00 74.31 ATOM 520 CG PRO 33 15.841 -56.145 -0.652 1.00 74.33 ATOM 521 HG1 PRO 33 16.622 -56.871 -0.824 1.00 37.92 ATOM 522 HG2 PRO 33 15.581 -56.114 0.396 1.00 15.50 ATOM 523 CD PRO 33 16.280 -54.786 -1.122 1.00 72.00 ATOM 524 HD1 PRO 33 17.007 -54.878 -1.916 1.00 37.92 ATOM 525 HD2 PRO 33 16.689 -54.226 -0.297 1.00 63.22 ATOM 526 C PRO 33 12.855 -54.910 -0.675 1.00 74.22 ATOM 527 O PRO 33 11.776 -55.500 -0.741 1.00 70.32 ATOM 528 N LYS 34 13.144 -54.039 0.286 1.00 71.34 ATOM 529 HN LYS 34 14.026 -53.620 0.330 1.00 37.92 ATOM 530 CA LYS 34 12.190 -53.718 1.340 1.00 31.15 ATOM 531 HA LYS 34 11.482 -54.529 1.428 1.00 42.22 ATOM 532 CB LYS 34 12.912 -53.568 2.681 1.00 21.43 ATOM 533 HB1 LYS 34 12.201 -53.255 3.436 1.00 37.92 ATOM 534 HB2 LYS 34 13.663 -52.795 2.575 1.00 74.33 ATOM 535 CG LYS 34 13.614 -54.835 3.139 1.00 63.12 ATOM 536 HG1 LYS 34 14.622 -54.579 3.438 1.00 37.92 ATOM 537 HG2 LYS 34 13.661 -55.545 2.321 1.00 43.45 ATOM 538 CD LYS 34 12.884 -55.489 4.300 1.00 61.33 ATOM 539 HD1 LYS 34 12.797 -56.546 4.095 1.00 37.92 ATOM 540 HD2 LYS 34 11.893 -55.071 4.416 1.00 23.20 ATOM 541 CE LYS 34 13.645 -55.317 5.605 1.00 2.52 ATOM 542 HE1 LYS 34 13.622 -54.274 5.885 1.00 37.92 ATOM 543 HE2 LYS 34 14.671 -55.629 5.462 1.00 21.40 ATOM 544 NZ LYS 34 13.052 -56.127 6.705 1.00 54.33 ATOM 545 HZ1 LYS 34 13.070 -57.139 6.460 1.00 43.03 ATOM 546 HZ2 LYS 34 12.066 -55.840 6.875 1.00 50.23 ATOM 547 HZ3 LYS 34 13.595 -55.986 7.581 1.00 64.33 ATOM 548 C LYS 34 11.429 -52.437 1.015 1.00 45.43 ATOM 549 O LYS 34 10.403 -52.140 1.627 1.00 44.12 ATOM 550 N ARG 35 11.939 -51.682 0.047 1.00 53.44 ATOM 551 HN ARG 35 12.771 -51.952 -0.401 1.00 37.92 ATOM 552 CA ARG 35 11.307 -50.432 -0.360 1.00 71.32 ATOM 553 HA ARG 35 11.345 -49.755 0.482 1.00 70.52 ATOM 554 CB ARG 35 12.058 -49.818 -1.543 1.00 75.12 ATOM 555 HB1 ARG 35 11.795 -50.323 -2.459 1.00 37.92 ATOM 556 HB2 ARG 35 13.119 -49.962 -1.381 1.00 43.43 ATOM 557 CG ARG 35 11.790 -48.334 -1.730 1.00 11.41 ATOM 558 HG1 ARG 35 10.926 -48.035 -1.150 1.00 37.92 ATOM 559 HG2 ARG 35 11.600 -48.151 -2.765 1.00 72.31 ATOM 560 CD ARG 35 12.983 -47.494 -1.301 1.00 62.22 ATOM 561 HD1 ARG 35 12.687 -46.461 -1.368 1.00 37.92 ATOM 562 HD2 ARG 35 13.806 -47.683 -1.975 1.00 61.54 ATOM 563 NE ARG 35 13.402 -47.795 0.065 1.00 34.23 ATOM 564 HE ARG 35 13.150 -48.655 0.456 1.00 3.41 ATOM 565 CZ ARG 35 14.123 -46.967 0.812 1.00 13.15 ATOM 566 NH1 ARG 35 14.503 -45.793 0.328 1.00 1.21 ATOM 567 HH11 ARG 35 14.281 -45.516 -0.590 1.00 23.54 ATOM 568 HH12 ARG 35 15.002 -45.157 0.918 1.00 21.33 ATOM 569 NH2 ARG 35 14.464 -47.312 2.047 1.00 24.23 ATOM 570 HH21 ARG 35 14.181 -48.199 2.416 1.00 62.41 ATOM 571 HH22 ARG 35 15.006 -46.688 2.614 1.00 61.44 ATOM 572 C ARG 35 9.845 -50.659 -0.734 1.00 11.21 ATOM 573 O ARG 35 8.937 -50.188 -0.048 1.00 42.34 ATOM 574 N LYS 36 9.624 -51.383 -1.826 1.00 2.20 ATOM 575 HN LYS 36 10.381 -51.699 -2.340 1.00 37.92 ATOM 576 CA LYS 36 8.273 -51.673 -2.292 1.00 24.32 ATOM 577 HA LYS 36 7.788 -50.736 -2.514 1.00 63.20 ATOM 578 CB LYS 36 8.322 -52.523 -3.563 1.00 62.35 ATOM 579 HB1 LYS 36 9.076 -52.138 -4.226 1.00 37.92 ATOM 580 HB2 LYS 36 7.362 -52.439 -4.055 1.00 74.21 ATOM 581 CG LYS 36 8.575 -53.998 -3.300 1.00 43.43 ATOM 582 HG1 LYS 36 8.427 -54.540 -4.222 1.00 37.92 ATOM 583 HG2 LYS 36 7.879 -54.375 -2.569 1.00 10.45 ATOM 584 CD LYS 36 9.992 -54.241 -2.809 1.00 24.12 ATOM 585 HD1 LYS 36 10.116 -55.302 -2.650 1.00 37.92 ATOM 586 HD2 LYS 36 10.160 -53.731 -1.886 1.00 74.43 ATOM 587 CE LYS 36 11.023 -53.790 -3.833 1.00 33.51 ATOM 588 HE1 LYS 36 11.991 -54.122 -3.511 1.00 37.92 ATOM 589 HE2 LYS 36 11.027 -52.718 -3.903 1.00 35.44 ATOM 590 NZ LYS 36 10.750 -54.360 -5.182 1.00 30.14 ATOM 591 HZ1 LYS 36 10.526 -55.377 -5.118 1.00 53.11 ATOM 592 HZ2 LYS 36 11.589 -54.247 -5.786 1.00 33.22 ATOM 593 HZ3 LYS 36 9.953 -53.865 -5.631 1.00 40.45 ATOM 594 C LYS 36 7.470 -52.396 -1.215 1.00 42.01 ATOM 595 O LYS 36 6.240 -52.354 -1.213 1.00 5.41 ATOM 596 N GLU 37 8.174 -53.057 -0.301 1.00 42.05 ATOM 597 HN GLU 37 9.146 -53.090 -0.356 1.00 37.92 ATOM 598 CA GLU 37 7.525 -53.788 0.780 1.00 11.25 ATOM 599 HA GLU 37 6.727 -54.387 0.355 1.00 10.31 ATOM 600 CB GLU 37 8.530 -54.705 1.481 1.00 13.43 ATOM 601 HB1 GLU 37 8.246 -54.815 2.522 1.00 37.92 ATOM 602 HB2 GLU 37 9.497 -54.263 1.441 1.00 51.55 ATOM 603 CG GLU 37 8.624 -56.090 0.863 1.00 0.54 ATOM 604 HG1 GLU 37 9.490 -56.119 0.218 1.00 37.92 ATOM 605 HG2 GLU 37 7.737 -56.295 0.276 1.00 71.21 ATOM 606 CD GLU 37 8.767 -57.184 1.903 1.00 1.22 ATOM 607 OE1 GLU 37 7.815 -57.975 2.068 1.00 41.21 ATOM 608 OE2 GLU 37 9.832 -57.249 2.552 1.00 2.13 ATOM 609 C GLU 37 6.906 -52.827 1.791 1.00 14.22 ATOM 610 O GLU 37 5.727 -52.939 2.130 1.00 24.45 ATOM 611 N PHE 38 7.709 -51.882 2.269 1.00 15.12 ATOM 612 HN PHE 38 8.642 -51.838 1.954 1.00 37.92 ATOM 613 CA PHE 38 7.241 -50.902 3.242 1.00 10.34 ATOM 614 HA PHE 38 6.807 -51.435 4.078 1.00 41.45 ATOM 615 CB PHE 38 8.412 -50.059 3.752 1.00 50.11 ATOM 616 HB1 PHE 38 8.931 -49.660 2.896 1.00 37.92 ATOM 617 HB2 PHE 38 9.089 -50.696 4.307 1.00 14.34 ATOM 618 CG PHE 38 7.991 -48.918 4.633 1.00 34.03 ATOM 619 CD1 PHE 38 7.653 -47.690 4.086 1.00 24.54 ATOM 620 HD1 PHE 38 7.697 -47.556 3.019 1.00 35.42 ATOM 621 CD2 PHE 38 7.932 -49.073 6.009 1.00 62.10 ATOM 622 HD2 PHE 38 8.192 -50.025 6.452 1.00 62.42 ATOM 623 CE1 PHE 38 7.265 -46.639 4.895 1.00 51.34 ATOM 624 HE1 PHE 38 7.005 -45.687 4.456 1.00 24.00 ATOM 625 CE2 PHE 38 7.544 -48.025 6.822 1.00 30.21 ATOM 626 HE2 PHE 38 7.509 -48.153 7.891 1.00 40.51 ATOM 627 CZ PHE 38 7.211 -46.806 6.264 1.00 21.14 ATOM 628 HZ PHE 38 6.908 -45.986 6.898 1.00 62.04 ATOM 629 C PHE 38 6.175 -49.996 2.633 1.00 40.12 ATOM 630 O PHE 38 5.175 -49.675 3.276 1.00 11.32 ATOM 631 N LEU 39 6.396 -49.587 1.388 1.00 1.25 ATOM 632 HN LEU 39 7.219 -49.868 0.923 1.00 37.92 ATOM 633 CA LEU 39 5.456 -48.717 0.690 1.00 35.25 ATOM 634 HA LEU 39 5.264 -47.855 1.310 1.00 14.22 ATOM 635 CB LEU 39 6.047 -48.261 -0.644 1.00 53.25 ATOM 636 HB1 LEU 39 5.304 -47.681 -1.164 1.00 37.92 ATOM 637 HB2 LEU 39 6.264 -49.141 -1.234 1.00 31.14 ATOM 638 CG LEU 39 7.323 -47.422 -0.562 1.00 15.02 ATOM 639 HG LEU 39 8.123 -48.027 -0.178 1.00 63.13 ATOM 640 CD1 LEU 39 7.729 -46.930 -1.942 1.00 74.55 ATOM 641 HD11 LEU 39 6.946 -46.308 -2.355 1.00 52.41 ATOM 642 HD12 LEU 39 7.897 -47.776 -2.594 1.00 32.53 ATOM 643 HD13 LEU 39 8.636 -46.358 -1.863 1.00 52.13 ATOM 644 CD2 LEU 39 7.129 -46.249 0.388 1.00 20.13 ATOM 645 HD21 LEU 39 6.947 -46.605 1.384 1.00 73.12 ATOM 646 HD22 LEU 39 6.290 -45.651 0.063 1.00 32.41 ATOM 647 HD23 LEU 39 8.021 -45.635 0.392 1.00 51.13 ATOM 648 C LEU 39 4.128 -49.429 0.455 1.00 75.55 ATOM 649 O LEU 39 3.077 -48.969 0.901 1.00 13.21 ATOM 650 N ASP 40 4.183 -50.556 -0.248 1.00 11.32 ATOM 651 HN ASP 40 5.056 -50.874 -0.582 1.00 37.92 ATOM 652 CA ASP 40 2.985 -51.334 -0.540 1.00 71.03 ATOM 653 HA ASP 40 2.351 -50.736 -1.181 1.00 22.34 ATOM 654 CB ASP 40 3.356 -52.626 -1.270 1.00 32.23 ATOM 655 HB1 ASP 40 3.940 -53.258 -0.614 1.00 37.92 ATOM 656 HB2 ASP 40 3.946 -52.379 -2.140 1.00 42.11 ATOM 657 CG ASP 40 2.137 -53.401 -1.731 1.00 41.11 ATOM 658 OD1 ASP 40 1.767 -54.382 -1.054 1.00 21.43 ATOM 659 OD2 ASP 40 1.554 -53.026 -2.770 1.00 73.30 ATOM 660 C ASP 40 2.222 -51.659 0.740 1.00 30.11 ATOM 661 O ASP 40 1.018 -51.421 0.834 1.00 33.53 ATOM 662 N ASP 41 2.931 -52.205 1.722 1.00 14.55 ATOM 663 HN ASP 41 3.895 -52.373 1.586 1.00 37.92 ATOM 664 CA ASP 41 2.321 -52.563 2.998 1.00 54.43 ATOM 665 HA ASP 41 1.517 -53.263 2.803 1.00 24.23 ATOM 666 CB ASP 41 3.352 -53.225 3.913 1.00 51.23 ATOM 667 HB1 ASP 41 2.958 -53.275 4.922 1.00 37.92 ATOM 668 HB2 ASP 41 4.253 -52.637 3.922 1.00 23.44 ATOM 669 CG ASP 41 3.691 -54.637 3.477 1.00 53.32 ATOM 670 OD1 ASP 41 3.864 -55.504 4.358 1.00 14.13 ATOM 671 OD2 ASP 41 3.784 -54.874 2.254 1.00 33.31 ATOM 672 C ASP 41 1.730 -51.333 3.682 1.00 61.52 ATOM 673 O ASP 41 0.654 -51.398 4.278 1.00 24.43 ATOM 674 N LEU 42 2.441 -50.215 3.592 1.00 13.45 ATOM 675 HN LEU 42 3.304 -50.223 3.113 1.00 37.92 ATOM 676 CA LEU 42 1.988 -48.970 4.204 1.00 52.23 ATOM 677 HA LEU 42 1.866 -49.140 5.265 1.00 72.11 ATOM 678 CB LEU 42 3.031 -47.870 3.999 1.00 13.55 ATOM 679 HB1 LEU 42 3.241 -47.813 2.944 1.00 37.92 ATOM 680 HB2 LEU 42 3.936 -48.175 4.504 1.00 72.42 ATOM 681 CG LEU 42 2.644 -46.477 4.499 1.00 30.24 ATOM 682 HG LEU 42 1.587 -46.328 4.404 1.00 14.42 ATOM 683 CD1 LEU 42 2.992 -46.323 5.972 1.00 72.12 ATOM 684 HD11 LEU 42 2.580 -45.397 6.338 1.00 41.23 ATOM 685 HD12 LEU 42 4.066 -46.318 6.100 1.00 63.43 ATOM 686 HD13 LEU 42 2.569 -47.144 6.536 1.00 3.32 ATOM 687 CD2 LEU 42 3.333 -45.403 3.671 1.00 5.43 ATOM 688 HD21 LEU 42 3.064 -45.518 2.638 1.00 14.45 ATOM 689 HD22 LEU 42 4.406 -45.494 3.773 1.00 74.05 ATOM 690 HD23 LEU 42 3.021 -44.426 4.013 1.00 4.35 ATOM 691 C LEU 42 0.649 -48.532 3.619 1.00 13.13 ATOM 692 O LEU 42 -0.301 -48.258 4.353 1.00 0.33 ATOM 693 N PHE 43 0.579 -48.470 2.294 1.00 63.44 ATOM 694 HN PHE 43 1.369 -48.733 1.765 1.00 37.92 ATOM 695 CA PHE 43 -0.644 -48.067 1.610 1.00 31.10 ATOM 696 HA PHE 43 -0.930 -47.096 1.968 1.00 31.41 ATOM 697 CB PHE 43 -0.405 -47.979 0.101 1.00 32.23 ATOM 698 HB1 PHE 43 -1.235 -47.458 -0.354 1.00 37.92 ATOM 699 HB2 PHE 43 -0.349 -48.981 -0.311 1.00 72.50 ATOM 700 CG PHE 43 0.854 -47.247 -0.265 1.00 10.34 ATOM 701 CD1 PHE 43 1.227 -46.100 0.417 1.00 12.51 ATOM 702 HD1 PHE 43 0.620 -45.737 1.225 1.00 12.05 ATOM 703 CD2 PHE 43 1.665 -47.705 -1.291 1.00 35.04 ATOM 704 HD2 PHE 43 1.388 -48.599 -1.833 1.00 32.05 ATOM 705 CE1 PHE 43 2.385 -45.423 0.083 1.00 22.23 ATOM 706 HE1 PHE 43 2.664 -44.530 0.622 1.00 45.14 ATOM 707 CE2 PHE 43 2.824 -47.033 -1.629 1.00 21.34 ATOM 708 HE2 PHE 43 3.446 -47.395 -2.425 1.00 20.34 ATOM 709 CZ PHE 43 3.184 -45.890 -0.942 1.00 22.33 ATOM 710 HZ PHE 43 4.089 -45.363 -1.205 1.00 12.13 ATOM 711 C PHE 43 -1.778 -49.046 1.901 1.00 64.54 ATOM 712 O PHE 43 -2.877 -48.645 2.282 1.00 40.22 ATOM 713 N SER 44 -1.501 -50.334 1.717 1.00 12.40 ATOM 714 HN SER 44 -0.599 -50.595 1.411 1.00 37.92 ATOM 715 CA SER 44 -2.498 -51.371 1.955 1.00 40.02 ATOM 716 HA SER 44 -3.355 -51.166 1.327 1.00 13.24 ATOM 717 CB SER 44 -1.934 -52.744 1.585 1.00 60.21 ATOM 718 HB1 SER 44 -2.451 -53.522 2.137 1.00 37.92 ATOM 719 HB2 SER 44 -0.881 -52.781 1.824 1.00 3.11 ATOM 720 OG SER 44 -2.092 -53.004 0.201 1.00 62.32 ATOM 721 HG SER 44 -2.991 -53.294 0.027 1.00 22.15 ATOM 722 C SER 44 -2.947 -51.369 3.413 1.00 41.00 ATOM 723 O SER 44 -4.073 -51.754 3.728 1.00 10.14 ATOM 724 N PHE 45 -2.057 -50.933 4.299 1.00 54.33 ATOM 725 HN PHE 45 -1.160 -50.659 4.001 1.00 37.92 ATOM 726 CA PHE 45 -2.360 -50.881 5.724 1.00 11.02 ATOM 727 HA PHE 45 -2.826 -51.816 6.009 1.00 31.04 ATOM 728 CB PHE 45 -1.073 -50.710 6.535 1.00 75.15 ATOM 729 HB1 PHE 45 -0.447 -49.971 6.056 1.00 37.92 ATOM 730 HB2 PHE 45 -0.544 -51.654 6.550 1.00 71.04 ATOM 731 CG PHE 45 -1.312 -50.287 7.956 1.00 41.33 ATOM 732 CD1 PHE 45 -1.789 -51.191 8.891 1.00 11.10 ATOM 733 HD1 PHE 45 -1.992 -52.211 8.594 1.00 2.42 ATOM 734 CD2 PHE 45 -1.058 -48.985 8.357 1.00 54.14 ATOM 735 HD2 PHE 45 -0.685 -48.268 7.639 1.00 21.11 ATOM 736 CE1 PHE 45 -2.010 -50.804 10.199 1.00 10.42 ATOM 737 HE1 PHE 45 -2.390 -51.512 10.894 1.00 44.22 ATOM 738 CE2 PHE 45 -1.277 -48.592 9.664 1.00 51.14 ATOM 739 HE2 PHE 45 -1.084 -47.585 9.944 1.00 64.24 ATOM 740 CZ PHE 45 -1.753 -49.503 10.586 1.00 4.13 ATOM 741 HZ PHE 45 -1.939 -49.191 11.593 1.00 42.14 ATOM 742 C PHE 45 -3.325 -49.740 6.034 1.00 30.32 ATOM 743 O PHE 45 -4.416 -49.962 6.558 1.00 13.41 ATOM 744 N MET 46 -2.913 -48.520 5.707 1.00 55.30 ATOM 745 HN MET 46 -2.012 -48.413 5.325 1.00 37.92 ATOM 746 CA MET 46 -3.741 -47.344 5.950 1.00 53.13 ATOM 747 HA MET 46 -3.978 -47.312 7.003 1.00 53.01 ATOM 748 CB MET 46 -2.978 -46.071 5.578 1.00 10.05 ATOM 749 HB1 MET 46 -2.144 -45.981 6.260 1.00 37.92 ATOM 750 HB2 MET 46 -3.611 -45.220 5.704 1.00 24.12 ATOM 751 CG MET 46 -2.444 -46.076 4.155 1.00 1.13 ATOM 752 HG1 MET 46 -3.194 -45.679 3.497 1.00 37.92 ATOM 753 HG2 MET 46 -2.211 -47.070 3.849 1.00 42.32 ATOM 754 SD MET 46 -0.949 -45.085 3.971 1.00 24.32 ATOM 755 CE MET 46 -1.541 -43.478 4.493 1.00 11.32 ATOM 756 HE1 MET 46 -2.599 -43.403 4.323 1.00 4.34 ATOM 757 HE2 MET 46 -1.049 -42.723 3.928 1.00 32.34 ATOM 758 HE3 MET 46 -1.339 -43.343 5.539 1.00 52.12 ATOM 759 C MET 46 -5.041 -47.421 5.156 1.00 74.03 ATOM 760 O MET 46 -6.121 -47.170 5.691 1.00 61.42 ATOM 761 N GLN 47 -4.929 -47.769 3.878 1.00 55.32 ATOM 762 HN GLN 47 -4.051 -48.000 3.511 1.00 37.92 ATOM 763 CA GLN 47 -6.097 -47.877 3.011 1.00 20.31 ATOM 764 HA GLN 47 -6.506 -46.890 2.878 1.00 14.44 ATOM 765 CB GLN 47 -5.694 -48.436 1.645 1.00 33.23 ATOM 766 HB1 GLN 47 -5.092 -49.319 1.802 1.00 37.92 ATOM 767 HB2 GLN 47 -5.100 -47.698 1.128 1.00 43.34 ATOM 768 CG GLN 47 -6.878 -48.836 0.778 1.00 5.45 ATOM 769 HG1 GLN 47 -7.740 -48.234 1.044 1.00 37.92 ATOM 770 HG2 GLN 47 -7.101 -49.876 0.960 1.00 25.32 ATOM 771 CD GLN 47 -6.603 -48.658 -0.702 1.00 11.53 ATOM 772 OE1 GLN 47 -5.519 -48.982 -1.187 1.00 40.23 ATOM 773 NE2 GLN 47 -7.587 -48.140 -1.428 1.00 44.33 ATOM 774 HE21 GLN 47 -8.434 -47.899 -0.989 1.00 44.45 ATOM 775 HE22 GLN 47 -7.428 -48.017 -2.387 1.00 52.24 ATOM 776 C GLN 47 -7.163 -48.766 3.643 1.00 13.00 ATOM 777 O GLN 47 -8.360 -48.559 3.440 1.00 42.13 ATOM 778 N LYS 48 -6.722 -49.757 4.410 1.00 1.24 ATOM 779 HN LYS 48 -5.754 -49.906 4.513 1.00 37.92 ATOM 780 CA LYS 48 -7.637 -50.678 5.074 1.00 54.34 ATOM 781 HA LYS 48 -8.424 -50.944 4.375 1.00 3.41 ATOM 782 CB LYS 48 -6.897 -51.948 5.498 1.00 71.12 ATOM 783 HB1 LYS 48 -7.455 -52.446 6.283 1.00 37.92 ATOM 784 HB2 LYS 48 -5.929 -51.673 5.886 1.00 2.41 ATOM 785 CG LYS 48 -6.705 -52.946 4.369 1.00 53.12 ATOM 786 HG1 LYS 48 -6.410 -52.413 3.472 1.00 37.92 ATOM 787 HG2 LYS 48 -7.642 -53.453 4.193 1.00 35.52 ATOM 788 CD LYS 48 -5.648 -53.981 4.713 1.00 24.12 ATOM 789 HD1 LYS 48 -6.084 -54.712 5.378 1.00 37.92 ATOM 790 HD2 LYS 48 -4.811 -53.505 5.204 1.00 54.33 ATOM 791 CE LYS 48 -5.141 -54.695 3.470 1.00 60.35 ATOM 792 HE1 LYS 48 -4.437 -55.456 3.771 1.00 37.92 ATOM 793 HE2 LYS 48 -4.645 -53.979 2.832 1.00 13.11 ATOM 794 NZ LYS 48 -6.249 -55.335 2.707 1.00 2.03 ATOM 795 HZ1 LYS 48 -5.856 -55.935 1.954 1.00 32.02 ATOM 796 HZ2 LYS 48 -6.854 -54.612 2.269 1.00 62.21 ATOM 797 HZ3 LYS 48 -6.833 -55.929 3.334 1.00 22.25 ATOM 798 C LYS 48 -8.282 -50.022 6.291 1.00 42.23 ATOM 799 O LYS 48 -9.430 -50.312 6.629 1.00 44.33 ATOM 800 N ARG 49 -7.537 -49.136 6.944 1.00 63.21 ATOM 801 HN ARG 49 -6.620 -48.960 6.647 1.00 37.92 ATOM 802 CA ARG 49 -8.036 -48.439 8.123 1.00 32.31 ATOM 803 HA ARG 49 -8.568 -49.150 8.743 1.00 0.30 ATOM 804 CB ARG 49 -6.873 -47.864 8.932 1.00 3.45 ATOM 805 HB1 ARG 49 -5.959 -48.378 8.661 1.00 37.92 ATOM 806 HB2 ARG 49 -7.071 -48.038 9.980 1.00 43.00 ATOM 807 CG ARG 49 -6.670 -46.371 8.731 1.00 54.30 ATOM 808 HG1 ARG 49 -7.494 -45.835 9.178 1.00 37.92 ATOM 809 HG2 ARG 49 -6.631 -46.167 7.689 1.00 24.21 ATOM 810 CD ARG 49 -5.381 -45.891 9.378 1.00 2.14 ATOM 811 HD1 ARG 49 -5.378 -44.813 9.418 1.00 37.92 ATOM 812 HD2 ARG 49 -4.552 -46.222 8.773 1.00 2.10 ATOM 813 NE ARG 49 -5.214 -46.425 10.727 1.00 11.25 ATOM 814 HE ARG 49 -4.579 -47.164 10.843 1.00 71.12 ATOM 815 CZ ARG 49 -5.877 -45.970 11.785 1.00 61.10 ATOM 816 NH1 ARG 49 -6.747 -44.979 11.650 1.00 2.52 ATOM 817 HH11 ARG 49 -6.925 -44.552 10.770 1.00 60.25 ATOM 818 HH12 ARG 49 -7.243 -44.647 12.455 1.00 44.20 ATOM 819 NH2 ARG 49 -5.671 -46.508 12.980 1.00 3.34 ATOM 820 HH21 ARG 49 -5.016 -47.258 13.088 1.00 61.51 ATOM 821 HH22 ARG 49 -6.170 -46.166 13.780 1.00 42.25 ATOM 822 C ARG 49 -8.997 -47.322 7.728 1.00 40.32 ATOM 823 O ARG 49 -9.736 -46.800 8.562 1.00 63.30 ATOM 824 N GLY 50 -8.980 -46.958 6.449 1.00 73.52 ATOM 825 HN GLY 50 -8.370 -47.382 5.815 1.00 37.92 ATOM 826 CA GLY 50 -9.853 -45.905 5.965 1.00 14.14 ATOM 827 HA1 GLY 50 -10.611 -45.665 6.700 1.00 37.92 ATOM 828 HA2 GLY 50 -10.347 -46.259 5.072 1.00 34.30 ATOM 829 C GLY 50 -9.096 -44.639 5.618 1.00 54.54 ATOM 830 O GLY 50 -9.577 -43.531 5.862 1.00 62.20 ATOM 831 N THR 51 -7.907 -44.800 5.046 1.00 2.12 ATOM 832 HN THR 51 -7.572 -45.706 4.860 1.00 37.92 ATOM 833 CA THR 51 -7.080 -43.661 4.667 1.00 73.12 ATOM 834 HA THR 51 -7.708 -42.919 4.191 1.00 54.44 ATOM 835 CB THR 51 -6.437 -42.998 5.900 1.00 73.24 ATOM 836 HB THR 51 -7.221 -42.565 6.506 1.00 70.11 ATOM 837 OG1 THR 51 -5.539 -41.962 5.486 1.00 33.23 ATOM 838 HG1 THR 51 -6.037 -41.166 5.283 1.00 23.33 ATOM 839 CG2 THR 51 -5.686 -44.024 6.735 1.00 12.33 ATOM 840 HG21 THR 51 -5.700 -44.991 6.275 1.00 42.15 ATOM 841 HG22 THR 51 -6.161 -44.065 7.687 1.00 5.12 ATOM 842 HG23 THR 51 -4.661 -43.703 6.868 1.00 41.45 ATOM 843 C THR 51 -5.981 -44.078 3.697 1.00 61.51 ATOM 844 O THR 51 -4.801 -44.132 4.044 1.00 21.12 ATOM 845 N PRO 52 -6.374 -44.381 2.451 1.00 64.04 ATOM 846 CA PRO 52 -5.435 -44.798 1.404 1.00 15.12 ATOM 847 HA PRO 52 -4.825 -45.629 1.726 1.00 52.35 ATOM 848 CB PRO 52 -6.353 -45.243 0.263 1.00 64.45 ATOM 849 HB1 PRO 52 -6.526 -46.281 0.338 1.00 37.92 ATOM 850 HB2 PRO 52 -5.923 -45.022 -0.704 1.00 4.30 ATOM 851 CG PRO 52 -7.619 -44.489 0.478 1.00 71.14 ATOM 852 HG1 PRO 52 -8.452 -45.046 0.075 1.00 37.92 ATOM 853 HG2 PRO 52 -7.553 -43.519 0.008 1.00 44.34 ATOM 854 CD PRO 52 -7.764 -44.339 1.967 1.00 42.02 ATOM 855 HD1 PRO 52 -8.341 -45.156 2.375 1.00 37.92 ATOM 856 HD2 PRO 52 -8.230 -43.394 2.197 1.00 55.25 ATOM 857 C PRO 52 -4.532 -43.657 0.948 1.00 71.43 ATOM 858 O PRO 52 -4.542 -42.573 1.530 1.00 11.12 ATOM 859 N VAL 53 -3.752 -43.909 -0.099 1.00 22.14 ATOM 860 HN VAL 53 -3.768 -44.796 -0.524 1.00 37.92 ATOM 861 CA VAL 53 -2.843 -42.902 -0.634 1.00 73.55 ATOM 862 HA VAL 53 -2.921 -41.997 -0.036 1.00 25.51 ATOM 863 CB VAL 53 -1.379 -43.376 -0.569 1.00 71.33 ATOM 864 HB VAL 53 -1.281 -44.273 -1.166 1.00 54.44 ATOM 865 CG1 VAL 53 -0.449 -42.319 -1.144 1.00 54.42 ATOM 866 HG11 VAL 53 -0.681 -41.355 -0.732 1.00 64.04 ATOM 867 HG12 VAL 53 -0.558 -42.284 -2.217 1.00 41.13 ATOM 868 HG13 VAL 53 0.578 -42.568 -0.909 1.00 4.41 ATOM 869 CG2 VAL 53 -0.993 -43.716 0.862 1.00 22.23 ATOM 870 HG21 VAL 53 -1.487 -43.052 1.550 1.00 11.02 ATOM 871 HG22 VAL 53 0.079 -43.637 0.995 1.00 43.10 ATOM 872 HG23 VAL 53 -1.301 -44.729 1.070 1.00 71.33 ATOM 873 C VAL 53 -3.192 -42.561 -2.079 1.00 4.02 ATOM 874 O VAL 53 -2.973 -43.362 -2.987 1.00 33.04 ATOM 875 N ASN 54 -3.734 -41.365 -2.284 1.00 74.20 ATOM 876 HN ASN 54 -3.873 -40.755 -1.520 1.00 37.92 ATOM 877 CA ASN 54 -4.113 -40.917 -3.619 1.00 55.10 ATOM 878 HA ASN 54 -4.343 -41.783 -4.230 1.00 65.43 ATOM 879 CB ASN 54 -5.360 -40.033 -3.548 1.00 13.11 ATOM 880 HB1 ASN 54 -5.635 -39.718 -4.546 1.00 37.92 ATOM 881 HB2 ASN 54 -5.144 -39.164 -2.947 1.00 33.32 ATOM 882 CG ASN 54 -6.545 -40.753 -2.933 1.00 0.42 ATOM 883 OD1 ASN 54 -6.568 -41.981 -2.857 1.00 71.12 ATOM 884 ND2 ASN 54 -7.536 -39.988 -2.490 1.00 35.31 ATOM 885 HD21 ASN 54 -7.463 -39.010 -2.577 1.00 64.43 ATOM 886 HD22 ASN 54 -8.311 -40.434 -2.089 1.00 74.40 ATOM 887 C ASN 54 -2.971 -40.152 -4.281 1.00 32.03 ATOM 888 O ASN 54 -2.494 -40.531 -5.350 1.00 74.35 ATOM 889 N ARG 55 -2.537 -39.074 -3.637 1.00 10.35 ATOM 890 HN ARG 55 -2.933 -38.833 -2.772 1.00 37.92 ATOM 891 CA ARG 55 -1.451 -38.255 -4.162 1.00 73.15 ATOM 892 HA ARG 55 -1.071 -38.700 -5.073 1.00 1.54 ATOM 893 CB ARG 55 -1.957 -36.849 -4.489 1.00 43.40 ATOM 894 HB1 ARG 55 -2.688 -36.919 -5.283 1.00 37.92 ATOM 895 HB2 ARG 55 -1.124 -36.254 -4.845 1.00 41.35 ATOM 896 CG ARG 55 -2.573 -36.131 -3.299 1.00 64.10 ATOM 897 HG1 ARG 55 -2.389 -35.072 -3.412 1.00 37.92 ATOM 898 HG2 ARG 55 -2.126 -36.471 -2.375 1.00 24.40 ATOM 899 CD ARG 55 -4.074 -36.359 -3.227 1.00 74.33 ATOM 900 HD1 ARG 55 -4.251 -37.260 -2.668 1.00 37.92 ATOM 901 HD2 ARG 55 -4.488 -36.474 -4.221 1.00 5.20 ATOM 902 NE ARG 55 -4.762 -35.265 -2.547 1.00 33.42 ATOM 903 HE ARG 55 -5.071 -35.429 -1.629 1.00 53.13 ATOM 904 CZ ARG 55 -4.985 -34.079 -3.102 1.00 35.41 ATOM 905 NH1 ARG 55 -4.578 -33.836 -4.340 1.00 5.33 ATOM 906 HH11 ARG 55 -4.102 -34.524 -4.880 1.00 72.32 ATOM 907 HH12 ARG 55 -4.752 -32.937 -4.748 1.00 21.13 ATOM 908 NH2 ARG 55 -5.618 -33.134 -2.419 1.00 35.34 ATOM 909 HH21 ARG 55 -5.930 -33.312 -1.483 1.00 63.44 ATOM 910 HH22 ARG 55 -5.787 -32.238 -2.836 1.00 62.21 ATOM 911 C ARG 55 -0.299 -38.174 -3.165 1.00 71.43 ATOM 912 O ARG 55 -0.442 -38.559 -2.004 1.00 52.13 ATOM 913 N ILE 56 0.842 -37.673 -3.627 1.00 14.14 ATOM 914 HN ILE 56 0.906 -37.385 -4.567 1.00 37.92 ATOM 915 CA ILE 56 2.017 -37.542 -2.775 1.00 44.42 ATOM 916 HA ILE 56 1.742 -37.859 -1.780 1.00 11.14 ATOM 917 CB ILE 56 3.163 -38.454 -3.252 1.00 74.31 ATOM 918 HB ILE 56 3.458 -38.139 -4.245 1.00 60.02 ATOM 919 CG1 ILE 56 2.695 -39.910 -3.307 1.00 74.00 ATOM 920 HG11 ILE 56 1.748 -39.971 -3.827 1.00 37.92 ATOM 921 HG12 ILE 56 2.567 -40.290 -2.303 1.00 23.34 ATOM 922 CG2 ILE 56 4.368 -38.314 -2.335 1.00 64.21 ATOM 923 HG21 ILE 56 4.119 -38.675 -1.349 1.00 43.40 ATOM 924 HG22 ILE 56 4.686 -37.285 -2.273 1.00 64.43 ATOM 925 HG23 ILE 56 5.184 -38.901 -2.724 1.00 14.21 ATOM 926 CD1 ILE 56 3.657 -40.827 -4.029 1.00 31.34 ATOM 927 HD11 ILE 56 4.669 -40.452 -4.001 1.00 74.51 ATOM 928 HD12 ILE 56 3.332 -40.927 -5.040 1.00 22.11 ATOM 929 HD13 ILE 56 3.616 -41.794 -3.563 1.00 43.45 ATOM 930 C ILE 56 2.512 -36.100 -2.740 1.00 45.21 ATOM 931 O ILE 56 2.644 -35.437 -3.770 1.00 24.35 ATOM 932 N PRO 57 2.796 -35.601 -1.528 1.00 15.32 ATOM 933 CA PRO 57 3.283 -34.233 -1.329 1.00 43.40 ATOM 934 HA PRO 57 2.625 -33.510 -1.794 1.00 10.41 ATOM 935 CB PRO 57 3.240 -34.058 0.191 1.00 22.01 ATOM 936 HB1 PRO 57 2.300 -33.610 0.458 1.00 37.92 ATOM 937 HB2 PRO 57 4.052 -33.426 0.532 1.00 4.44 ATOM 938 CG PRO 57 3.354 -35.440 0.735 1.00 72.54 ATOM 939 HG1 PRO 57 2.866 -35.500 1.696 1.00 37.92 ATOM 940 HG2 PRO 57 4.395 -35.714 0.824 1.00 74.20 ATOM 941 CD PRO 57 2.662 -36.334 -0.258 1.00 13.44 ATOM 942 HD1 PRO 57 1.622 -36.454 0.008 1.00 37.92 ATOM 943 HD2 PRO 57 3.150 -37.283 -0.286 1.00 22.24 ATOM 944 C PRO 57 4.705 -34.043 -1.847 1.00 31.11 ATOM 945 O PRO 57 5.532 -34.951 -1.763 1.00 60.53 ATOM 946 N ILE 58 4.982 -32.858 -2.381 1.00 70.40 ATOM 947 HN ILE 58 4.285 -32.165 -2.425 1.00 37.92 ATOM 948 CA ILE 58 6.305 -32.550 -2.911 1.00 35.43 ATOM 949 HA ILE 58 6.944 -33.420 -2.792 1.00 5.34 ATOM 950 CB ILE 58 6.245 -32.213 -4.412 1.00 61.43 ATOM 951 HB ILE 58 5.686 -31.295 -4.538 1.00 21.11 ATOM 952 CG1 ILE 58 5.536 -33.331 -5.180 1.00 65.04 ATOM 953 HG11 ILE 58 5.457 -33.048 -6.221 1.00 37.92 ATOM 954 HG12 ILE 58 4.542 -33.475 -4.782 1.00 65.22 ATOM 955 CG2 ILE 58 7.647 -31.992 -4.961 1.00 74.24 ATOM 956 HG21 ILE 58 8.073 -31.100 -4.528 1.00 13.01 ATOM 957 HG22 ILE 58 7.602 -31.869 -6.035 1.00 65.35 ATOM 958 HG23 ILE 58 8.268 -32.833 -4.730 1.00 24.12 ATOM 959 CD1 ILE 58 6.259 -34.658 -5.119 1.00 62.53 ATOM 960 HD11 ILE 58 7.278 -34.555 -5.454 1.00 42.42 ATOM 961 HD12 ILE 58 5.750 -35.364 -5.758 1.00 43.42 ATOM 962 HD13 ILE 58 6.242 -35.025 -4.109 1.00 15.11 ATOM 963 C ILE 58 6.937 -31.381 -2.163 1.00 64.45 ATOM 964 O ILE 58 6.405 -30.272 -2.162 1.00 44.31 ATOM 965 N MET 59 8.077 -31.638 -1.530 1.00 63.35 ATOM 966 HN MET 59 8.468 -32.543 -1.573 1.00 37.92 ATOM 967 CA MET 59 8.785 -30.606 -0.782 1.00 32.02 ATOM 968 HA MET 59 8.101 -29.783 -0.600 1.00 14.13 ATOM 969 CB MET 59 9.250 -31.154 0.569 1.00 45.15 ATOM 970 HB1 MET 59 10.084 -31.827 0.412 1.00 37.92 ATOM 971 HB2 MET 59 8.440 -31.717 1.016 1.00 13.25 ATOM 972 CG MET 59 9.693 -30.074 1.543 1.00 73.04 ATOM 973 HG1 MET 59 10.325 -29.367 1.025 1.00 37.92 ATOM 974 HG2 MET 59 10.266 -30.540 2.331 1.00 5.33 ATOM 975 SD MET 59 8.304 -29.182 2.269 1.00 72.44 ATOM 976 CE MET 59 8.253 -29.910 3.905 1.00 54.44 ATOM 977 HE1 MET 59 9.192 -29.731 4.408 1.00 55.22 ATOM 978 HE2 MET 59 8.087 -30.974 3.821 1.00 71.10 ATOM 979 HE3 MET 59 7.450 -29.464 4.473 1.00 13.32 ATOM 980 C MET 59 9.981 -30.085 -1.572 1.00 51.30 ATOM 981 O MET 59 10.814 -30.861 -2.039 1.00 53.23 ATOM 982 N ALA 60 10.059 -28.766 -1.718 1.00 11.04 ATOM 983 HN ALA 60 9.368 -28.186 -1.327 1.00 37.92 ATOM 984 CA ALA 60 11.154 -28.142 -2.450 1.00 11.23 ATOM 985 HA ALA 60 10.916 -27.096 -2.577 1.00 71.14 ATOM 986 CB ALA 60 12.446 -28.240 -1.652 1.00 71.42 ATOM 987 HB1 ALA 60 12.305 -27.763 -0.696 1.00 14.22 ATOM 988 HB2 ALA 60 13.242 -27.745 -2.189 1.00 54.12 ATOM 989 HB3 ALA 60 12.703 -29.279 -1.501 1.00 12.41 ATOM 990 C ALA 60 11.329 -28.778 -3.824 1.00 74.43 ATOM 991 O ALA 60 12.449 -28.937 -4.309 1.00 23.22 ATOM 992 N LYS 61 10.214 -29.142 -4.449 1.00 34.44 ATOM 993 HN LYS 61 9.338 -28.980 -4.034 1.00 37.92 ATOM 994 CA LYS 61 10.242 -29.762 -5.768 1.00 44.23 ATOM 995 HA LYS 61 9.224 -29.851 -6.104 1.00 52.03 ATOM 996 CB LYS 61 11.023 -28.884 -6.749 1.00 54.14 ATOM 997 HB1 LYS 61 10.798 -29.201 -7.755 1.00 37.92 ATOM 998 HB2 LYS 61 12.085 -29.002 -6.585 1.00 43.25 ATOM 999 CG LYS 61 10.693 -27.405 -6.637 1.00 71.55 ATOM 1000 HG1 LYS 61 11.277 -26.882 -7.383 1.00 37.92 ATOM 1001 HG2 LYS 61 10.960 -27.037 -5.663 1.00 42.41 ATOM 1002 CD LYS 61 9.216 -27.143 -6.881 1.00 61.53 ATOM 1003 HD1 LYS 61 8.695 -27.202 -5.936 1.00 37.92 ATOM 1004 HD2 LYS 61 8.818 -27.889 -7.559 1.00 22.33 ATOM 1005 CE LYS 61 8.988 -25.771 -7.496 1.00 74.11 ATOM 1006 HE1 LYS 61 8.675 -25.895 -8.522 1.00 37.92 ATOM 1007 HE2 LYS 61 9.902 -25.199 -7.464 1.00 62.24 ATOM 1008 NZ LYS 61 7.945 -25.001 -6.763 1.00 21.35 ATOM 1009 HZ1 LYS 61 8.229 -24.859 -5.771 1.00 3.03 ATOM 1010 HZ2 LYS 61 7.037 -25.510 -6.783 1.00 13.44 ATOM 1011 HZ3 LYS 61 7.814 -24.070 -7.208 1.00 41.44 ATOM 1012 C LYS 61 10.869 -31.151 -5.704 1.00 31.02 ATOM 1013 O LYS 61 11.518 -31.593 -6.651 1.00 45.41 ATOM 1014 N GLN 62 10.668 -31.834 -4.582 1.00 32.43 ATOM 1015 HN GLN 62 10.133 -31.445 -3.861 1.00 37.92 ATOM 1016 CA GLN 62 11.213 -33.174 -4.396 1.00 10.14 ATOM 1017 HA GLN 62 11.380 -33.616 -5.365 1.00 63.41 ATOM 1018 CB GLN 62 12.552 -33.105 -3.658 1.00 55.34 ATOM 1019 HB1 GLN 62 12.576 -32.220 -3.039 1.00 37.92 ATOM 1020 HB2 GLN 62 13.347 -33.039 -4.387 1.00 34.41 ATOM 1021 CG GLN 62 12.819 -34.308 -2.768 1.00 54.41 ATOM 1022 HG1 GLN 62 12.065 -34.385 -2.002 1.00 37.92 ATOM 1023 HG2 GLN 62 13.778 -34.160 -2.293 1.00 61.23 ATOM 1024 CD GLN 62 12.884 -35.607 -3.546 1.00 52.24 ATOM 1025 OE1 GLN 62 12.696 -35.625 -4.763 1.00 41.03 ATOM 1026 NE2 GLN 62 13.151 -36.703 -2.847 1.00 63.41 ATOM 1027 HE21 GLN 62 13.292 -36.630 -1.876 1.00 63.33 ATOM 1028 HE22 GLN 62 13.197 -37.553 -3.332 1.00 14.15 ATOM 1029 C GLN 62 10.238 -34.056 -3.622 1.00 41.23 ATOM 1030 O GLN 62 9.776 -33.689 -2.542 1.00 54.20 ATOM 1031 N VAL 63 9.929 -35.221 -4.183 1.00 3.12 ATOM 1032 HN VAL 63 10.323 -35.457 -5.056 1.00 37.92 ATOM 1033 CA VAL 63 9.010 -36.156 -3.546 1.00 12.14 ATOM 1034 HA VAL 63 8.041 -35.703 -3.536 1.00 64.20 ATOM 1035 CB VAL 63 8.924 -37.480 -4.328 1.00 1.11 ATOM 1036 HB VAL 63 8.639 -37.256 -5.346 1.00 51.23 ATOM 1037 CG1 VAL 63 10.278 -38.173 -4.355 1.00 50.20 ATOM 1038 HG11 VAL 63 10.510 -38.589 -3.385 1.00 73.52 ATOM 1039 HG12 VAL 63 11.052 -37.475 -4.640 1.00 61.14 ATOM 1040 HG13 VAL 63 10.246 -38.973 -5.079 1.00 21.44 ATOM 1041 CG2 VAL 63 7.863 -38.388 -3.724 1.00 5.44 ATOM 1042 HG21 VAL 63 7.970 -39.383 -4.111 1.00 62.32 ATOM 1043 HG22 VAL 63 6.886 -38.011 -3.969 1.00 4.30 ATOM 1044 HG23 VAL 63 7.961 -38.429 -2.649 1.00 33.43 ATOM 1045 C VAL 63 9.433 -36.452 -2.111 1.00 64.14 ATOM 1046 O VAL 63 10.593 -36.774 -1.849 1.00 30.03 ATOM 1047 N LEU 64 8.487 -36.342 -1.186 1.00 54.12 ATOM 1048 HN LEU 64 7.572 -36.091 -1.458 1.00 37.92 ATOM 1049 CA LEU 64 8.761 -36.599 0.223 1.00 12.45 ATOM 1050 HA LEU 64 9.677 -36.083 0.469 1.00 0.04 ATOM 1051 CB LEU 64 7.627 -36.051 1.092 1.00 51.01 ATOM 1052 HB1 LEU 64 6.757 -36.685 0.963 1.00 37.92 ATOM 1053 HB2 LEU 64 7.378 -35.063 0.723 1.00 4.24 ATOM 1054 CG LEU 64 7.922 -35.937 2.588 1.00 61.31 ATOM 1055 HG LEU 64 8.108 -36.924 2.983 1.00 41.20 ATOM 1056 CD1 LEU 64 9.166 -35.095 2.824 1.00 24.40 ATOM 1057 HD11 LEU 64 9.067 -34.142 2.321 1.00 34.12 ATOM 1058 HD12 LEU 64 10.033 -35.613 2.448 1.00 53.40 ATOM 1059 HD13 LEU 64 9.295 -34.925 3.885 1.00 43.31 ATOM 1060 CD2 LEU 64 6.728 -35.346 3.324 1.00 64.04 ATOM 1061 HD21 LEU 64 6.962 -35.228 4.371 1.00 3.12 ATOM 1062 HD22 LEU 64 5.879 -36.006 3.221 1.00 62.50 ATOM 1063 HD23 LEU 64 6.483 -34.380 2.903 1.00 75.11 ATOM 1064 C LEU 64 8.938 -38.092 0.481 1.00 50.44 ATOM 1065 O LEU 64 7.970 -38.853 0.471 1.00 42.45 ATOM 1066 N ASP 65 10.179 -38.503 0.713 1.00 65.32 ATOM 1067 HN ASP 65 10.901 -37.833 0.744 1.00 37.92 ATOM 1068 CA ASP 65 10.484 -39.905 0.976 1.00 35.03 ATOM 1069 HA ASP 65 10.136 -40.488 0.131 1.00 44.32 ATOM 1070 CB ASP 65 11.994 -40.104 1.114 1.00 33.31 ATOM 1071 HB1 ASP 65 12.221 -41.152 1.021 1.00 37.92 ATOM 1072 HB2 ASP 65 12.321 -39.748 2.078 1.00 30.21 ATOM 1073 CG ASP 65 12.776 -39.348 0.058 1.00 21.24 ATOM 1074 OD1 ASP 65 13.928 -38.957 0.341 1.00 54.41 ATOM 1075 OD2 ASP 65 12.237 -39.147 -1.050 1.00 74.31 ATOM 1076 C ASP 65 9.777 -40.386 2.240 1.00 61.11 ATOM 1077 O ASP 65 10.279 -40.209 3.351 1.00 42.44 ATOM 1078 N LEU 66 8.609 -40.994 2.063 1.00 24.54 ATOM 1079 HN LEU 66 8.257 -41.105 1.147 1.00 37.92 ATOM 1080 CA LEU 66 7.833 -41.501 3.190 1.00 55.33 ATOM 1081 HA LEU 66 7.590 -40.671 3.833 1.00 32.12 ATOM 1082 CB LEU 66 6.543 -42.156 2.692 1.00 62.13 ATOM 1083 HB1 LEU 66 6.049 -42.617 3.541 1.00 37.92 ATOM 1084 HB2 LEU 66 6.812 -42.934 1.991 1.00 51.32 ATOM 1085 CG LEU 66 5.539 -41.228 2.008 1.00 12.53 ATOM 1086 HG LEU 66 5.964 -40.869 1.082 1.00 63.31 ATOM 1087 CD1 LEU 66 4.258 -41.978 1.678 1.00 52.53 ATOM 1088 HD11 LEU 66 3.803 -42.344 2.589 1.00 53.24 ATOM 1089 HD12 LEU 66 4.484 -42.813 1.030 1.00 71.41 ATOM 1090 HD13 LEU 66 3.568 -41.315 1.174 1.00 55.43 ATOM 1091 CD2 LEU 66 5.241 -40.023 2.889 1.00 4.31 ATOM 1092 HD21 LEU 66 4.937 -40.352 3.874 1.00 11.22 ATOM 1093 HD22 LEU 66 4.444 -39.437 2.448 1.00 24.31 ATOM 1094 HD23 LEU 66 6.121 -39.405 2.972 1.00 22.54 ATOM 1095 C LEU 66 8.644 -42.503 4.004 1.00 0.35 ATOM 1096 O LEU 66 8.659 -42.452 5.235 1.00 54.45 ATOM 1097 N PHE 67 9.320 -43.412 3.310 1.00 21.35 ATOM 1098 HN PHE 67 9.262 -43.412 2.325 1.00 37.92 ATOM 1099 CA PHE 67 10.136 -44.426 3.969 1.00 14.14 ATOM 1100 HA PHE 67 9.479 -45.041 4.568 1.00 11.44 ATOM 1101 CB PHE 67 10.835 -45.304 2.929 1.00 12.33 ATOM 1102 HB1 PHE 67 11.629 -44.739 2.453 1.00 37.92 ATOM 1103 HB2 PHE 67 10.113 -45.585 2.172 1.00 23.33 ATOM 1104 CG PHE 67 11.433 -46.555 3.506 1.00 74.23 ATOM 1105 CD1 PHE 67 10.884 -47.795 3.221 1.00 21.42 ATOM 1106 HD1 PHE 67 10.019 -47.858 2.576 1.00 24.53 ATOM 1107 CD2 PHE 67 12.543 -46.492 4.331 1.00 4.44 ATOM 1108 HD2 PHE 67 12.995 -45.541 4.557 1.00 75.20 ATOM 1109 CE1 PHE 67 11.432 -48.948 3.751 1.00 71.41 ATOM 1110 HE1 PHE 67 11.010 -49.909 3.518 1.00 35.02 ATOM 1111 CE2 PHE 67 13.096 -47.641 4.864 1.00 71.42 ATOM 1112 HE2 PHE 67 13.963 -47.578 5.504 1.00 21.34 ATOM 1113 CZ PHE 67 12.540 -48.871 4.572 1.00 32.52 ATOM 1114 HZ PHE 67 12.969 -49.771 4.987 1.00 4.25 ATOM 1115 C PHE 67 11.171 -43.780 4.885 1.00 3.21 ATOM 1116 O PHE 67 11.303 -44.152 6.050 1.00 21.45 ATOM 1117 N MET 68 11.904 -42.810 4.348 1.00 40.10 ATOM 1118 HN MET 68 11.727 -42.538 3.418 1.00 37.92 ATOM 1119 CA MET 68 12.928 -42.111 5.116 1.00 32.25 ATOM 1120 HA MET 68 13.588 -42.846 5.553 1.00 33.12 ATOM 1121 CB MET 68 13.735 -41.184 4.206 1.00 11.41 ATOM 1122 HB1 MET 68 14.542 -40.739 4.765 1.00 37.92 ATOM 1123 HB2 MET 68 13.076 -40.407 3.861 1.00 54.55 ATOM 1124 CG MET 68 14.303 -41.879 2.980 1.00 60.22 ATOM 1125 HG1 MET 68 14.910 -41.172 2.433 1.00 37.92 ATOM 1126 HG2 MET 68 13.493 -42.211 2.355 1.00 34.31 ATOM 1127 SD MET 68 15.322 -43.306 3.400 1.00 35.43 ATOM 1128 CE MET 68 16.366 -42.612 4.679 1.00 61.02 ATOM 1129 HE1 MET 68 16.780 -41.675 4.337 1.00 61.41 ATOM 1130 HE2 MET 68 17.169 -43.300 4.900 1.00 44.12 ATOM 1131 HE3 MET 68 15.781 -42.444 5.571 1.00 42.40 ATOM 1132 C MET 68 12.302 -41.309 6.253 1.00 73.11 ATOM 1133 O MET 68 12.753 -41.378 7.397 1.00 34.51 ATOM 1134 N LEU 69 11.262 -40.548 5.931 1.00 75.22 ATOM 1135 HN LEU 69 10.955 -40.529 4.996 1.00 37.92 ATOM 1136 CA LEU 69 10.573 -39.732 6.925 1.00 24.22 ATOM 1137 HA LEU 69 11.268 -38.984 7.269 1.00 51.35 ATOM 1138 CB LEU 69 9.347 -39.062 6.304 1.00 72.25 ATOM 1139 HB1 LEU 69 8.463 -39.627 6.580 1.00 37.92 ATOM 1140 HB2 LEU 69 9.434 -39.102 5.230 1.00 51.13 ATOM 1141 CG LEU 69 9.112 -37.602 6.690 1.00 14.41 ATOM 1142 HG LEU 69 9.089 -37.521 7.767 1.00 22.32 ATOM 1143 CD1 LEU 69 10.244 -36.725 6.178 1.00 54.14 ATOM 1144 HD11 LEU 69 10.115 -35.721 6.558 1.00 61.23 ATOM 1145 HD12 LEU 69 10.211 -36.700 5.103 1.00 11.42 ATOM 1146 HD13 LEU 69 11.200 -37.105 6.502 1.00 63.32 ATOM 1147 CD2 LEU 69 7.773 -37.116 6.152 1.00 23.43 ATOM 1148 HD21 LEU 69 7.590 -36.106 6.490 1.00 62.01 ATOM 1149 HD22 LEU 69 6.980 -37.755 6.494 1.00 50.41 ATOM 1150 HD23 LEU 69 7.794 -37.134 5.078 1.00 24.23 ATOM 1151 C LEU 69 10.153 -40.575 8.125 1.00 23.10 ATOM 1152 O LEU 69 10.362 -40.185 9.274 1.00 15.11 ATOM 1153 N TYR 70 9.563 -41.733 7.850 1.00 0.13 ATOM 1154 HN TYR 70 9.421 -41.993 6.908 1.00 37.92 ATOM 1155 CA TYR 70 9.113 -42.631 8.907 1.00 25.31 ATOM 1156 HA TYR 70 8.472 -42.081 9.575 1.00 12.23 ATOM 1157 CB TYR 70 8.319 -43.795 8.312 1.00 21.21 ATOM 1158 HB1 TYR 70 8.931 -44.286 7.566 1.00 37.92 ATOM 1159 HB2 TYR 70 7.435 -43.417 7.833 1.00 75.02 ATOM 1160 CG TYR 70 7.903 -44.829 9.334 1.00 72.12 ATOM 1161 CD1 TYR 70 6.666 -44.754 9.963 1.00 2.31 ATOM 1162 HD1 TYR 70 5.995 -43.943 9.715 1.00 12.54 ATOM 1163 CD2 TYR 70 8.746 -45.881 9.671 1.00 40.33 ATOM 1164 HD2 TYR 70 9.713 -45.958 9.193 1.00 63.35 ATOM 1165 CE1 TYR 70 6.282 -45.696 10.898 1.00 52.42 ATOM 1166 HE1 TYR 70 5.317 -45.624 11.370 1.00 24.33 ATOM 1167 CE2 TYR 70 8.369 -46.828 10.603 1.00 43.20 ATOM 1168 HE2 TYR 70 9.039 -47.638 10.850 1.00 33.30 ATOM 1169 CZ TYR 70 7.137 -46.731 11.214 1.00 55.11 ATOM 1170 OH TYR 70 6.758 -47.672 12.144 1.00 2.32 ATOM 1171 HH TYR 70 7.246 -47.538 12.963 1.00 30.51 ATOM 1172 C TYR 70 10.297 -43.165 9.708 1.00 30.51 ATOM 1173 O TYR 70 10.331 -43.058 10.934 1.00 21.50 ATOM 1174 N VAL 71 11.267 -43.741 9.005 1.00 23.22 ATOM 1175 HN VAL 71 11.189 -43.773 8.023 1.00 37.92 ATOM 1176 CA VAL 71 12.454 -44.291 9.649 1.00 64.14 ATOM 1177 HA VAL 71 12.146 -45.121 10.271 1.00 63.24 ATOM 1178 CB VAL 71 13.462 -44.819 8.610 1.00 3.52 ATOM 1179 HB VAL 71 13.737 -44.004 7.954 1.00 13.22 ATOM 1180 CG1 VAL 71 14.723 -45.321 9.297 1.00 60.32 ATOM 1181 HG11 VAL 71 15.348 -45.838 8.579 1.00 41.43 ATOM 1182 HG12 VAL 71 14.463 -46.003 10.095 1.00 4.33 ATOM 1183 HG13 VAL 71 15.278 -44.488 9.702 1.00 13.34 ATOM 1184 CG2 VAL 71 12.832 -45.915 7.766 1.00 73.44 ATOM 1185 HG21 VAL 71 11.787 -45.731 7.594 1.00 53.40 ATOM 1186 HG22 VAL 71 12.938 -46.873 8.259 1.00 51.13 ATOM 1187 HG23 VAL 71 13.346 -45.943 6.829 1.00 14.25 ATOM 1188 C VAL 71 13.140 -43.246 10.521 1.00 25.13 ATOM 1189 O VAL 71 13.614 -43.550 11.617 1.00 63.31 ATOM 1190 N LEU 72 13.190 -42.013 10.029 1.00 21.15 ATOM 1191 HN LEU 72 12.798 -41.828 9.145 1.00 37.92 ATOM 1192 CA LEU 72 13.818 -40.921 10.765 1.00 41.22 ATOM 1193 HA LEU 72 14.777 -41.268 11.115 1.00 62.52 ATOM 1194 CB LEU 72 14.002 -39.706 9.854 1.00 64.14 ATOM 1195 HB1 LEU 72 13.904 -38.818 10.444 1.00 37.92 ATOM 1196 HB2 LEU 72 13.214 -39.696 9.116 1.00 51.02 ATOM 1197 CG LEU 72 15.344 -39.610 9.126 1.00 73.32 ATOM 1198 HG LEU 72 15.357 -38.711 8.527 1.00 25.34 ATOM 1199 CD1 LEU 72 16.488 -39.526 10.124 1.00 11.11 ATOM 1200 HD11 LEU 72 17.411 -39.343 9.593 1.00 75.32 ATOM 1201 HD12 LEU 72 16.574 -40.451 10.673 1.00 32.43 ATOM 1202 HD13 LEU 72 16.312 -38.713 10.815 1.00 23.30 ATOM 1203 CD2 LEU 72 15.532 -40.800 8.195 1.00 12.25 ATOM 1204 HD21 LEU 72 15.370 -41.728 8.722 1.00 61.41 ATOM 1205 HD22 LEU 72 16.540 -40.793 7.799 1.00 21.34 ATOM 1206 HD23 LEU 72 14.845 -40.722 7.376 1.00 22.23 ATOM 1207 C LEU 72 12.986 -40.535 11.983 1.00 35.23 ATOM 1208 O LEU 72 13.472 -40.559 13.114 1.00 44.12 ATOM 1209 N VAL 73 11.726 -40.182 11.746 1.00 43.25 ATOM 1210 HN VAL 73 11.392 -40.195 10.819 1.00 37.92 ATOM 1211 CA VAL 73 10.824 -39.794 12.824 1.00 64.44 ATOM 1212 HA VAL 73 11.184 -38.864 13.245 1.00 12.35 ATOM 1213 CB VAL 73 9.391 -39.576 12.305 1.00 52.43 ATOM 1214 HB VAL 73 9.077 -40.469 11.785 1.00 61.34 ATOM 1215 CG1 VAL 73 8.434 -39.337 13.463 1.00 60.51 ATOM 1216 HG11 VAL 73 8.219 -40.275 13.953 1.00 33.34 ATOM 1217 HG12 VAL 73 7.506 -38.921 13.093 1.00 3.42 ATOM 1218 HG13 VAL 73 8.863 -38.658 14.173 1.00 62.10 ATOM 1219 CG2 VAL 73 9.352 -38.414 11.323 1.00 74.54 ATOM 1220 HG21 VAL 73 10.190 -38.449 10.650 1.00 24.31 ATOM 1221 HG22 VAL 73 9.386 -37.478 11.865 1.00 44.51 ATOM 1222 HG23 VAL 73 8.440 -38.457 10.755 1.00 13.31 ATOM 1223 C VAL 73 10.799 -40.849 13.925 1.00 43.54 ATOM 1224 O VAL 73 10.714 -40.524 15.110 1.00 45.35 ATOM 1225 N THR 74 10.874 -42.115 13.526 1.00 1.31 ATOM 1226 HN THR 74 10.931 -42.320 12.565 1.00 37.92 ATOM 1227 CA THR 74 10.859 -43.218 14.478 1.00 3.24 ATOM 1228 HA THR 74 10.046 -43.057 15.179 1.00 13.24 ATOM 1229 CB THR 74 10.630 -44.567 13.772 1.00 71.14 ATOM 1230 HB THR 74 10.777 -45.371 14.483 1.00 41.14 ATOM 1231 OG1 THR 74 11.562 -44.721 12.696 1.00 63.41 ATOM 1232 HG1 THR 74 11.192 -44.353 11.909 1.00 14.32 ATOM 1233 CG2 THR 74 9.209 -44.663 13.236 1.00 43.42 ATOM 1234 HG21 THR 74 8.522 -44.557 14.057 1.00 72.12 ATOM 1235 HG22 THR 74 9.072 -45.622 12.785 1.00 3.33 ATOM 1236 HG23 THR 74 9.025 -43.889 12.516 1.00 21.31 ATOM 1237 C THR 74 12.164 -43.284 15.264 1.00 43.24 ATOM 1238 O THR 74 12.158 -43.315 16.494 1.00 74.44 ATOM 1239 N GLU 75 13.282 -43.304 14.544 1.00 1.33 ATOM 1240 HN GLU 75 13.221 -43.274 13.559 1.00 37.92 ATOM 1241 CA GLU 75 14.595 -43.366 15.176 1.00 70.12 ATOM 1242 HA GLU 75 14.647 -44.278 15.754 1.00 3.12 ATOM 1243 CB GLU 75 15.696 -43.393 14.113 1.00 33.53 ATOM 1244 HB1 GLU 75 15.305 -43.827 13.209 1.00 37.92 ATOM 1245 HB2 GLU 75 16.498 -44.028 14.462 1.00 31.23 ATOM 1246 CG GLU 75 16.248 -42.019 13.774 1.00 64.41 ATOM 1247 HG1 GLU 75 15.488 -41.268 13.841 1.00 37.92 ATOM 1248 HG2 GLU 75 16.606 -42.052 12.756 1.00 44.45 ATOM 1249 CD GLU 75 17.416 -41.625 14.658 1.00 34.42 ATOM 1250 OE1 GLU 75 17.961 -40.519 14.461 1.00 24.41 ATOM 1251 OE2 GLU 75 17.783 -42.422 15.546 1.00 22.24 ATOM 1252 C GLU 75 14.806 -42.179 16.112 1.00 74.25 ATOM 1253 O GLU 75 15.634 -42.230 17.021 1.00 51.10 ATOM 1254 N LYS 76 14.050 -41.111 15.881 1.00 1.34 ATOM 1255 HN LYS 76 13.442 -41.091 15.111 1.00 37.92 ATOM 1256 CA LYS 76 14.152 -39.910 16.702 1.00 35.15 ATOM 1257 HA LYS 76 15.191 -39.762 16.966 1.00 24.52 ATOM 1258 CB LYS 76 13.644 -38.692 15.927 1.00 64.44 ATOM 1259 HB1 LYS 76 13.466 -37.872 16.614 1.00 37.92 ATOM 1260 HB2 LYS 76 12.712 -38.949 15.445 1.00 62.41 ATOM 1261 CG LYS 76 14.609 -38.207 14.859 1.00 41.43 ATOM 1262 HG1 LYS 76 14.153 -37.378 14.348 1.00 37.92 ATOM 1263 HG2 LYS 76 14.799 -39.004 14.163 1.00 1.11 ATOM 1264 CD LYS 76 15.932 -37.765 15.462 1.00 41.05 ATOM 1265 HD1 LYS 76 16.571 -38.633 15.543 1.00 37.92 ATOM 1266 HD2 LYS 76 15.782 -37.357 16.445 1.00 2.11 ATOM 1267 CE LYS 76 16.627 -36.733 14.586 1.00 34.12 ATOM 1268 HE1 LYS 76 17.230 -36.102 15.220 1.00 37.92 ATOM 1269 HE2 LYS 76 15.896 -36.122 14.074 1.00 1.41 ATOM 1270 NZ LYS 76 17.520 -37.371 13.580 1.00 40.43 ATOM 1271 HZ1 LYS 76 16.960 -37.942 12.914 1.00 10.35 ATOM 1272 HZ2 LYS 76 18.214 -37.989 14.050 1.00 33.04 ATOM 1273 HZ3 LYS 76 18.034 -36.646 13.048 1.00 42.31 ATOM 1274 C LYS 76 13.360 -40.067 17.997 1.00 74.44 ATOM 1275 O LYS 76 13.635 -39.396 18.990 1.00 41.11 ATOM 1276 N GLY 77 12.375 -40.961 17.978 1.00 52.32 ATOM 1277 HN GLY 77 12.187 -41.472 17.170 1.00 37.92 ATOM 1278 CA GLY 77 11.559 -41.191 19.156 1.00 4.31 ATOM 1279 HA1 GLY 77 11.701 -40.396 19.879 1.00 37.92 ATOM 1280 HA2 GLY 77 11.864 -42.123 19.608 1.00 14.03 ATOM 1281 C GLY 77 10.081 -41.277 18.831 1.00 44.44 ATOM 1282 O GLY 77 9.290 -41.773 19.631 1.00 62.40 ATOM 1283 N GLY 78 9.707 -40.789 17.651 1.00 22.34 ATOM 1284 HN GLY 78 10.362 -40.383 17.044 1.00 37.92 ATOM 1285 CA GLY 78 8.315 -40.821 17.244 1.00 72.14 ATOM 1286 HA1 GLY 78 7.684 -41.157 18.058 1.00 37.92 ATOM 1287 HA2 GLY 78 8.216 -41.518 16.425 1.00 32.33 ATOM 1288 C GLY 78 7.814 -39.466 16.783 1.00 24.40 ATOM 1289 O GLY 78 8.456 -38.443 17.027 1.00 72.51 ATOM 1290 N LEU 79 6.667 -39.458 16.114 1.00 51.31 ATOM 1291 HN LEU 79 6.201 -40.313 15.946 1.00 37.92 ATOM 1292 CA LEU 79 6.081 -38.218 15.616 1.00 70.01 ATOM 1293 HA LEU 79 6.728 -37.827 14.850 1.00 20.44 ATOM 1294 CB LEU 79 4.700 -38.488 15.016 1.00 31.34 ATOM 1295 HB1 LEU 79 4.101 -38.982 15.769 1.00 37.92 ATOM 1296 HB2 LEU 79 4.833 -39.169 14.192 1.00 51.22 ATOM 1297 CG LEU 79 3.931 -37.263 14.522 1.00 43.53 ATOM 1298 HG LEU 79 3.679 -36.638 15.365 1.00 10.32 ATOM 1299 CD1 LEU 79 4.788 -36.445 13.568 1.00 52.43 ATOM 1300 HD11 LEU 79 5.499 -35.870 14.143 1.00 2.23 ATOM 1301 HD12 LEU 79 4.170 -35.767 12.994 1.00 2.43 ATOM 1302 HD13 LEU 79 5.326 -37.093 12.898 1.00 23.51 ATOM 1303 CD2 LEU 79 2.633 -37.683 13.849 1.00 51.04 ATOM 1304 HD21 LEU 79 2.838 -38.257 12.967 1.00 0.13 ATOM 1305 HD22 LEU 79 2.070 -36.802 13.576 1.00 53.44 ATOM 1306 HD23 LEU 79 2.045 -38.278 14.535 1.00 51.54 ATOM 1307 C LEU 79 5.970 -37.182 16.730 1.00 64.00 ATOM 1308 O LEU 79 6.466 -36.062 16.602 1.00 31.33 ATOM 1309 N VAL 80 5.319 -37.564 17.824 1.00 52.02 ATOM 1310 HN VAL 80 4.991 -38.488 17.872 1.00 37.92 ATOM 1311 CA VAL 80 5.146 -36.670 18.962 1.00 1.43 ATOM 1312 HA VAL 80 4.551 -35.827 18.634 1.00 2.15 ATOM 1313 CB VAL 80 4.406 -37.369 20.118 1.00 53.31 ATOM 1314 HB VAL 80 5.048 -38.139 20.528 1.00 31.55 ATOM 1315 CG1 VAL 80 4.088 -36.377 21.226 1.00 11.33 ATOM 1316 HG11 VAL 80 3.897 -35.407 20.808 1.00 32.24 ATOM 1317 HG12 VAL 80 4.932 -36.323 21.891 1.00 30.34 ATOM 1318 HG13 VAL 80 3.221 -36.704 21.789 1.00 11.11 ATOM 1319 CG2 VAL 80 3.137 -38.038 19.610 1.00 4.22 ATOM 1320 HG21 VAL 80 3.383 -38.829 18.923 1.00 55.12 ATOM 1321 HG22 VAL 80 2.527 -37.315 19.118 1.00 14.22 ATOM 1322 HG23 VAL 80 2.590 -38.454 20.438 1.00 12.42 ATOM 1323 C VAL 80 6.490 -36.159 19.469 1.00 23.42 ATOM 1324 O VAL 80 6.686 -34.956 19.632 1.00 45.41 ATOM 1325 N GLU 81 7.413 -37.084 19.717 1.00 50.14 ATOM 1326 HN GLU 81 7.194 -38.036 19.570 1.00 37.92 ATOM 1327 CA GLU 81 8.739 -36.727 20.206 1.00 44.33 ATOM 1328 HA GLU 81 8.623 -36.299 21.193 1.00 51.40 ATOM 1329 CB GLU 81 9.624 -37.971 20.301 1.00 23.23 ATOM 1330 HB1 GLU 81 9.862 -38.312 19.301 1.00 37.92 ATOM 1331 HB2 GLU 81 9.068 -38.753 20.802 1.00 60.13 ATOM 1332 CG GLU 81 10.930 -37.734 21.042 1.00 72.42 ATOM 1333 HG1 GLU 81 11.169 -36.683 21.045 1.00 37.92 ATOM 1334 HG2 GLU 81 11.714 -38.271 20.530 1.00 4.24 ATOM 1335 CD GLU 81 10.881 -38.214 22.479 1.00 34.43 ATOM 1336 OE1 GLU 81 9.966 -37.791 23.216 1.00 54.11 ATOM 1337 OE2 GLU 81 11.758 -39.014 22.867 1.00 32.43 ATOM 1338 C GLU 81 9.395 -35.692 19.295 1.00 34.11 ATOM 1339 O GLU 81 10.100 -34.797 19.761 1.00 52.24 ATOM 1340 N VAL 82 9.157 -35.822 17.994 1.00 74.52 ATOM 1341 HN VAL 82 8.593 -36.564 17.672 1.00 37.92 ATOM 1342 CA VAL 82 9.722 -34.900 17.017 1.00 43.30 ATOM 1343 HA VAL 82 10.770 -34.792 17.233 1.00 62.04 ATOM 1344 CB VAL 82 9.571 -35.439 15.582 1.00 12.21 ATOM 1345 HB VAL 82 8.523 -35.603 15.384 1.00 35.33 ATOM 1346 CG1 VAL 82 10.089 -34.425 14.573 1.00 34.22 ATOM 1347 HG11 VAL 82 9.405 -34.394 13.740 1.00 23.32 ATOM 1348 HG12 VAL 82 11.060 -34.725 14.204 1.00 0.21 ATOM 1349 HG13 VAL 82 10.173 -33.435 14.990 1.00 71.42 ATOM 1350 CG2 VAL 82 10.295 -36.769 15.434 1.00 53.51 ATOM 1351 HG21 VAL 82 9.903 -37.480 16.122 1.00 5.34 ATOM 1352 HG22 VAL 82 11.347 -36.632 15.633 1.00 20.23 ATOM 1353 HG23 VAL 82 10.173 -37.135 14.427 1.00 23.35 ATOM 1354 C VAL 82 9.059 -33.530 17.106 1.00 33.12 ATOM 1355 O VAL 82 9.734 -32.510 17.245 1.00 1.14 ATOM 1356 N ILE 83 7.733 -33.515 17.026 1.00 75.02 ATOM 1357 HN ILE 83 7.253 -34.371 16.947 1.00 37.92 ATOM 1358 CA ILE 83 6.977 -32.270 17.099 1.00 24.52 ATOM 1359 HA ILE 83 7.231 -31.673 16.232 1.00 65.44 ATOM 1360 CB ILE 83 5.460 -32.531 17.083 1.00 34.24 ATOM 1361 HB ILE 83 5.213 -33.136 17.947 1.00 32.21 ATOM 1362 CG1 ILE 83 5.062 -33.282 15.811 1.00 43.02 ATOM 1363 HG11 ILE 83 5.772 -34.057 15.592 1.00 37.92 ATOM 1364 HG12 ILE 83 5.050 -32.595 14.983 1.00 60.12 ATOM 1365 CG2 ILE 83 4.696 -31.220 17.192 1.00 52.14 ATOM 1366 HG21 ILE 83 5.037 -30.532 16.430 1.00 24.30 ATOM 1367 HG22 ILE 83 4.849 -30.782 18.166 1.00 4.33 ATOM 1368 HG23 ILE 83 3.639 -31.399 17.058 1.00 1.55 ATOM 1369 CD1 ILE 83 3.701 -33.937 15.896 1.00 64.03 ATOM 1370 HD11 ILE 83 3.430 -34.339 14.933 1.00 24.41 ATOM 1371 HD12 ILE 83 2.962 -33.221 16.210 1.00 15.33 ATOM 1372 HD13 ILE 83 3.741 -34.742 16.615 1.00 13.22 ATOM 1373 C ILE 83 7.334 -31.485 18.356 1.00 12.45 ATOM 1374 O ILE 83 7.345 -30.254 18.349 1.00 30.53 ATOM 1375 N ASN 84 7.626 -32.205 19.435 1.00 43.53 ATOM 1376 HN ASN 84 7.589 -33.189 19.394 1.00 37.92 ATOM 1377 CA ASN 84 7.985 -31.575 20.700 1.00 11.52 ATOM 1378 HA ASN 84 7.398 -30.670 20.815 1.00 23.41 ATOM 1379 CB ASN 84 7.673 -32.513 21.868 1.00 72.15 ATOM 1380 HB1 ASN 84 8.011 -32.061 22.792 1.00 37.92 ATOM 1381 HB2 ASN 84 8.198 -33.446 21.718 1.00 72.10 ATOM 1382 CG ASN 84 6.189 -32.800 21.998 1.00 44.10 ATOM 1383 OD1 ASN 84 5.356 -31.911 21.823 1.00 41.21 ATOM 1384 ND2 ASN 84 5.853 -34.047 22.307 1.00 0.22 ATOM 1385 HD21 ASN 84 6.558 -34.723 22.426 1.00 15.22 ATOM 1386 HD22 ASN 84 4.904 -34.231 22.440 1.00 32.12 ATOM 1387 C ASN 84 9.463 -31.195 20.719 1.00 15.14 ATOM 1388 O ASN 84 9.831 -30.110 21.170 1.00 54.35 ATOM 1389 N LYS 85 10.306 -32.096 20.227 1.00 33.22 ATOM 1390 HN LYS 85 9.956 -32.952 19.885 1.00 37.92 ATOM 1391 CA LYS 85 11.743 -31.857 20.185 1.00 4.02 ATOM 1392 HA LYS 85 12.066 -31.554 21.173 1.00 40.14 ATOM 1393 CB LYS 85 12.482 -33.135 19.784 1.00 64.54 ATOM 1394 HB1 LYS 85 13.459 -32.877 19.389 1.00 37.92 ATOM 1395 HB2 LYS 85 11.925 -33.626 19.005 1.00 53.32 ATOM 1396 CG LYS 85 12.665 -34.117 20.928 1.00 61.30 ATOM 1397 HG1 LYS 85 12.450 -35.105 20.557 1.00 37.92 ATOM 1398 HG2 LYS 85 11.984 -33.888 21.736 1.00 22.24 ATOM 1399 CD LYS 85 14.092 -34.106 21.450 1.00 62.33 ATOM 1400 HD1 LYS 85 14.770 -34.332 20.639 1.00 37.92 ATOM 1401 HD2 LYS 85 14.187 -34.858 22.219 1.00 22.51 ATOM 1402 CE LYS 85 14.459 -32.754 22.041 1.00 11.22 ATOM 1403 HE1 LYS 85 14.270 -31.971 21.322 1.00 37.92 ATOM 1404 HE2 LYS 85 15.513 -32.764 22.279 1.00 15.14 ATOM 1405 NZ LYS 85 13.697 -32.469 23.288 1.00 13.24 ATOM 1406 HZ1 LYS 85 12.681 -32.394 23.087 1.00 42.55 ATOM 1407 HZ2 LYS 85 14.019 -31.571 23.700 1.00 3.31 ATOM 1408 HZ3 LYS 85 13.847 -33.227 23.988 1.00 4.14 ATOM 1409 C LYS 85 12.080 -30.735 19.209 1.00 52.45 ATOM 1410 O LYS 85 13.178 -30.179 19.240 1.00 51.33 ATOM 1411 N LYS 86 11.128 -30.405 18.343 1.00 54.15 ATOM 1412 HN LYS 86 10.290 -30.905 18.302 1.00 37.92 ATOM 1413 CA LYS 86 11.321 -29.347 17.358 1.00 0.11 ATOM 1414 HA LYS 86 10.478 -29.363 16.684 1.00 34.44 ATOM 1415 CB LYS 86 11.379 -27.983 18.050 1.00 41.14 ATOM 1416 HB1 LYS 86 11.495 -27.208 17.303 1.00 37.92 ATOM 1417 HB2 LYS 86 12.243 -27.963 18.702 1.00 62.11 ATOM 1418 CG LYS 86 10.157 -27.679 18.900 1.00 64.45 ATOM 1419 HG1 LYS 86 10.466 -27.023 19.701 1.00 37.92 ATOM 1420 HG2 LYS 86 9.765 -28.590 19.323 1.00 51.10 ATOM 1421 CD LYS 86 9.061 -27.016 18.083 1.00 31.10 ATOM 1422 HD1 LYS 86 8.240 -27.712 17.986 1.00 37.92 ATOM 1423 HD2 LYS 86 9.423 -26.759 17.095 1.00 14.13 ATOM 1424 CE LYS 86 8.544 -25.757 18.762 1.00 21.24 ATOM 1425 HE1 LYS 86 8.731 -25.800 19.827 1.00 37.92 ATOM 1426 HE2 LYS 86 7.484 -25.689 18.599 1.00 74.20 ATOM 1427 NZ LYS 86 9.179 -24.529 18.210 1.00 0.53 ATOM 1428 HZ1 LYS 86 8.804 -23.688 18.694 1.00 0.41 ATOM 1429 HZ2 LYS 86 8.979 -24.443 17.192 1.00 21.13 ATOM 1430 HZ3 LYS 86 10.211 -24.561 18.348 1.00 62.42 ATOM 1431 C LYS 86 12.598 -29.577 16.556 1.00 10.31 ATOM 1432 O LYS 86 13.218 -28.629 16.071 1.00 20.15 ATOM 1433 N LEU 87 12.985 -30.840 16.418 1.00 2.04 ATOM 1434 HN LEU 87 12.428 -31.550 16.773 1.00 37.92 ATOM 1435 CA LEU 87 14.188 -31.195 15.673 1.00 2.41 ATOM 1436 HA LEU 87 14.871 -30.353 15.683 1.00 62.25 ATOM 1437 CB LEU 87 14.887 -32.386 16.331 1.00 53.02 ATOM 1438 HB1 LEU 87 14.779 -32.290 17.405 1.00 37.92 ATOM 1439 HB2 LEU 87 15.939 -32.325 16.091 1.00 51.25 ATOM 1440 CG LEU 87 14.387 -33.770 15.915 1.00 31.14 ATOM 1441 HG LEU 87 14.655 -33.969 14.892 1.00 2.43 ATOM 1442 CD1 LEU 87 15.047 -34.851 16.757 1.00 4.10 ATOM 1443 HD11 LEU 87 14.589 -35.797 16.540 1.00 3.42 ATOM 1444 HD12 LEU 87 14.912 -34.628 17.808 1.00 23.40 ATOM 1445 HD13 LEU 87 16.099 -34.892 16.534 1.00 14.30 ATOM 1446 CD2 LEU 87 12.872 -33.849 16.036 1.00 10.55 ATOM 1447 HD21 LEU 87 12.396 -33.174 15.353 1.00 0.51 ATOM 1448 HD22 LEU 87 12.579 -33.608 17.041 1.00 62.24 ATOM 1449 HD23 LEU 87 12.550 -34.855 15.811 1.00 43.02 ATOM 1450 C LEU 87 13.852 -31.525 14.222 1.00 4.23 ATOM 1451 O LEU 87 14.622 -32.195 13.534 1.00 32.42 ATOM 1452 N TRP 88 12.701 -31.048 13.764 1.00 12.11 ATOM 1453 HN TRP 88 12.117 -30.524 14.340 1.00 37.92 ATOM 1454 CA TRP 88 12.264 -31.291 12.394 1.00 43.23 ATOM 1455 HA TRP 88 11.993 -32.335 12.315 1.00 74.15 ATOM 1456 CB TRP 88 11.053 -30.419 12.060 1.00 13.24 ATOM 1457 HB1 TRP 88 11.045 -30.192 11.000 1.00 37.92 ATOM 1458 HB2 TRP 88 11.115 -29.490 12.612 1.00 61.20 ATOM 1459 CG TRP 88 9.743 -31.073 12.382 1.00 23.05 ATOM 1460 CD1 TRP 88 8.827 -30.661 13.307 1.00 13.21 ATOM 1461 HD1 TRP 88 8.944 -29.790 13.934 1.00 32.05 ATOM 1462 CD2 TRP 88 9.206 -32.257 11.782 1.00 2.41 ATOM 1463 NE1 TRP 88 7.752 -31.517 13.318 1.00 50.02 ATOM 1464 HE1 TRP 88 6.964 -31.433 13.895 1.00 73.03 ATOM 1465 CE2 TRP 88 7.960 -32.504 12.391 1.00 40.32 ATOM 1466 CE3 TRP 88 9.655 -33.130 10.788 1.00 24.55 ATOM 1467 HE3 TRP 88 10.598 -32.971 10.297 1.00 12.31 ATOM 1468 CZ2 TRP 88 7.162 -33.588 12.038 1.00 74.42 ATOM 1469 HZ2 TRP 88 6.211 -33.773 12.513 1.00 65.02 ATOM 1470 CZ3 TRP 88 8.862 -34.207 10.439 1.00 11.35 ATOM 1471 HZ3 TRP 88 9.188 -34.889 9.672 1.00 71.11 ATOM 1472 CH2 TRP 88 7.626 -34.428 11.062 1.00 42.20 ATOM 1473 HH2 TRP 88 7.039 -35.283 10.759 1.00 71.11 ATOM 1474 C TRP 88 13.392 -31.014 11.406 1.00 24.30 ATOM 1475 O TRP 88 13.469 -31.637 10.347 1.00 53.02 ATOM 1476 N ARG 89 14.266 -30.077 11.760 1.00 63.55 ATOM 1477 HN ARG 89 14.100 -29.539 12.565 1.00 37.92 ATOM 1478 CA ARG 89 15.390 -29.719 10.903 1.00 51.53 ATOM 1479 HA ARG 89 14.995 -29.246 10.016 1.00 32.23 ATOM 1480 CB ARG 89 16.313 -28.733 11.622 1.00 55.42 ATOM 1481 HB1 ARG 89 15.781 -27.798 11.736 1.00 37.92 ATOM 1482 HB2 ARG 89 17.195 -28.559 11.019 1.00 63.32 ATOM 1483 CG ARG 89 16.756 -29.205 12.997 1.00 72.23 ATOM 1484 HG1 ARG 89 17.460 -30.010 12.873 1.00 37.92 ATOM 1485 HG2 ARG 89 15.906 -29.554 13.562 1.00 42.20 ATOM 1486 CD ARG 89 17.432 -28.089 13.778 1.00 61.50 ATOM 1487 HD1 ARG 89 16.931 -27.150 13.574 1.00 37.92 ATOM 1488 HD2 ARG 89 18.462 -28.020 13.459 1.00 43.24 ATOM 1489 NE ARG 89 17.397 -28.331 15.218 1.00 43.31 ATOM 1490 HE ARG 89 16.941 -29.144 15.539 1.00 63.03 ATOM 1491 CZ ARG 89 17.945 -27.516 16.113 1.00 62.30 ATOM 1492 NH1 ARG 89 18.566 -26.414 15.718 1.00 4.51 ATOM 1493 HH11 ARG 89 18.635 -26.175 14.750 1.00 2.43 ATOM 1494 HH12 ARG 89 18.976 -25.805 16.400 1.00 20.32 ATOM 1495 NH2 ARG 89 17.872 -27.804 17.406 1.00 30.12 ATOM 1496 HH21 ARG 89 17.404 -28.636 17.711 1.00 63.53 ATOM 1497 HH22 ARG 89 18.285 -27.191 18.083 1.00 54.21 ATOM 1498 C ARG 89 16.177 -30.959 10.490 1.00 74.04 ATOM 1499 O ARG 89 16.596 -31.084 9.340 1.00 64.42 ATOM 1500 N GLU 90 16.372 -31.872 11.436 1.00 41.01 ATOM 1501 HN GLU 90 15.988 -31.732 12.332 1.00 37.92 ATOM 1502 CA GLU 90 17.109 -33.101 11.170 1.00 65.54 ATOM 1503 HA GLU 90 18.065 -32.836 10.736 1.00 13.30 ATOM 1504 CB GLU 90 17.358 -33.865 12.472 1.00 62.42 ATOM 1505 HB1 GLU 90 17.943 -34.745 12.255 1.00 37.92 ATOM 1506 HB2 GLU 90 16.404 -34.174 12.882 1.00 34.11 ATOM 1507 CG GLU 90 18.074 -33.045 13.532 1.00 40.04 ATOM 1508 HG1 GLU 90 17.848 -33.472 14.498 1.00 37.92 ATOM 1509 HG2 GLU 90 17.732 -32.025 13.514 1.00 51.52 ATOM 1510 CD GLU 90 19.580 -33.053 13.357 1.00 42.33 ATOM 1511 OE1 GLU 90 20.287 -32.586 14.274 1.00 21.11 ATOM 1512 OE2 GLU 90 20.052 -33.526 12.301 1.00 12.04 ATOM 1513 C GLU 90 16.353 -33.987 10.184 1.00 34.21 ATOM 1514 O GLU 90 16.941 -34.547 9.258 1.00 12.14 ATOM 1515 N ILE 91 15.046 -34.109 10.391 1.00 72.53 ATOM 1516 HN ILE 91 14.633 -33.610 11.130 1.00 37.92 ATOM 1517 CA ILE 91 14.208 -34.926 9.521 1.00 64.11 ATOM 1518 HA ILE 91 14.573 -35.944 9.562 1.00 32.30 ATOM 1519 CB ILE 91 12.738 -34.911 9.979 1.00 21.41 ATOM 1520 HB ILE 91 12.355 -33.912 9.854 1.00 15.23 ATOM 1521 CG1 ILE 91 12.637 -35.301 11.455 1.00 22.32 ATOM 1522 HG11 ILE 91 11.598 -35.275 11.755 1.00 37.92 ATOM 1523 HG12 ILE 91 13.187 -34.602 12.062 1.00 62.20 ATOM 1524 CG2 ILE 91 11.906 -35.851 9.119 1.00 20.13 ATOM 1525 HG21 ILE 91 12.404 -36.808 9.030 1.00 74.42 ATOM 1526 HG22 ILE 91 11.773 -35.424 8.137 1.00 11.04 ATOM 1527 HG23 ILE 91 10.937 -36.001 9.570 1.00 65.23 ATOM 1528 CD1 ILE 91 13.161 -36.689 11.751 1.00 63.23 ATOM 1529 HD11 ILE 91 12.989 -36.909 12.789 1.00 30.21 ATOM 1530 HD12 ILE 91 14.218 -36.741 11.545 1.00 54.53 ATOM 1531 HD13 ILE 91 12.634 -37.411 11.150 1.00 60.22 ATOM 1532 C ILE 91 14.284 -34.445 8.076 1.00 73.32 ATOM 1533 O ILE 91 14.397 -35.247 7.148 1.00 53.25 ATOM 1534 N THR 92 14.222 -33.130 7.891 1.00 22.13 ATOM 1535 HN THR 92 14.126 -32.533 8.671 1.00 37.92 ATOM 1536 CA THR 92 14.284 -32.541 6.560 1.00 70.45 ATOM 1537 HA THR 92 13.547 -33.040 5.940 1.00 43.42 ATOM 1538 CB THR 92 13.974 -31.033 6.597 1.00 1.02 ATOM 1539 HB THR 92 14.768 -30.481 6.105 1.00 53.34 ATOM 1540 OG1 THR 92 13.884 -30.585 7.954 1.00 23.03 ATOM 1541 HG1 THR 92 14.070 -29.643 7.998 1.00 23.53 ATOM 1542 CG2 THR 92 12.673 -30.730 5.870 1.00 14.45 ATOM 1543 HG21 THR 92 11.966 -31.532 6.005 1.00 51.24 ATOM 1544 HG22 THR 92 12.877 -30.613 4.816 1.00 70.45 ATOM 1545 HG23 THR 92 12.260 -29.811 6.251 1.00 20.41 ATOM 1546 C THR 92 15.656 -32.751 5.929 1.00 72.22 ATOM 1547 O THR 92 15.764 -33.210 4.791 1.00 3.04 ATOM 1548 N LYS 93 16.702 -32.413 6.674 1.00 25.32 ATOM 1549 HN LYS 93 16.551 -32.047 7.579 1.00 37.92 ATOM 1550 CA LYS 93 18.069 -32.566 6.189 1.00 21.34 ATOM 1551 HA LYS 93 18.174 -31.955 5.301 1.00 43.05 ATOM 1552 CB LYS 93 19.065 -32.092 7.250 1.00 14.14 ATOM 1553 HB1 LYS 93 19.281 -32.908 7.930 1.00 37.92 ATOM 1554 HB2 LYS 93 18.613 -31.293 7.824 1.00 73.03 ATOM 1555 CG LYS 93 20.383 -31.605 6.673 1.00 15.14 ATOM 1556 HG1 LYS 93 20.577 -32.101 5.730 1.00 37.92 ATOM 1557 HG2 LYS 93 21.168 -31.858 7.374 1.00 4.53 ATOM 1558 CD LYS 93 20.371 -30.102 6.448 1.00 61.34 ATOM 1559 HD1 LYS 93 19.765 -29.617 7.204 1.00 37.92 ATOM 1560 HD2 LYS 93 19.957 -29.899 5.473 1.00 75.33 ATOM 1561 CE LYS 93 21.774 -29.518 6.513 1.00 70.34 ATOM 1562 HE1 LYS 93 22.210 -29.751 7.475 1.00 37.92 ATOM 1563 HE2 LYS 93 21.707 -28.446 6.402 1.00 32.35 ATOM 1564 NZ LYS 93 22.650 -30.059 5.437 1.00 24.51 ATOM 1565 HZ1 LYS 93 23.573 -29.579 5.459 1.00 73.33 ATOM 1566 HZ2 LYS 93 22.219 -29.904 4.502 1.00 4.24 ATOM 1567 HZ3 LYS 93 22.804 -31.079 5.572 1.00 50.53 ATOM 1568 C LYS 93 18.356 -34.018 5.821 1.00 62.32 ATOM 1569 O LYS 93 19.127 -34.295 4.903 1.00 73.05 ATOM 1570 N GLY 94 17.730 -34.943 6.543 1.00 52.33 ATOM 1571 HN GLY 94 17.137 -34.683 7.282 1.00 37.92 ATOM 1572 CA GLY 94 17.930 -36.355 6.275 1.00 4.20 ATOM 1573 HA1 GLY 94 17.266 -36.926 6.907 1.00 37.92 ATOM 1574 HA2 GLY 94 18.951 -36.617 6.514 1.00 44.43 ATOM 1575 C GLY 94 17.657 -36.715 4.828 1.00 34.34 ATOM 1576 O GLY 94 18.353 -37.548 4.246 1.00 53.13 ATOM 1577 N LEU 95 16.639 -36.089 4.247 1.00 65.32 ATOM 1578 HN LEU 95 16.151 -35.393 4.743 1.00 37.92 ATOM 1579 CA LEU 95 16.274 -36.350 2.859 1.00 54.22 ATOM 1580 HA LEU 95 16.597 -37.349 2.590 1.00 61.13 ATOM 1581 CB LEU 95 14.755 -36.275 2.688 1.00 23.14 ATOM 1582 HB1 LEU 95 14.480 -36.971 1.906 1.00 37.92 ATOM 1583 HB2 LEU 95 14.486 -35.288 2.359 1.00 40.11 ATOM 1584 CG LEU 95 13.924 -36.606 3.928 1.00 34.21 ATOM 1585 HG LEU 95 14.180 -35.932 4.729 1.00 10.25 ATOM 1586 CD1 LEU 95 12.442 -36.420 3.642 1.00 74.20 ATOM 1587 HD11 LEU 95 12.099 -35.517 4.125 1.00 51.30 ATOM 1588 HD12 LEU 95 11.878 -37.260 4.021 1.00 60.40 ATOM 1589 HD13 LEU 95 12.266 -36.337 2.577 1.00 33.34 ATOM 1590 CD2 LEU 95 14.204 -38.027 4.395 1.00 64.23 ATOM 1591 HD21 LEU 95 13.465 -38.337 5.122 1.00 44.33 ATOM 1592 HD22 LEU 95 15.183 -38.072 4.846 1.00 52.30 ATOM 1593 HD23 LEU 95 14.174 -38.688 3.545 1.00 44.12 ATOM 1594 C LEU 95 16.951 -35.356 1.921 1.00 5.33 ATOM 1595 O LEU 95 16.609 -35.266 0.743 1.00 12.12 ATOM 1596 N ASN 96 17.917 -34.613 2.453 1.00 53.52 ATOM 1597 HN ASN 96 18.178 -34.720 3.371 1.00 37.92 ATOM 1598 CA ASN 96 18.644 -33.626 1.663 1.00 44.21 ATOM 1599 HA ASN 96 19.386 -33.189 2.310 1.00 73.43 ATOM 1600 CB ASN 96 19.319 -34.298 0.465 1.00 12.31 ATOM 1601 HB1 ASN 96 18.616 -34.411 -0.350 1.00 37.92 ATOM 1602 HB2 ASN 96 19.669 -35.277 0.761 1.00 43.41 ATOM 1603 CG ASN 96 20.515 -33.514 -0.040 1.00 14.50 ATOM 1604 OD1 ASN 96 20.595 -33.175 -1.221 1.00 22.31 ATOM 1605 ND2 ASN 96 21.451 -33.221 0.855 1.00 11.01 ATOM 1606 HD21 ASN 96 21.346 -33.520 1.785 1.00 32.13 ATOM 1607 HD22 ASN 96 22.226 -32.707 0.546 1.00 65.32 ATOM 1608 C ASN 96 17.711 -32.520 1.181 1.00 40.54 ATOM 1609 O ASN 96 17.726 -32.147 0.007 1.00 45.14 ATOM 1610 N LEU 97 16.900 -31.998 2.094 1.00 53.21 ATOM 1611 HN LEU 97 16.941 -32.319 3.026 1.00 37.92 ATOM 1612 CA LEU 97 15.959 -30.933 1.763 1.00 41.11 ATOM 1613 HA LEU 97 15.848 -30.905 0.687 1.00 55.21 ATOM 1614 CB LEU 97 14.589 -31.227 2.376 1.00 71.11 ATOM 1615 HB1 LEU 97 13.868 -30.563 1.929 1.00 37.92 ATOM 1616 HB2 LEU 97 14.637 -31.009 3.438 1.00 31.10 ATOM 1617 CG LEU 97 14.078 -32.660 2.222 1.00 62.14 ATOM 1618 HG LEU 97 14.746 -33.324 2.733 1.00 32.21 ATOM 1619 CD1 LEU 97 12.698 -32.805 2.843 1.00 11.33 ATOM 1620 HD11 LEU 97 12.335 -33.813 2.693 1.00 55.41 ATOM 1621 HD12 LEU 97 12.013 -32.107 2.382 1.00 32.33 ATOM 1622 HD13 LEU 97 12.758 -32.606 3.900 1.00 73.53 ATOM 1623 CD2 LEU 97 14.049 -33.061 0.754 1.00 54.42 ATOM 1624 HD21 LEU 97 15.050 -33.036 0.348 1.00 11.32 ATOM 1625 HD22 LEU 97 13.420 -32.378 0.201 1.00 44.13 ATOM 1626 HD23 LEU 97 13.655 -34.064 0.660 1.00 41.42 ATOM 1627 C LEU 97 16.470 -29.583 2.255 1.00 11.33 ATOM 1628 O LEU 97 17.227 -29.493 3.222 1.00 12.32 ATOM 1629 N PRO 98 16.046 -28.506 1.577 1.00 34.01 ATOM 1630 CA PRO 98 16.445 -27.140 1.929 1.00 24.43 ATOM 1631 HA PRO 98 17.523 -27.048 1.973 1.00 11.10 ATOM 1632 CB PRO 98 15.912 -26.303 0.764 1.00 24.10 ATOM 1633 HB1 PRO 98 16.690 -26.185 0.025 1.00 37.92 ATOM 1634 HB2 PRO 98 15.590 -25.326 1.105 1.00 52.44 ATOM 1635 CG PRO 98 14.774 -27.094 0.218 1.00 21.35 ATOM 1636 HG1 PRO 98 14.668 -26.880 -0.832 1.00 37.92 ATOM 1637 HG2 PRO 98 13.885 -26.850 0.732 1.00 11.42 ATOM 1638 CD PRO 98 15.142 -28.539 0.415 1.00 45.05 ATOM 1639 HD1 PRO 98 15.650 -28.921 -0.458 1.00 37.92 ATOM 1640 HD2 PRO 98 14.259 -29.116 0.618 1.00 61.44 ATOM 1641 C PRO 98 15.828 -26.677 3.244 1.00 4.34 ATOM 1642 O PRO 98 14.631 -26.847 3.475 1.00 33.11 ATOM 1643 N THR 99 16.653 -26.089 4.105 1.00 5.33 ATOM 1644 HN THR 99 17.594 -25.982 3.853 1.00 37.92 ATOM 1645 CA THR 99 16.189 -25.601 5.398 1.00 40.13 ATOM 1646 HA THR 99 15.490 -26.321 5.809 1.00 35.14 ATOM 1647 CB THR 99 17.354 -25.452 6.394 1.00 45.33 ATOM 1648 HB THR 99 17.761 -26.433 6.598 1.00 54.03 ATOM 1649 OG1 THR 99 16.883 -24.876 7.617 1.00 33.42 ATOM 1650 HG1 THR 99 17.465 -25.129 8.339 1.00 3.23 ATOM 1651 CG2 THR 99 18.457 -24.581 5.810 1.00 20.11 ATOM 1652 HG21 THR 99 18.958 -25.108 5.015 1.00 74.22 ATOM 1653 HG22 THR 99 19.173 -24.356 6.586 1.00 60.52 ATOM 1654 HG23 THR 99 18.051 -23.655 5.430 1.00 73.21 ATOM 1655 C THR 99 15.481 -24.258 5.257 1.00 61.25 ATOM 1656 O THR 99 14.742 -23.839 6.147 1.00 1.21 ATOM 1657 N SER 100 15.711 -23.588 4.132 1.00 63.42 ATOM 1658 HN SER 100 16.321 -23.958 3.455 1.00 37.92 ATOM 1659 CA SER 100 15.097 -22.291 3.876 1.00 44.25 ATOM 1660 HA SER 100 15.386 -21.618 4.672 1.00 43.44 ATOM 1661 CB SER 100 15.594 -21.722 2.545 1.00 4.43 ATOM 1662 HB1 SER 100 15.281 -22.366 1.734 1.00 37.92 ATOM 1663 HB2 SER 100 16.672 -21.667 2.562 1.00 64.32 ATOM 1664 OG SER 100 15.078 -20.421 2.322 1.00 0.25 ATOM 1665 HG SER 100 15.238 -20.165 1.411 1.00 4.40 ATOM 1666 C SER 100 13.576 -22.404 3.857 1.00 41.22 ATOM 1667 O SER 100 12.867 -21.408 4.004 1.00 1.24 ATOM 1668 N ILE 101 13.082 -23.624 3.674 1.00 10.42 ATOM 1669 HN ILE 101 13.686 -24.373 3.521 1.00 37.92 ATOM 1670 CA ILE 101 11.645 -23.868 3.637 1.00 45.30 ATOM 1671 HA ILE 101 11.260 -23.412 2.732 1.00 71.12 ATOM 1672 CB ILE 101 11.332 -25.375 3.588 1.00 54.31 ATOM 1673 HB ILE 101 11.741 -25.833 4.474 1.00 54.34 ATOM 1674 CG1 ILE 101 11.982 -26.014 2.359 1.00 4.43 ATOM 1675 HG11 ILE 101 13.008 -25.712 2.280 1.00 37.92 ATOM 1676 HG12 ILE 101 11.460 -25.689 1.469 1.00 1.35 ATOM 1677 CG2 ILE 101 9.827 -25.602 3.576 1.00 64.32 ATOM 1678 HG21 ILE 101 9.388 -25.088 2.732 1.00 11.43 ATOM 1679 HG22 ILE 101 9.387 -25.233 4.489 1.00 14.42 ATOM 1680 HG23 ILE 101 9.613 -26.656 3.497 1.00 35.33 ATOM 1681 CD1 ILE 101 11.951 -27.526 2.376 1.00 12.24 ATOM 1682 HD11 ILE 101 12.394 -27.916 1.478 1.00 43.52 ATOM 1683 HD12 ILE 101 10.934 -27.857 2.438 1.00 14.23 ATOM 1684 HD13 ILE 101 12.493 -27.891 3.233 1.00 43.42 ATOM 1685 C ILE 101 10.952 -23.255 4.849 1.00 41.30 ATOM 1686 O ILE 101 11.208 -23.645 5.989 1.00 60.04 ATOM 1687 N THR 102 10.071 -22.292 4.596 1.00 75.33 ATOM 1688 HN THR 102 9.900 -22.025 3.661 1.00 37.92 ATOM 1689 CA THR 102 9.339 -21.625 5.665 1.00 30.22 ATOM 1690 HA THR 102 10.060 -21.348 6.431 1.00 70.11 ATOM 1691 CB THR 102 8.648 -20.345 5.160 1.00 44.44 ATOM 1692 HB THR 102 7.649 -20.584 4.812 1.00 32.41 ATOM 1693 OG1 THR 102 9.386 -19.790 4.064 1.00 34.23 ATOM 1694 HG1 THR 102 8.804 -19.253 3.520 1.00 23.00 ATOM 1695 CG2 THR 102 8.535 -19.315 6.274 1.00 73.13 ATOM 1696 HG21 THR 102 8.048 -18.429 5.894 1.00 25.20 ATOM 1697 HG22 THR 102 9.522 -19.057 6.631 1.00 4.31 ATOM 1698 HG23 THR 102 7.953 -19.723 7.088 1.00 41.02 ATOM 1699 C THR 102 8.289 -22.549 6.273 1.00 45.12 ATOM 1700 O THR 102 7.531 -23.200 5.554 1.00 23.12 ATOM 1701 N SER 103 8.251 -22.600 7.600 1.00 35.54 ATOM 1702 HN SER 103 8.876 -22.057 8.131 1.00 37.92 ATOM 1703 CA SER 103 7.295 -23.448 8.305 1.00 41.53 ATOM 1704 HA SER 103 7.475 -23.341 9.364 1.00 13.00 ATOM 1705 CB SER 103 5.864 -23.004 7.996 1.00 12.34 ATOM 1706 HB1 SER 103 5.188 -23.470 8.698 1.00 37.92 ATOM 1707 HB2 SER 103 5.591 -23.296 6.991 1.00 1.14 ATOM 1708 OG SER 103 5.732 -21.597 8.105 1.00 55.02 ATOM 1709 HG SER 103 5.638 -21.351 9.029 1.00 43.34 ATOM 1710 C SER 103 7.480 -24.912 7.919 1.00 52.01 ATOM 1711 O SER 103 6.543 -25.707 7.990 1.00 1.14 ATOM 1712 N ALA 104 8.695 -25.261 7.509 1.00 1.35 ATOM 1713 HN ALA 104 9.424 -24.601 7.511 1.00 37.92 ATOM 1714 CA ALA 104 9.005 -26.629 7.114 1.00 74.01 ATOM 1715 HA ALA 104 8.458 -26.847 6.208 1.00 11.32 ATOM 1716 CB ALA 104 10.490 -26.768 6.813 1.00 74.31 ATOM 1717 HB1 ALA 104 10.671 -27.708 6.314 1.00 62.14 ATOM 1718 HB2 ALA 104 11.059 -26.733 7.733 1.00 4.25 ATOM 1719 HB3 ALA 104 10.796 -25.964 6.183 1.00 34.54 ATOM 1720 C ALA 104 8.587 -27.621 8.194 1.00 14.43 ATOM 1721 O ALA 104 8.103 -28.712 7.895 1.00 52.21 ATOM 1722 N ALA 105 8.777 -27.234 9.452 1.00 63.15 ATOM 1723 HN ALA 105 9.179 -26.352 9.635 1.00 37.92 ATOM 1724 CA ALA 105 8.419 -28.089 10.576 1.00 34.13 ATOM 1725 HA ALA 105 8.899 -29.050 10.440 1.00 44.22 ATOM 1726 CB ALA 105 8.933 -27.492 11.878 1.00 72.11 ATOM 1727 HB1 ALA 105 8.630 -26.457 11.940 1.00 33.24 ATOM 1728 HB2 ALA 105 10.011 -27.550 11.897 1.00 44.13 ATOM 1729 HB3 ALA 105 8.531 -28.032 12.721 1.00 3.05 ATOM 1730 C ALA 105 6.910 -28.298 10.648 1.00 72.24 ATOM 1731 O ALA 105 6.439 -29.358 11.061 1.00 72.01 ATOM 1732 N PHE 106 6.156 -27.281 10.243 1.00 64.10 ATOM 1733 HN PHE 106 6.581 -26.450 9.942 1.00 37.92 ATOM 1734 CA PHE 106 4.700 -27.353 10.263 1.00 60.32 ATOM 1735 HA PHE 106 4.400 -27.807 11.202 1.00 52.13 ATOM 1736 CB PHE 106 4.097 -25.950 10.166 1.00 64.24 ATOM 1737 HB1 PHE 106 3.914 -25.696 9.127 1.00 37.92 ATOM 1738 HB2 PHE 106 4.807 -25.235 10.568 1.00 15.23 ATOM 1739 CG PHE 106 2.812 -25.796 10.927 1.00 10.20 ATOM 1740 CD1 PHE 106 1.591 -25.965 10.293 1.00 4.13 ATOM 1741 HD1 PHE 106 1.564 -26.211 9.240 1.00 65.04 ATOM 1742 CD2 PHE 106 2.824 -25.482 12.277 1.00 61.35 ATOM 1743 HD2 PHE 106 3.769 -25.346 12.786 1.00 32.10 ATOM 1744 CE1 PHE 106 0.407 -25.823 10.992 1.00 42.45 ATOM 1745 HE1 PHE 106 -0.538 -25.957 10.487 1.00 25.53 ATOM 1746 CE2 PHE 106 1.643 -25.339 12.980 1.00 30.12 ATOM 1747 HE2 PHE 106 1.666 -25.095 14.032 1.00 61.11 ATOM 1748 CZ PHE 106 0.433 -25.511 12.337 1.00 40.42 ATOM 1749 HZ PHE 106 -0.486 -25.401 12.880 1.00 2.44 ATOM 1750 C PHE 106 4.183 -28.221 9.119 1.00 31.45 ATOM 1751 O PHE 106 3.355 -29.110 9.324 1.00 53.22 ATOM 1752 N THR 107 4.677 -27.958 7.914 1.00 41.23 ATOM 1753 HN THR 107 5.338 -27.233 7.810 1.00 37.92 ATOM 1754 CA THR 107 4.265 -28.712 6.737 1.00 31.40 ATOM 1755 HA THR 107 3.187 -28.643 6.651 1.00 71.34 ATOM 1756 CB THR 107 4.886 -28.133 5.452 1.00 0.00 ATOM 1757 HB THR 107 5.964 -28.174 5.538 1.00 43.14 ATOM 1758 OG1 THR 107 4.485 -26.768 5.286 1.00 31.42 ATOM 1759 HG1 THR 107 5.133 -26.303 4.751 1.00 11.03 ATOM 1760 CG2 THR 107 4.465 -28.942 4.235 1.00 74.22 ATOM 1761 HG21 THR 107 3.399 -29.130 4.263 1.00 71.20 ATOM 1762 HG22 THR 107 4.998 -29.881 4.216 1.00 54.24 ATOM 1763 HG23 THR 107 4.702 -28.384 3.341 1.00 50.33 ATOM 1764 C THR 107 4.657 -30.180 6.860 1.00 31.41 ATOM 1765 O THR 107 3.895 -31.071 6.481 1.00 42.03 ATOM 1766 N LEU 108 5.849 -30.427 7.393 1.00 55.11 ATOM 1767 HN LEU 108 6.424 -29.674 7.669 1.00 37.92 ATOM 1768 CA LEU 108 6.342 -31.789 7.567 1.00 12.31 ATOM 1769 HA LEU 108 6.324 -32.281 6.603 1.00 54.24 ATOM 1770 CB LEU 108 7.781 -31.768 8.086 1.00 35.44 ATOM 1771 HB1 LEU 108 8.018 -32.747 8.471 1.00 37.92 ATOM 1772 HB2 LEU 108 7.814 -31.069 8.912 1.00 44.23 ATOM 1773 CG LEU 108 8.856 -31.386 7.069 1.00 0.20 ATOM 1774 HG LEU 108 8.494 -30.581 6.455 1.00 31.43 ATOM 1775 CD1 LEU 108 10.112 -30.901 7.777 1.00 52.23 ATOM 1776 HD11 LEU 108 10.498 -30.053 7.243 1.00 62.02 ATOM 1777 HD12 LEU 108 10.861 -31.681 7.812 1.00 50.15 ATOM 1778 HD13 LEU 108 9.884 -30.593 8.790 1.00 64.35 ATOM 1779 CD2 LEU 108 9.175 -32.565 6.161 1.00 12.41 ATOM 1780 HD21 LEU 108 9.919 -32.272 5.433 1.00 22.31 ATOM 1781 HD22 LEU 108 8.278 -32.878 5.645 1.00 44.24 ATOM 1782 HD23 LEU 108 9.555 -33.388 6.751 1.00 73.52 ATOM 1783 C LEU 108 5.453 -32.571 8.529 1.00 60.04 ATOM 1784 O LEU 108 5.103 -33.722 8.269 1.00 61.34 ATOM 1785 N ARG 109 5.090 -31.937 9.639 1.00 72.41 ATOM 1786 HN ARG 109 5.410 -31.017 9.800 1.00 37.92 ATOM 1787 CA ARG 109 4.241 -32.574 10.639 1.00 52.32 ATOM 1788 HA ARG 109 4.755 -33.435 11.020 1.00 12.40 ATOM 1789 CB ARG 109 3.955 -31.605 11.788 1.00 45.12 ATOM 1790 HB1 ARG 109 3.368 -30.776 11.412 1.00 37.92 ATOM 1791 HB2 ARG 109 4.898 -31.226 12.158 1.00 24.15 ATOM 1792 CG ARG 109 3.209 -32.240 12.949 1.00 21.43 ATOM 1793 HG1 ARG 109 3.812 -33.031 13.347 1.00 37.92 ATOM 1794 HG2 ARG 109 2.273 -32.644 12.593 1.00 5.01 ATOM 1795 CD ARG 109 2.913 -31.226 14.043 1.00 23.31 ATOM 1796 HD1 ARG 109 3.836 -30.729 14.310 1.00 37.92 ATOM 1797 HD2 ARG 109 2.522 -31.743 14.898 1.00 31.11 ATOM 1798 NE ARG 109 1.925 -30.238 13.620 1.00 13.05 ATOM 1799 HE ARG 109 1.358 -30.456 12.843 1.00 53.23 ATOM 1800 CZ ARG 109 1.746 -29.070 14.228 1.00 24.32 ATOM 1801 NH1 ARG 109 2.487 -28.747 15.279 1.00 12.54 ATOM 1802 HH11 ARG 109 3.184 -29.362 15.638 1.00 35.24 ATOM 1803 HH12 ARG 109 2.346 -27.862 15.728 1.00 64.15 ATOM 1804 NH2 ARG 109 0.826 -28.224 13.784 1.00 3.53 ATOM 1805 HH21 ARG 109 0.274 -28.453 12.979 1.00 25.10 ATOM 1806 HH22 ARG 109 0.645 -27.380 14.285 1.00 31.34 ATOM 1807 C ARG 109 2.929 -33.044 10.018 1.00 55.10 ATOM 1808 O ARG 109 2.565 -34.216 10.121 1.00 53.04 ATOM 1809 N THR 110 2.221 -32.121 9.374 1.00 74.44 ATOM 1810 HN THR 110 2.566 -31.198 9.321 1.00 37.92 ATOM 1811 CA THR 110 0.948 -32.440 8.738 1.00 65.22 ATOM 1812 HA THR 110 0.301 -32.890 9.481 1.00 62.01 ATOM 1813 CB THR 110 0.254 -31.173 8.203 1.00 24.23 ATOM 1814 HB THR 110 0.908 -30.693 7.487 1.00 32.55 ATOM 1815 OG1 THR 110 -0.003 -30.264 9.280 1.00 62.53 ATOM 1816 HG1 THR 110 0.797 -29.774 9.486 1.00 44.43 ATOM 1817 CG2 THR 110 -1.051 -31.525 7.507 1.00 54.44 ATOM 1818 HG21 THR 110 -1.634 -30.625 7.374 1.00 4.51 ATOM 1819 HG22 THR 110 -1.616 -32.228 8.105 1.00 41.20 ATOM 1820 HG23 THR 110 -0.845 -31.957 6.539 1.00 35.52 ATOM 1821 C THR 110 1.139 -33.424 7.589 1.00 22.33 ATOM 1822 O THR 110 0.486 -34.466 7.539 1.00 63.23 ATOM 1823 N GLN 111 2.038 -33.087 6.670 1.00 11.21 ATOM 1824 HN GLN 111 2.527 -32.236 6.765 1.00 37.92 ATOM 1825 CA GLN 111 2.314 -33.942 5.522 1.00 73.21 ATOM 1826 HA GLN 111 1.419 -34.001 4.940 1.00 34.11 ATOM 1827 CB GLN 111 3.454 -33.358 4.686 1.00 13.20 ATOM 1828 HB1 GLN 111 3.828 -34.120 4.013 1.00 37.92 ATOM 1829 HB2 GLN 111 4.256 -33.056 5.337 1.00 25.42 ATOM 1830 CG GLN 111 3.037 -32.168 3.837 1.00 42.15 ATOM 1831 HG1 GLN 111 3.868 -31.881 3.209 1.00 37.92 ATOM 1832 HG2 GLN 111 2.777 -31.348 4.485 1.00 22.20 ATOM 1833 CD GLN 111 1.844 -32.472 2.952 1.00 41.50 ATOM 1834 OE1 GLN 111 1.558 -33.631 2.652 1.00 65.05 ATOM 1835 NE2 GLN 111 1.139 -31.428 2.529 1.00 24.45 ATOM 1836 HE21 GLN 111 1.413 -30.523 2.801 1.00 75.01 ATOM 1837 HE22 GLN 111 0.364 -31.604 1.956 1.00 73.51 ATOM 1838 C GLN 111 2.669 -35.356 5.969 1.00 33.34 ATOM 1839 O GLN 111 2.369 -36.330 5.279 1.00 75.42 ATOM 1840 N TYR 112 3.309 -35.461 7.128 1.00 23.33 ATOM 1841 HN TYR 112 3.547 -34.650 7.634 1.00 37.92 ATOM 1842 CA TYR 112 3.708 -36.756 7.667 1.00 71.43 ATOM 1843 HA TYR 112 4.062 -37.374 6.851 1.00 72.23 ATOM 1844 CB TYR 112 4.846 -36.585 8.675 1.00 74.04 ATOM 1845 HB1 TYR 112 4.574 -35.809 9.378 1.00 37.92 ATOM 1846 HB2 TYR 112 5.740 -36.280 8.147 1.00 0.12 ATOM 1847 CG TYR 112 5.155 -37.841 9.458 1.00 14.43 ATOM 1848 CD1 TYR 112 4.478 -38.131 10.637 1.00 62.43 ATOM 1849 HD1 TYR 112 3.722 -37.447 10.996 1.00 24.42 ATOM 1850 CD2 TYR 112 6.123 -38.735 9.021 1.00 23.52 ATOM 1851 HD2 TYR 112 6.658 -38.533 8.123 1.00 54.41 ATOM 1852 CE1 TYR 112 4.757 -39.277 11.357 1.00 45.04 ATOM 1853 HE1 TYR 112 4.222 -39.493 12.260 1.00 31.14 ATOM 1854 CE2 TYR 112 6.408 -39.884 9.734 1.00 61.12 ATOM 1855 HE2 TYR 112 7.163 -40.557 9.383 1.00 4.13 ATOM 1856 CZ TYR 112 5.723 -40.150 10.901 1.00 72.42 ATOM 1857 OH TYR 112 6.005 -41.293 11.614 1.00 14.22 ATOM 1858 HH TYR 112 5.289 -41.928 11.510 1.00 22.11 ATOM 1859 C TYR 112 2.527 -37.457 8.331 1.00 75.33 ATOM 1860 O TYR 112 2.188 -38.589 7.986 1.00 63.04 ATOM 1861 N MET 113 1.903 -36.775 9.285 1.00 13.14 ATOM 1862 HN MET 113 2.222 -35.872 9.517 1.00 37.92 ATOM 1863 CA MET 113 0.758 -37.330 9.997 1.00 35.33 ATOM 1864 HA MET 113 1.084 -38.220 10.507 1.00 14.33 ATOM 1865 CB MET 113 0.241 -36.331 11.034 1.00 54.11 ATOM 1866 HB1 MET 113 -0.291 -35.537 10.522 1.00 37.92 ATOM 1867 HB2 MET 113 1.091 -35.901 11.550 1.00 64.41 ATOM 1868 CG MET 113 -0.669 -36.955 12.079 1.00 32.42 ATOM 1869 HG1 MET 113 -0.059 -37.306 12.898 1.00 37.92 ATOM 1870 HG2 MET 113 -1.203 -37.791 11.651 1.00 72.03 ATOM 1871 SD MET 113 -1.881 -35.790 12.731 1.00 5.23 ATOM 1872 CE MET 113 -0.816 -34.437 13.226 1.00 12.12 ATOM 1873 HE1 MET 113 -0.067 -34.800 13.914 1.00 70.44 ATOM 1874 HE2 MET 113 -1.409 -33.675 13.708 1.00 64.41 ATOM 1875 HE3 MET 113 -0.334 -34.016 12.356 1.00 53.43 ATOM 1876 C MET 113 -0.360 -37.698 9.026 1.00 12.35 ATOM 1877 O MET 113 -1.233 -38.505 9.345 1.00 32.23 ATOM 1878 N LYS 114 -0.328 -37.100 7.840 1.00 2.23 ATOM 1879 HN LYS 114 0.340 -36.406 7.657 1.00 37.92 ATOM 1880 CA LYS 114 -1.337 -37.364 6.822 1.00 71.32 ATOM 1881 HA LYS 114 -2.306 -37.120 7.240 1.00 41.31 ATOM 1882 CB LYS 114 -1.082 -36.500 5.585 1.00 1.10 ATOM 1883 HB1 LYS 114 -1.371 -37.054 4.700 1.00 37.92 ATOM 1884 HB2 LYS 114 -0.029 -36.275 5.520 1.00 10.13 ATOM 1885 CG LYS 114 -1.850 -35.189 5.590 1.00 62.52 ATOM 1886 HG1 LYS 114 -1.566 -34.614 6.453 1.00 37.92 ATOM 1887 HG2 LYS 114 -2.908 -35.405 5.641 1.00 33.44 ATOM 1888 CD LYS 114 -1.570 -34.374 4.338 1.00 22.53 ATOM 1889 HD1 LYS 114 -0.508 -34.228 4.235 1.00 37.92 ATOM 1890 HD2 LYS 114 -2.055 -33.414 4.438 1.00 32.33 ATOM 1891 CE LYS 114 -2.096 -35.069 3.092 1.00 64.24 ATOM 1892 HE1 LYS 114 -2.936 -35.703 3.349 1.00 37.92 ATOM 1893 HE2 LYS 114 -1.310 -35.669 2.678 1.00 10.34 ATOM 1894 NZ LYS 114 -2.540 -34.093 2.058 1.00 32.25 ATOM 1895 HZ1 LYS 114 -1.745 -33.485 1.769 1.00 74.42 ATOM 1896 HZ2 LYS 114 -3.305 -33.493 2.431 1.00 2.42 ATOM 1897 HZ3 LYS 114 -2.893 -34.600 1.221 1.00 43.22 ATOM 1898 C LYS 114 -1.343 -38.839 6.432 1.00 53.00 ATOM 1899 O LYS 114 -2.390 -39.487 6.435 1.00 60.32 ATOM 1900 N TYR 115 -0.169 -39.363 6.099 1.00 50.23 ATOM 1901 HN TYR 115 0.641 -38.802 6.125 1.00 37.92 ATOM 1902 CA TYR 115 -0.040 -40.761 5.706 1.00 42.03 ATOM 1903 HA TYR 115 -1.023 -41.162 5.527 1.00 33.14 ATOM 1904 CB TYR 115 0.774 -40.877 4.416 1.00 43.11 ATOM 1905 HB1 TYR 115 0.746 -41.896 4.063 1.00 37.92 ATOM 1906 HB2 TYR 115 1.806 -40.617 4.628 1.00 24.32 ATOM 1907 CG TYR 115 0.291 -39.965 3.311 1.00 4.51 ATOM 1908 CD1 TYR 115 -0.547 -40.438 2.309 1.00 31.03 ATOM 1909 HD1 TYR 115 -0.854 -41.457 2.327 1.00 35.02 ATOM 1910 CD2 TYR 115 0.674 -38.630 3.268 1.00 2.32 ATOM 1911 HD2 TYR 115 1.327 -38.242 4.038 1.00 62.14 ATOM 1912 CE1 TYR 115 -0.990 -39.608 1.297 1.00 34.54 ATOM 1913 HE1 TYR 115 -1.646 -39.991 0.532 1.00 0.34 ATOM 1914 CE2 TYR 115 0.235 -37.793 2.261 1.00 14.40 ATOM 1915 HE2 TYR 115 0.545 -36.759 2.246 1.00 12.43 ATOM 1916 CZ TYR 115 -0.597 -38.287 1.278 1.00 52.41 ATOM 1917 OH TYR 115 -1.036 -37.456 0.272 1.00 30.22 ATOM 1918 HH TYR 115 -1.965 -37.244 0.405 1.00 40.14 ATOM 1919 C TYR 115 0.620 -41.579 6.812 1.00 73.12 ATOM 1920 O TYR 115 0.092 -42.607 7.239 1.00 65.34 ATOM 1921 N LEU 116 1.776 -41.115 7.272 1.00 10.14 ATOM 1922 HN LEU 116 2.144 -40.277 6.900 1.00 37.92 ATOM 1923 CA LEU 116 2.509 -41.802 8.330 1.00 44.30 ATOM 1924 HA LEU 116 2.382 -42.871 8.193 1.00 13.34 ATOM 1925 CB LEU 116 4.002 -41.482 8.233 1.00 1.32 ATOM 1926 HB1 LEU 116 4.520 -41.983 9.043 1.00 37.92 ATOM 1927 HB2 LEU 116 4.105 -40.415 8.371 1.00 64.22 ATOM 1928 CG LEU 116 4.685 -41.855 6.917 1.00 73.31 ATOM 1929 HG LEU 116 4.111 -41.453 6.094 1.00 41.02 ATOM 1930 CD1 LEU 116 6.081 -41.256 6.851 1.00 72.13 ATOM 1931 HD11 LEU 116 6.011 -40.185 6.863 1.00 14.30 ATOM 1932 HD12 LEU 116 6.555 -41.561 5.932 1.00 42.24 ATOM 1933 HD13 LEU 116 6.667 -41.594 7.682 1.00 14.30 ATOM 1934 CD2 LEU 116 4.743 -43.368 6.757 1.00 42.52 ATOM 1935 HD21 LEU 116 3.743 -43.763 6.749 1.00 25.34 ATOM 1936 HD22 LEU 116 5.294 -43.803 7.579 1.00 75.51 ATOM 1937 HD23 LEU 116 5.232 -43.618 5.825 1.00 21.03 ATOM 1938 C LEU 116 1.981 -41.406 9.705 1.00 51.41 ATOM 1939 O LEU 116 2.017 -40.234 10.081 1.00 3.22 ATOM 1940 N TYR 117 1.492 -42.390 10.451 1.00 2.10 ATOM 1941 HN TYR 117 1.557 -43.318 10.123 1.00 37.92 ATOM 1942 CA TYR 117 0.956 -42.144 11.784 1.00 20.25 ATOM 1943 HA TYR 117 1.762 -41.784 12.407 1.00 72.21 ATOM 1944 CB TYR 117 -0.142 -41.080 11.728 1.00 64.43 ATOM 1945 HB1 TYR 117 -0.639 -41.090 10.772 1.00 37.92 ATOM 1946 HB2 TYR 117 0.329 -40.114 11.853 1.00 23.11 ATOM 1947 CG TYR 117 -1.166 -41.207 12.833 1.00 64.31 ATOM 1948 CD1 TYR 117 -2.521 -41.301 12.543 1.00 54.32 ATOM 1949 HD1 TYR 117 -2.847 -41.276 11.514 1.00 61.34 ATOM 1950 CD2 TYR 117 -0.778 -41.233 14.167 1.00 40.13 ATOM 1951 HD2 TYR 117 0.272 -41.161 14.414 1.00 54.10 ATOM 1952 CE1 TYR 117 -3.461 -41.416 13.549 1.00 22.12 ATOM 1953 HE1 TYR 117 -4.510 -41.488 13.302 1.00 13.20 ATOM 1954 CE2 TYR 117 -1.710 -41.350 15.179 1.00 12.44 ATOM 1955 HE2 TYR 117 -1.388 -41.369 16.210 1.00 30.24 ATOM 1956 CZ TYR 117 -3.050 -41.441 14.866 1.00 53.43 ATOM 1957 OH TYR 117 -3.982 -41.556 15.872 1.00 51.53 ATOM 1958 HH TYR 117 -4.329 -42.453 15.895 1.00 70.12 ATOM 1959 C TYR 117 0.404 -43.429 12.395 1.00 53.22 ATOM 1960 O TYR 117 0.825 -43.870 13.464 1.00 1.22 ATOM 1961 N PRO 118 -0.563 -44.045 11.699 1.00 60.23 ATOM 1962 CA PRO 118 -1.194 -45.289 12.151 1.00 51.41 ATOM 1963 HA PRO 118 -1.576 -45.197 13.158 1.00 64.31 ATOM 1964 CB PRO 118 -2.359 -45.471 11.174 1.00 3.24 ATOM 1965 HB1 PRO 118 -3.245 -45.027 11.600 1.00 37.92 ATOM 1966 HB2 PRO 118 -2.542 -46.516 10.979 1.00 54.42 ATOM 1967 CG PRO 118 -1.940 -44.741 9.945 1.00 11.21 ATOM 1968 HG1 PRO 118 -2.811 -44.391 9.411 1.00 37.92 ATOM 1969 HG2 PRO 118 -1.349 -45.390 9.316 1.00 24.30 ATOM 1970 CD PRO 118 -1.114 -43.576 10.416 1.00 30.02 ATOM 1971 HD1 PRO 118 -1.753 -42.736 10.538 1.00 37.92 ATOM 1972 HD2 PRO 118 -0.357 -43.371 9.690 1.00 22.23 ATOM 1973 C PRO 118 -0.246 -46.480 12.077 1.00 64.30 ATOM 1974 O PRO 118 -0.382 -47.442 12.834 1.00 64.14 ATOM 1975 N TYR 119 0.715 -46.410 11.162 1.00 73.21 ATOM 1976 HN TYR 119 0.777 -45.621 10.576 1.00 37.92 ATOM 1977 CA TYR 119 1.685 -47.485 10.988 1.00 11.42 ATOM 1978 HA TYR 119 1.143 -48.421 10.942 1.00 13.14 ATOM 1979 CB TYR 119 2.464 -47.291 9.686 1.00 74.40 ATOM 1980 HB1 TYR 119 3.190 -46.495 9.810 1.00 37.92 ATOM 1981 HB2 TYR 119 1.769 -47.008 8.906 1.00 23.41 ATOM 1982 CG TYR 119 3.180 -48.538 9.218 1.00 20.02 ATOM 1983 CD1 TYR 119 4.562 -48.556 9.075 1.00 60.13 ATOM 1984 HD1 TYR 119 5.129 -47.664 9.303 1.00 42.45 ATOM 1985 CD2 TYR 119 2.475 -49.697 8.919 1.00 63.24 ATOM 1986 HD2 TYR 119 1.406 -49.706 9.028 1.00 70.43 ATOM 1987 CE1 TYR 119 5.221 -49.693 8.647 1.00 50.51 ATOM 1988 HE1 TYR 119 6.291 -49.695 8.551 1.00 71.43 ATOM 1989 CE2 TYR 119 3.126 -50.839 8.492 1.00 51.43 ATOM 1990 HE2 TYR 119 2.560 -51.730 8.265 1.00 24.23 ATOM 1991 CZ TYR 119 4.499 -50.831 8.357 1.00 34.22 ATOM 1992 OH TYR 119 5.150 -51.966 7.931 1.00 43.32 ATOM 1993 HH TYR 119 5.616 -52.372 8.668 1.00 50.23 ATOM 1994 C TYR 119 2.651 -47.542 12.168 1.00 72.42 ATOM 1995 O TYR 119 3.037 -48.622 12.614 1.00 4.24 ATOM 1996 N GLU 120 3.035 -46.372 12.667 1.00 4.12 ATOM 1997 HN GLU 120 2.700 -45.536 12.265 1.00 37.92 ATOM 1998 CA GLU 120 3.956 -46.289 13.795 1.00 42.22 ATOM 1999 HA GLU 120 4.793 -46.950 13.594 1.00 31.10 ATOM 2000 CB GLU 120 4.477 -44.859 13.952 1.00 43.21 ATOM 2001 HB1 GLU 120 3.719 -44.258 14.443 1.00 37.92 ATOM 2002 HB2 GLU 120 4.660 -44.443 12.972 1.00 74.32 ATOM 2003 CG GLU 120 5.770 -44.766 14.745 1.00 41.22 ATOM 2004 HG1 GLU 120 6.589 -44.889 14.064 1.00 37.92 ATOM 2005 HG2 GLU 120 5.798 -45.553 15.488 1.00 25.23 ATOM 2006 CD GLU 120 5.923 -43.436 15.458 1.00 72.31 ATOM 2007 OE1 GLU 120 5.449 -43.323 16.608 1.00 50.21 ATOM 2008 OE2 GLU 120 6.515 -42.510 14.867 1.00 43.24 ATOM 2009 C GLU 120 3.278 -46.739 15.085 1.00 31.34 ATOM 2010 O GLU 120 3.905 -47.361 15.944 1.00 12.33 ATOM 2011 N CYS 121 1.995 -46.421 15.214 1.00 32.14 ATOM 2012 HN CYS 121 1.540 -45.919 14.498 1.00 37.92 ATOM 2013 CA CYS 121 1.231 -46.791 16.401 1.00 73.45 ATOM 2014 HA CYS 121 1.868 -46.668 17.269 1.00 53.40 ATOM 2015 CB CYS 121 0.015 -45.876 16.556 1.00 61.52 ATOM 2016 HB1 CYS 121 -0.663 -46.034 15.728 1.00 37.92 ATOM 2017 HB2 CYS 121 0.348 -44.849 16.547 1.00 0.31 ATOM 2018 SG CYS 121 -0.912 -46.134 18.087 1.00 60.14 ATOM 2019 HG CYS 121 -1.465 -47.337 18.033 1.00 74.24 ATOM 2020 C CYS 121 0.781 -48.247 16.325 1.00 53.21 ATOM 2021 O CYS 121 0.608 -48.907 17.349 1.00 2.41 ATOM 2022 N GLU 122 0.591 -48.740 15.105 1.00 40.41 ATOM 2023 HN GLU 122 0.738 -48.169 14.316 1.00 37.92 ATOM 2024 CA GLU 122 0.158 -50.116 14.897 1.00 63.43 ATOM 2025 HA GLU 122 -0.568 -50.369 15.661 1.00 24.41 ATOM 2026 CB GLU 122 -0.508 -50.264 13.527 1.00 45.41 ATOM 2027 HB1 GLU 122 0.205 -49.991 12.761 1.00 37.92 ATOM 2028 HB2 GLU 122 -1.339 -49.578 13.484 1.00 73.31 ATOM 2029 CG GLU 122 -1.000 -51.672 13.238 1.00 41.44 ATOM 2030 HG1 GLU 122 -0.499 -52.386 13.874 1.00 37.92 ATOM 2031 HG2 GLU 122 -0.774 -51.914 12.218 1.00 64.44 ATOM 2032 CD GLU 122 -2.492 -51.825 13.460 1.00 21.22 ATOM 2033 OE1 GLU 122 -3.109 -52.670 12.778 1.00 51.44 ATOM 2034 OE2 GLU 122 -3.042 -51.102 14.316 1.00 13.51 ATOM 2035 C GLU 122 1.337 -51.080 15.008 1.00 55.22 ATOM 2036 O GLU 122 1.242 -52.122 15.656 1.00 62.41 ATOM 2037 N LYS 123 2.447 -50.723 14.370 1.00 35.53 ATOM 2038 HN LYS 123 2.468 -49.874 13.868 1.00 37.92 ATOM 2039 CA LYS 123 3.645 -51.554 14.397 1.00 53.04 ATOM 2040 HA LYS 123 3.342 -52.592 14.420 1.00 21.13 ATOM 2041 CB LYS 123 4.492 -51.303 13.147 1.00 11.42 ATOM 2042 HB1 LYS 123 5.468 -51.759 13.278 1.00 37.92 ATOM 2043 HB2 LYS 123 4.628 -50.244 13.023 1.00 14.55 ATOM 2044 CG LYS 123 3.880 -51.862 11.875 1.00 53.45 ATOM 2045 HG1 LYS 123 4.443 -51.489 11.032 1.00 37.92 ATOM 2046 HG2 LYS 123 2.856 -51.518 11.801 1.00 34.10 ATOM 2047 CD LYS 123 3.919 -53.380 11.857 1.00 30.53 ATOM 2048 HD1 LYS 123 3.898 -53.777 12.861 1.00 37.92 ATOM 2049 HD2 LYS 123 4.833 -53.691 11.374 1.00 35.11 ATOM 2050 CE LYS 123 2.743 -53.960 11.086 1.00 41.33 ATOM 2051 HE1 LYS 123 2.512 -53.322 10.241 1.00 37.92 ATOM 2052 HE2 LYS 123 1.888 -54.006 11.742 1.00 54.14 ATOM 2053 NZ LYS 123 3.033 -55.330 10.579 1.00 11.32 ATOM 2054 HZ1 LYS 123 3.853 -55.313 9.938 1.00 74.13 ATOM 2055 HZ2 LYS 123 2.211 -55.696 10.058 1.00 44.25 ATOM 2056 HZ3 LYS 123 3.238 -55.974 11.372 1.00 41.04 ATOM 2057 C LYS 123 4.471 -51.277 15.648 1.00 22.14 ATOM 2058 O LYS 123 5.146 -52.167 16.167 1.00 11.42 ATOM 2059 N ARG 124 4.413 -50.039 16.129 1.00 75.51 ATOM 2060 HN ARG 124 3.884 -49.354 15.665 1.00 37.92 ATOM 2061 CA ARG 124 5.156 -49.646 17.320 1.00 34.41 ATOM 2062 HA ARG 124 5.484 -50.537 17.844 1.00 24.13 ATOM 2063 CB ARG 124 6.375 -48.808 16.933 1.00 62.21 ATOM 2064 HB1 ARG 124 6.470 -47.943 17.577 1.00 37.92 ATOM 2065 HB2 ARG 124 6.247 -48.454 15.918 1.00 30.32 ATOM 2066 CG ARG 124 7.684 -49.579 16.983 1.00 45.43 ATOM 2067 HG1 ARG 124 8.451 -48.989 16.502 1.00 37.92 ATOM 2068 HG2 ARG 124 7.566 -50.514 16.450 1.00 11.32 ATOM 2069 CD ARG 124 8.110 -49.862 18.415 1.00 42.41 ATOM 2070 HD1 ARG 124 7.248 -49.818 19.060 1.00 37.92 ATOM 2071 HD2 ARG 124 8.822 -49.110 18.719 1.00 42.21 ATOM 2072 NE ARG 124 8.728 -51.178 18.552 1.00 12.24 ATOM 2073 HE ARG 124 9.022 -51.638 17.731 1.00 14.14 ATOM 2074 CZ ARG 124 8.919 -51.781 19.720 1.00 22.42 ATOM 2075 NH1 ARG 124 8.543 -51.190 20.845 1.00 13.15 ATOM 2076 HH11 ARG 124 8.116 -50.289 20.846 1.00 51.35 ATOM 2077 HH12 ARG 124 8.689 -51.657 21.720 1.00 31.14 ATOM 2078 NH2 ARG 124 9.488 -52.979 19.764 1.00 70.42 ATOM 2079 HH21 ARG 124 9.775 -53.432 18.917 1.00 70.55 ATOM 2080 HH22 ARG 124 9.634 -53.436 20.644 1.00 52.31 ATOM 2081 C ARG 124 4.268 -48.859 18.280 1.00 72.25 ATOM 2082 O ARG 124 3.079 -48.669 18.027 1.00 71.01 ATOM 2083 N GLY 125 4.855 -48.404 19.382 1.00 13.15 ATOM 2084 HN GLY 125 5.800 -48.596 19.553 1.00 37.92 ATOM 2085 CA GLY 125 4.102 -47.644 20.363 1.00 4.52 ATOM 2086 HA1 GLY 125 3.694 -48.328 21.092 1.00 37.92 ATOM 2087 HA2 GLY 125 3.284 -47.120 19.881 1.00 73.01 ATOM 2088 C GLY 125 4.958 -46.621 21.085 1.00 61.41 ATOM 2089 O GLY 125 4.813 -46.420 22.291 1.00 12.33 ATOM 2090 N LEU 126 5.854 -45.975 20.347 1.00 72.33 ATOM 2091 HN LEU 126 5.880 -46.143 19.378 1.00 37.92 ATOM 2092 CA LEU 126 6.738 -44.969 20.924 1.00 43.10 ATOM 2093 HA LEU 126 7.359 -45.454 21.664 1.00 13.10 ATOM 2094 CB LEU 126 7.637 -44.370 19.841 1.00 41.11 ATOM 2095 HB1 LEU 126 8.368 -43.752 20.337 1.00 37.92 ATOM 2096 HB2 LEU 126 7.022 -43.726 19.218 1.00 44.31 ATOM 2097 CG LEU 126 8.365 -45.371 18.943 1.00 32.11 ATOM 2098 HG LEU 126 7.853 -46.320 18.939 1.00 51.01 ATOM 2099 CD1 LEU 126 8.398 -44.874 17.506 1.00 11.12 ATOM 2100 HD11 LEU 126 8.875 -43.904 17.463 1.00 2.42 ATOM 2101 HD12 LEU 126 7.392 -44.799 17.140 1.00 62.51 ATOM 2102 HD13 LEU 126 8.948 -45.573 16.890 1.00 21.31 ATOM 2103 CD2 LEU 126 9.776 -45.620 19.456 1.00 52.11 ATOM 2104 HD21 LEU 126 10.269 -46.347 18.825 1.00 20.03 ATOM 2105 HD22 LEU 126 9.732 -46.000 20.467 1.00 42.20 ATOM 2106 HD23 LEU 126 10.338 -44.696 19.444 1.00 43.54 ATOM 2107 C LEU 126 5.936 -43.864 21.603 1.00 13.13 ATOM 2108 O LEU 126 6.266 -43.433 22.708 1.00 35.23 ATOM 2109 N SER 127 4.879 -43.411 20.936 1.00 44.12 ATOM 2110 HN SER 127 4.664 -43.778 20.048 1.00 37.92 ATOM 2111 CA SER 127 4.030 -42.355 21.474 1.00 1.13 ATOM 2112 HA SER 127 4.322 -42.143 22.495 1.00 61.32 ATOM 2113 CB SER 127 4.188 -41.075 20.651 1.00 34.00 ATOM 2114 HB1 SER 127 5.025 -40.513 21.038 1.00 37.92 ATOM 2115 HB2 SER 127 3.302 -40.470 20.708 1.00 34.45 ATOM 2116 OG SER 127 4.448 -41.373 19.290 1.00 4.34 ATOM 2117 HG SER 127 4.748 -40.580 18.839 1.00 43.42 ATOM 2118 C SER 127 2.567 -42.788 21.487 1.00 2.13 ATOM 2119 O SER 127 2.235 -43.903 21.087 1.00 1.22 ATOM 2120 N ASN 128 1.697 -41.897 21.951 1.00 50.44 ATOM 2121 HN ASN 128 2.007 -41.047 22.263 1.00 37.92 ATOM 2122 CA ASN 128 0.269 -42.186 22.017 1.00 40.40 ATOM 2123 HA ASN 128 0.090 -43.140 21.539 1.00 74.14 ATOM 2124 CB ASN 128 -0.186 -42.281 23.475 1.00 60.03 ATOM 2125 HB1 ASN 128 -0.928 -43.058 23.560 1.00 37.92 ATOM 2126 HB2 ASN 128 -0.624 -41.343 23.795 1.00 33.53 ATOM 2127 CG ASN 128 0.952 -42.630 24.414 1.00 63.31 ATOM 2128 OD1 ASN 128 1.465 -43.749 24.396 1.00 21.44 ATOM 2129 ND2 ASN 128 1.353 -41.671 25.240 1.00 34.15 ATOM 2130 HD21 ASN 128 0.909 -40.794 25.212 1.00 53.12 ATOM 2131 HD22 ASN 128 2.088 -41.879 25.855 1.00 42.30 ATOM 2132 C ASN 128 -0.537 -41.114 21.290 1.00 13.40 ATOM 2133 O ASN 128 -0.081 -39.988 21.089 1.00 60.02 ATOM 2134 N PRO 129 -1.766 -41.469 20.886 1.00 20.45 ATOM 2135 CA PRO 129 -2.663 -40.552 20.177 1.00 63.32 ATOM 2136 HA PRO 129 -2.186 -40.124 19.307 1.00 5.30 ATOM 2137 CB PRO 129 -3.817 -41.455 19.736 1.00 73.31 ATOM 2138 HB1 PRO 129 -3.626 -41.813 18.736 1.00 37.92 ATOM 2139 HB2 PRO 129 -4.757 -40.916 19.752 1.00 21.44 ATOM 2140 CG PRO 129 -3.814 -42.579 20.714 1.00 60.11 ATOM 2141 HG1 PRO 129 -4.217 -43.468 20.253 1.00 37.92 ATOM 2142 HG2 PRO 129 -4.394 -42.310 21.584 1.00 14.15 ATOM 2143 CD PRO 129 -2.375 -42.794 21.092 1.00 23.44 ATOM 2144 HD1 PRO 129 -1.921 -43.533 20.448 1.00 37.92 ATOM 2145 HD2 PRO 129 -2.319 -43.102 22.116 1.00 3.30 ATOM 2146 C PRO 129 -3.176 -39.432 21.075 1.00 24.02 ATOM 2147 O PRO 129 -3.743 -38.451 20.597 1.00 50.11 ATOM 2148 N ASN 130 -2.972 -39.585 22.380 1.00 65.45 ATOM 2149 HN ASN 130 -2.546 -40.397 22.722 1.00 37.92 ATOM 2150 CA ASN 130 -3.414 -38.586 23.345 1.00 1.11 ATOM 2151 HA ASN 130 -4.345 -38.153 22.991 1.00 3.32 ATOM 2152 CB ASN 130 -3.648 -39.235 24.711 1.00 53.52 ATOM 2153 HB1 ASN 130 -3.430 -38.523 25.499 1.00 37.92 ATOM 2154 HB2 ASN 130 -2.993 -40.088 24.828 1.00 1.33 ATOM 2155 CG ASN 130 -5.082 -39.693 24.895 1.00 52.32 ATOM 2156 OD1 ASN 130 -5.955 -38.906 25.263 1.00 44.20 ATOM 2157 ND2 ASN 130 -5.332 -40.972 24.639 1.00 50.41 ATOM 2158 HD21 ASN 130 -4.595 -41.555 24.348 1.00 62.13 ATOM 2159 HD22 ASN 130 -6.253 -41.288 24.752 1.00 23.31 ATOM 2160 C ASN 130 -2.390 -37.462 23.472 1.00 10.04 ATOM 2161 O ASN 130 -2.742 -36.283 23.443 1.00 23.21 ATOM 2162 N GLU 131 -1.122 -37.837 23.613 1.00 13.21 ATOM 2163 HN GLU 131 -0.916 -38.796 23.652 1.00 37.92 ATOM 2164 CA GLU 131 -0.048 -36.860 23.745 1.00 42.10 ATOM 2165 HA GLU 131 -0.325 -36.151 24.515 1.00 21.05 ATOM 2166 CB GLU 131 1.252 -37.551 24.161 1.00 30.54 ATOM 2167 HB1 GLU 131 1.124 -37.952 25.156 1.00 37.92 ATOM 2168 HB2 GLU 131 2.051 -36.819 24.182 1.00 40.41 ATOM 2169 CG GLU 131 1.656 -38.692 23.242 1.00 2.22 ATOM 2170 HG1 GLU 131 1.619 -38.364 22.223 1.00 37.92 ATOM 2171 HG2 GLU 131 0.968 -39.509 23.379 1.00 0.04 ATOM 2172 CD GLU 131 3.055 -39.203 23.527 1.00 1.02 ATOM 2173 OE1 GLU 131 3.262 -39.796 24.606 1.00 22.32 ATOM 2174 OE2 GLU 131 3.943 -39.009 22.670 1.00 32.52 ATOM 2175 C GLU 131 0.163 -36.103 22.437 1.00 54.41 ATOM 2176 O GLU 131 0.506 -34.920 22.439 1.00 13.44 ATOM 2177 N LEU 132 -0.045 -36.793 21.321 1.00 43.31 ATOM 2178 HN LEU 132 -0.302 -37.743 21.374 1.00 37.92 ATOM 2179 CA LEU 132 0.122 -36.187 20.004 1.00 4.25 ATOM 2180 HA LEU 132 1.167 -35.969 19.872 1.00 21.11 ATOM 2181 CB LEU 132 -0.334 -37.157 18.913 1.00 3.12 ATOM 2182 HB1 LEU 132 -1.360 -37.431 19.124 1.00 37.92 ATOM 2183 HB2 LEU 132 0.275 -38.049 18.985 1.00 11.14 ATOM 2184 CG LEU 132 -0.261 -36.635 17.478 1.00 55.41 ATOM 2185 HG LEU 132 -0.870 -35.759 17.394 1.00 74.34 ATOM 2186 CD1 LEU 132 1.170 -36.273 17.113 1.00 71.02 ATOM 2187 HD11 LEU 132 1.552 -35.529 17.796 1.00 71.21 ATOM 2188 HD12 LEU 132 1.192 -35.871 16.109 1.00 4.24 ATOM 2189 HD13 LEU 132 1.792 -37.155 17.154 1.00 1.21 ATOM 2190 CD2 LEU 132 -0.817 -37.666 16.507 1.00 53.25 ATOM 2191 HD21 LEU 132 -1.843 -37.890 16.764 1.00 32.03 ATOM 2192 HD22 LEU 132 -0.229 -38.572 16.559 1.00 3.11 ATOM 2193 HD23 LEU 132 -0.781 -37.273 15.500 1.00 42.44 ATOM 2194 C LEU 132 -0.662 -34.883 19.902 1.00 50.33 ATOM 2195 O LEU 132 -0.110 -33.842 19.544 1.00 21.55 ATOM 2196 N GLN 133 -1.951 -34.947 20.219 1.00 10.23 ATOM 2197 HN GLN 133 -2.337 -35.813 20.496 1.00 37.92 ATOM 2198 CA GLN 133 -2.810 -33.770 20.164 1.00 74.20 ATOM 2199 HA GLN 133 -2.866 -33.455 19.131 1.00 74.22 ATOM 2200 CB GLN 133 -4.214 -34.114 20.665 1.00 11.23 ATOM 2201 HB1 GLN 133 -4.195 -34.221 21.742 1.00 37.92 ATOM 2202 HB2 GLN 133 -4.516 -35.059 20.232 1.00 13.12 ATOM 2203 CG GLN 133 -5.260 -33.070 20.309 1.00 40.24 ATOM 2204 HG1 GLN 133 -4.924 -32.101 20.654 1.00 37.92 ATOM 2205 HG2 GLN 133 -6.182 -33.325 20.811 1.00 41.51 ATOM 2206 CD GLN 133 -5.531 -33.000 18.819 1.00 62.44 ATOM 2207 OE1 GLN 133 -6.322 -33.777 18.283 1.00 62.32 ATOM 2208 NE2 GLN 133 -4.874 -32.067 18.140 1.00 10.21 ATOM 2209 HE21 GLN 133 -4.253 -31.473 18.620 1.00 4.21 ATOM 2210 HE22 GLN 133 -5.036 -32.006 17.175 1.00 73.02 ATOM 2211 C GLN 133 -2.227 -32.630 20.992 1.00 23.32 ATOM 2212 O GLN 133 -2.115 -31.500 20.519 1.00 61.04 ATOM 2213 N ALA 134 -1.856 -32.935 22.232 1.00 73.44 ATOM 2214 HN ALA 134 -1.973 -33.860 22.557 1.00 37.92 ATOM 2215 CA ALA 134 -1.283 -31.937 23.125 1.00 4.21 ATOM 2216 HA ALA 134 -1.999 -31.133 23.238 1.00 14.53 ATOM 2217 CB ALA 134 -1.034 -32.539 24.500 1.00 34.30 ATOM 2218 HB1 ALA 134 -0.663 -31.776 25.170 1.00 43.23 ATOM 2219 HB2 ALA 134 -0.307 -33.336 24.423 1.00 2.03 ATOM 2220 HB3 ALA 134 -1.960 -32.937 24.889 1.00 71.40 ATOM 2221 C ALA 134 0.011 -31.367 22.553 1.00 24.45 ATOM 2222 O ALA 134 0.319 -30.191 22.741 1.00 10.21 ATOM 2223 N ALA 135 0.766 -32.210 21.856 1.00 70.21 ATOM 2224 HN ALA 135 0.480 -33.148 21.749 1.00 37.92 ATOM 2225 CA ALA 135 2.026 -31.790 21.256 1.00 2.00 ATOM 2226 HA ALA 135 2.648 -31.364 22.034 1.00 55.52 ATOM 2227 CB ALA 135 2.761 -32.990 20.676 1.00 13.32 ATOM 2228 HB1 ALA 135 3.704 -32.675 20.255 1.00 22.32 ATOM 2229 HB2 ALA 135 2.166 -33.449 19.906 1.00 73.41 ATOM 2230 HB3 ALA 135 2.941 -33.702 21.464 1.00 32.41 ATOM 2231 C ALA 135 1.797 -30.736 20.178 1.00 75.21 ATOM 2232 O ALA 135 2.431 -29.681 20.183 1.00 64.20 ATOM 2233 N ILE 136 0.886 -31.029 19.255 1.00 25.22 ATOM 2234 HN ILE 136 0.408 -31.891 19.304 1.00 37.92 ATOM 2235 CA ILE 136 0.574 -30.106 18.171 1.00 33.23 ATOM 2236 HA ILE 136 1.491 -29.886 17.637 1.00 45.14 ATOM 2237 CB ILE 136 -0.429 -30.723 17.178 1.00 10.03 ATOM 2238 HB ILE 136 -1.319 -30.990 17.730 1.00 60.12 ATOM 2239 CG1 ILE 136 0.173 -31.964 16.516 1.00 22.15 ATOM 2240 HG11 ILE 136 1.172 -32.136 16.896 1.00 37.92 ATOM 2241 HG12 ILE 136 0.236 -31.832 15.444 1.00 22.15 ATOM 2242 CG2 ILE 136 -0.832 -29.699 16.128 1.00 53.10 ATOM 2243 HG21 ILE 136 -1.743 -29.217 16.450 1.00 32.51 ATOM 2244 HG22 ILE 136 -1.010 -30.171 15.170 1.00 74.20 ATOM 2245 HG23 ILE 136 -0.069 -28.950 16.020 1.00 40.01 ATOM 2246 CD1 ILE 136 -0.622 -33.227 16.765 1.00 44.02 ATOM 2247 HD11 ILE 136 -1.366 -33.076 17.536 1.00 50.23 ATOM 2248 HD12 ILE 136 0.055 -33.983 17.080 1.00 74.14 ATOM 2249 HD13 ILE 136 -1.107 -33.536 15.852 1.00 61.41 ATOM 2250 C ILE 136 0.000 -28.800 18.710 1.00 4.10 ATOM 2251 O ILE 136 0.461 -27.715 18.355 1.00 50.30 ATOM 2252 N ASP 137 -1.006 -28.912 19.570 1.00 22.10 ATOM 2253 HN ASP 137 -1.336 -29.811 19.812 1.00 37.92 ATOM 2254 CA ASP 137 -1.641 -27.740 20.161 1.00 41.20 ATOM 2255 HA ASP 137 -2.107 -27.175 19.365 1.00 74.11 ATOM 2256 CB ASP 137 -2.718 -28.166 21.160 1.00 5.03 ATOM 2257 HB1 ASP 137 -2.277 -28.822 21.897 1.00 37.92 ATOM 2258 HB2 ASP 137 -3.498 -28.697 20.634 1.00 70.33 ATOM 2259 CG ASP 137 -3.343 -26.985 21.876 1.00 30.01 ATOM 2260 OD1 ASP 137 -4.130 -26.253 21.239 1.00 62.41 ATOM 2261 OD2 ASP 137 -3.047 -26.793 23.074 1.00 44.24 ATOM 2262 C ASP 137 -0.610 -26.854 20.853 1.00 44.35 ATOM 2263 O ASP 137 -0.589 -25.639 20.655 1.00 5.25 ATOM 2264 N SER 138 0.244 -27.470 21.664 1.00 34.12 ATOM 2265 HN SER 138 0.175 -28.447 21.787 1.00 37.92 ATOM 2266 CA SER 138 1.275 -26.737 22.389 1.00 14.32 ATOM 2267 HA SER 138 0.785 -26.061 23.076 1.00 63.13 ATOM 2268 CB SER 138 2.152 -27.703 23.187 1.00 21.12 ATOM 2269 HB1 SER 138 3.006 -27.174 23.593 1.00 37.92 ATOM 2270 HB2 SER 138 2.497 -28.493 22.537 1.00 12.32 ATOM 2271 OG SER 138 1.430 -28.279 24.262 1.00 52.21 ATOM 2272 HG SER 138 0.876 -28.991 23.937 1.00 2.21 ATOM 2273 C SER 138 2.138 -25.922 21.430 1.00 15.14 ATOM 2274 O SER 138 2.683 -24.883 21.800 1.00 64.23 ATOM 2275 N ASN 139 2.255 -26.402 20.197 1.00 64.22 ATOM 2276 HN ASN 139 1.840 -27.257 19.963 1.00 37.92 ATOM 2277 CA ASN 139 3.052 -25.720 19.184 1.00 41.43 ATOM 2278 HA ASN 139 3.930 -25.299 19.664 1.00 22.41 ATOM 2279 CB ASN 139 3.493 -26.707 18.101 1.00 10.22 ATOM 2280 HB1 ASN 139 3.563 -26.202 17.145 1.00 37.92 ATOM 2281 HB2 ASN 139 2.778 -27.507 18.018 1.00 21.01 ATOM 2282 CG ASN 139 4.848 -27.321 18.396 1.00 72.20 ATOM 2283 OD1 ASN 139 5.831 -27.042 17.710 1.00 71.25 ATOM 2284 ND2 ASN 139 4.905 -28.163 19.421 1.00 10.05 ATOM 2285 HD21 ASN 139 4.086 -28.349 19.934 1.00 74.25 ATOM 2286 HD22 ASN 139 5.772 -28.571 19.628 1.00 74.03 ATOM 2287 C ASN 139 2.265 -24.574 18.553 1.00 24.45 ATOM 2288 O ASN 139 2.790 -23.476 18.367 1.00 32.31 ATOM 2289 N ARG 140 1.004 -24.839 18.228 1.00 3.21 ATOM 2290 HN ARG 140 0.639 -25.734 18.421 1.00 37.92 ATOM 2291 CA ARG 140 0.145 -23.831 17.618 1.00 22.03 ATOM 2292 HA ARG 140 0.603 -23.514 16.691 1.00 32.34 ATOM 2293 CB ARG 140 -1.232 -24.423 17.310 1.00 4.43 ATOM 2294 HB1 ARG 140 -1.777 -23.716 16.705 1.00 37.92 ATOM 2295 HB2 ARG 140 -1.767 -24.566 18.243 1.00 4.01 ATOM 2296 CG ARG 140 -1.173 -25.768 16.606 1.00 64.13 ATOM 2297 HG1 ARG 140 -1.272 -26.544 17.345 1.00 37.92 ATOM 2298 HG2 ARG 140 -0.230 -25.877 16.087 1.00 32.13 ATOM 2299 CD ARG 140 -2.302 -25.920 15.599 1.00 13.21 ATOM 2300 HD1 ARG 140 -3.247 -25.862 16.121 1.00 37.92 ATOM 2301 HD2 ARG 140 -2.213 -26.888 15.126 1.00 44.30 ATOM 2302 NE ARG 140 -2.262 -24.884 14.571 1.00 43.15 ATOM 2303 HE ARG 140 -1.564 -24.192 14.633 1.00 40.53 ATOM 2304 CZ ARG 140 -3.108 -24.830 13.548 1.00 0.10 ATOM 2305 NH1 ARG 140 -4.056 -25.748 13.419 1.00 40.23 ATOM 2306 HH11 ARG 140 -4.153 -26.491 14.080 1.00 21.25 ATOM 2307 HH12 ARG 140 -4.690 -25.700 12.644 1.00 23.25 ATOM 2308 NH2 ARG 140 -3.007 -23.856 12.653 1.00 52.15 ATOM 2309 HH21 ARG 140 -2.293 -23.159 12.746 1.00 70.11 ATOM 2310 HH22 ARG 140 -3.644 -23.813 11.880 1.00 33.35 ATOM 2311 C ARG 140 -0.003 -22.618 18.532 1.00 34.23 ATOM 2312 O ARG 140 0.067 -21.475 18.080 1.00 70.40 ATOM 2313 N ARG 141 -0.210 -22.876 19.820 1.00 43.33 ATOM 2314 HN ARG 141 -0.273 -23.813 20.124 1.00 37.92 ATOM 2315 CA ARG 141 -0.370 -21.806 20.797 1.00 40.53 ATOM 2316 HA ARG 141 -1.295 -21.292 20.574 1.00 41.34 ATOM 2317 CB ARG 141 -0.446 -22.384 22.211 1.00 61.22 ATOM 2318 HB1 ARG 141 0.531 -22.746 22.505 1.00 37.92 ATOM 2319 HB2 ARG 141 -1.134 -23.221 22.195 1.00 24.50 ATOM 2320 CG ARG 141 -0.920 -21.385 23.253 1.00 1.22 ATOM 2321 HG1 ARG 141 -1.692 -20.756 22.826 1.00 37.92 ATOM 2322 HG2 ARG 141 -0.084 -20.773 23.556 1.00 35.13 ATOM 2323 CD ARG 141 -1.485 -22.085 24.479 1.00 14.42 ATOM 2324 HD1 ARG 141 -0.667 -22.498 25.050 1.00 37.92 ATOM 2325 HD2 ARG 141 -2.142 -22.886 24.159 1.00 73.52 ATOM 2326 NE ARG 141 -2.243 -21.171 25.330 1.00 3.24 ATOM 2327 HE ARG 141 -2.257 -20.216 25.085 1.00 44.55 ATOM 2328 CZ ARG 141 -2.909 -21.557 26.413 1.00 42.31 ATOM 2329 NH1 ARG 141 -2.911 -22.832 26.774 1.00 21.35 ATOM 2330 HH11 ARG 141 -2.418 -23.523 26.247 1.00 54.33 ATOM 2331 HH12 ARG 141 -3.416 -23.114 27.592 1.00 73.12 ATOM 2332 NH2 ARG 141 -3.574 -20.666 27.137 1.00 55.35 ATOM 2333 HH21 ARG 141 -3.576 -19.700 26.870 1.00 30.12 ATOM 2334 HH22 ARG 141 -4.077 -20.955 27.954 1.00 45.02 ATOM 2335 C ARG 141 0.781 -20.808 20.705 1.00 64.42 ATOM 2336 O ARG 141 0.566 -19.597 20.700 1.00 3.10 ATOM 2337 N GLU 142 2.003 -21.328 20.632 1.00 10.25 ATOM 2338 HN GLU 142 2.115 -22.309 20.650 1.00 37.92 ATOM 2339 CA GLU 142 3.188 -20.482 20.542 1.00 34.42 ATOM 2340 HA GLU 142 3.256 -19.913 21.463 1.00 64.01 ATOM 2341 CB GLU 142 4.445 -21.342 20.394 1.00 12.03 ATOM 2342 HB1 GLU 142 5.237 -20.728 19.981 1.00 37.92 ATOM 2343 HB2 GLU 142 4.242 -22.148 19.709 1.00 24.14 ATOM 2344 CG GLU 142 4.928 -21.943 21.703 1.00 24.42 ATOM 2345 HG1 GLU 142 4.394 -22.865 21.878 1.00 37.92 ATOM 2346 HG2 GLU 142 4.728 -21.253 22.513 1.00 40.14 ATOM 2347 CD GLU 142 6.415 -22.241 21.694 1.00 2.14 ATOM 2348 OE1 GLU 142 7.168 -21.488 21.042 1.00 53.21 ATOM 2349 OE2 GLU 142 6.826 -23.227 22.341 1.00 60.41 ATOM 2350 C GLU 142 3.078 -19.516 19.366 1.00 11.24 ATOM 2351 O GLU 142 3.055 -19.930 18.208 1.00 32.03 ATOM 2352 N GLY 143 3.010 -18.224 19.674 1.00 10.01 ATOM 2353 HN GLY 143 3.031 -17.938 20.615 1.00 37.92 ATOM 2354 CA GLY 143 2.903 -17.218 18.633 1.00 33.34 ATOM 2355 HA1 GLY 143 3.616 -17.436 17.847 1.00 37.92 ATOM 2356 HA2 GLY 143 3.150 -16.255 19.059 1.00 40.50 ATOM 2357 C GLY 143 1.514 -17.156 18.028 1.00 65.42 ATOM 2358 O GLY 143 1.143 -18.010 17.222 1.00 41.32 ATOM 2359 N ARG 144 0.745 -16.145 18.418 1.00 60.45 ATOM 2360 HN ARG 144 1.094 -15.483 19.060 1.00 37.92 ATOM 2361 CA ARG 144 -0.611 -15.977 17.910 1.00 72.53 ATOM 2362 HA ARG 144 -0.891 -16.851 17.334 1.00 74.05 ATOM 2363 CB ARG 144 -1.598 -15.829 19.069 1.00 10.41 ATOM 2364 HB1 ARG 144 -2.583 -15.630 18.667 1.00 37.92 ATOM 2365 HB2 ARG 144 -1.301 -14.982 19.664 1.00 74.42 ATOM 2366 CG ARG 144 -1.707 -17.070 19.939 1.00 2.15 ATOM 2367 HG1 ARG 144 -1.516 -17.955 19.345 1.00 37.92 ATOM 2368 HG2 ARG 144 -2.707 -17.121 20.342 1.00 23.12 ATOM 2369 CD ARG 144 -0.720 -17.028 21.096 1.00 41.13 ATOM 2370 HD1 ARG 144 0.287 -16.997 20.713 1.00 37.92 ATOM 2371 HD2 ARG 144 -0.857 -17.931 21.673 1.00 42.44 ATOM 2372 NE ARG 144 -0.944 -15.876 21.965 1.00 33.12 ATOM 2373 HE ARG 144 -1.516 -15.146 21.640 1.00 14.34 ATOM 2374 CZ ARG 144 -0.426 -15.763 23.183 1.00 50.30 ATOM 2375 NH1 ARG 144 0.343 -16.726 23.672 1.00 13.22 ATOM 2376 HH11 ARG 144 0.552 -17.547 23.146 1.00 34.33 ATOM 2377 HH12 ARG 144 0.726 -16.632 24.593 1.00 32.31 ATOM 2378 NH2 ARG 144 -0.676 -14.684 23.914 1.00 50.21 ATOM 2379 HH21 ARG 144 -1.256 -13.952 23.550 1.00 1.43 ATOM 2380 HH22 ARG 144 -0.287 -14.596 24.833 1.00 23.41 ATOM 2381 C ARG 144 -0.701 -14.762 16.992 1.00 54.04 ATOM 2382 O ARG 144 0.275 -14.034 16.811 1.00 61.51 ATOM 2383 N ARG 145 -1.879 -14.549 16.414 1.00 34.13 ATOM 2384 HN ARG 145 -2.621 -15.177 16.583 1.00 37.92 ATOM 2385 HA ARG 145 -1.470 -13.568 14.643 1.00 43.34 ATOM 2386 CB ARG 145 -3.562 -13.365 15.080 1.00 73.22 ATOM 2387 HB1 ARG 145 -3.814 -12.345 14.805 1.00 37.92 ATOM 2388 HB2 ARG 145 -4.189 -13.665 15.909 1.00 2.14 ATOM 2389 CG ARG 145 -3.882 -14.260 13.894 1.00 72.04 ATOM 2390 HG1 ARG 145 -3.753 -15.291 14.192 1.00 37.92 ATOM 2391 HG2 ARG 145 -3.203 -14.030 13.085 1.00 3.15 ATOM 2392 CD ARG 145 -5.309 -14.054 13.409 1.00 43.22 ATOM 2393 HD1 ARG 145 -5.324 -13.215 12.729 1.00 37.92 ATOM 2394 HD2 ARG 145 -5.952 -13.841 14.256 1.00 72.01 ATOM 2395 NE ARG 145 -5.828 -15.231 12.718 1.00 23.32 ATOM 2396 HE ARG 145 -5.222 -15.999 12.595 1.00 31.14 ATOM 2397 CZ ARG 145 -7.067 -15.321 12.248 1.00 43.44 ATOM 2398 NH1 ARG 145 -7.909 -14.307 12.392 1.00 0.12 ATOM 2399 HH11 ARG 145 -7.633 -13.464 12.851 1.00 51.30 ATOM 2400 HH12 ARG 145 -8.842 -14.383 12.034 1.00 71.22 ATOM 2401 NH2 ARG 145 -7.465 -16.426 11.630 1.00 12.54 ATOM 2402 HH21 ARG 145 -6.833 -17.195 11.516 1.00 10.33 ATOM 2403 HH22 ARG 145 -8.400 -16.496 11.275 1.00 43.22 ATOM 2404 CA ARG 145 -2.097 -13.423 15.514 1.00 65.22 ATOM 2405 C ARG 145 -1.700 -12.109 16.181 1.00 61.33 ATOM 2406 OT1 ARG 145 -0.858 -11.385 15.607 1.00 37.92 ATOM 2407 OT2 ARG 145 -2.224 -11.816 17.279 1.00 37.92 ATOM 2408 OH2 TIP3 1 -10.375 -59.096 -1.366 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -10.413 -59.742 -0.661 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -10.698 -59.562 -2.137 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -6.669 -56.157 -3.064 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -7.110 -56.877 -2.614 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -6.682 -55.436 -2.434 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -11.986 -56.663 -0.960 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -11.682 -57.349 -1.554 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -11.264 -56.545 -0.342 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -7.905 -52.536 -4.091 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -7.480 -53.243 -4.576 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -7.588 -51.735 -4.508 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -6.746 -54.635 -5.582 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -7.003 -55.325 -6.194 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -6.675 -55.078 -4.737 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -3.218 -59.729 0.961 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -3.870 -59.034 1.050 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -2.753 -59.519 0.151 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -7.284 -60.723 2.687 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -7.204 -59.960 3.259 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -7.885 -60.444 1.996 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -8.860 -53.995 -0.131 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -9.101 -53.333 0.517 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -9.058 -54.829 0.294 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -14.289 -55.099 3.852 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -14.601 -54.317 4.308 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -14.939 -55.252 3.166 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -10.584 -52.998 -5.261 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -10.110 -52.703 -4.483 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -11.147 -52.260 -5.494 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -16.050 -53.027 4.616 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -16.042 -53.163 3.668 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -16.966 -53.145 4.868 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -11.526 -53.814 3.348 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -11.439 -52.988 3.823 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -12.390 -54.144 3.597 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -11.112 -50.042 -6.846 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -11.187 -50.163 -7.792 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -11.079 -49.092 -6.727 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -8.341 -50.962 -7.094 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -9.276 -50.862 -6.915 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -8.061 -51.671 -6.516 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -5.353 -61.895 4.952 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -5.760 -61.414 4.232 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -5.312 -62.800 4.645 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -10.859 -61.263 5.257 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -11.422 -61.967 5.577 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -10.033 -61.383 5.724 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -9.693 -60.354 1.254 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -9.369 -60.985 0.611 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -10.133 -60.889 1.915 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -10.905 -56.854 3.261 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -11.251 -57.235 4.067 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -11.105 -55.920 3.332 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -7.468 -58.553 -0.935 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -8.396 -58.785 -0.962 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -7.017 -59.330 -1.265 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -12.983 -52.413 1.089 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -12.620 -51.558 0.856 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -12.451 -52.705 1.830 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -2.732 -50.905 -9.935 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -1.989 -50.319 -10.075 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -3.427 -50.337 -9.602 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -6.597 -60.764 -2.396 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -7.394 -61.179 -2.725 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -6.152 -61.455 -1.905 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -15.199 -51.918 7.074 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -14.431 -52.377 7.415 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -15.220 -52.144 6.144 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -13.234 -57.057 5.841 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -13.562 -56.786 4.983 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -13.082 -57.998 5.753 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -10.090 -58.347 6.480 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -9.137 -58.263 6.452 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -10.250 -59.058 7.099 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -12.776 -59.654 2.017 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -12.025 -59.810 1.444 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -13.115 -58.802 1.741 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -7.044 -59.050 5.123 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -7.325 -58.341 4.545 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -6.101 -59.123 4.972 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -4.442 -58.700 4.555 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -3.859 -59.434 4.746 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -3.878 -57.928 4.601 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -2.945 -60.797 5.239 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -3.808 -61.176 5.074 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -2.341 -61.536 5.165 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -4.947 -61.769 1.590 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -5.790 -61.501 1.956 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -4.504 -60.947 1.379 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -6.056 -50.768 -4.973 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -5.403 -51.115 -5.581 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -5.545 -50.279 -4.327 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -11.137 -50.120 0.082 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -11.594 -49.591 -0.572 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -10.974 -49.517 0.807 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -14.222 -51.805 -1.710 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -14.009 -52.693 -1.997 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -14.157 -51.839 -0.755 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -4.076 -50.988 -6.965 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -4.270 -51.736 -7.530 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -4.115 -50.230 -7.549 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -6.669 -56.157 15.792 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -7.110 -56.877 16.242 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -6.682 -55.436 16.422 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -9.558 -51.052 16.004 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -8.938 -51.729 15.731 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -9.766 -51.270 16.912 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -9.511 -55.750 13.114 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -9.807 -56.072 12.263 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -9.835 -54.850 13.156 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -6.157 -54.317 18.140 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -7.099 -54.259 18.301 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -5.881 -53.411 18.003 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -7.905 -52.536 14.765 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -7.480 -53.243 14.280 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -7.588 -51.735 14.348 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -6.746 -54.635 13.274 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -7.003 -55.325 12.662 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -6.675 -55.078 14.119 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -7.181 -58.897 12.475 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -7.913 -58.669 13.048 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -6.734 -59.611 12.930 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -8.860 -53.995 18.725 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -9.101 -53.333 19.373 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -9.058 -54.829 19.150 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -10.584 -52.998 13.595 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -10.110 -52.703 14.373 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -11.147 -52.260 13.362 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -11.112 -50.042 12.010 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -11.187 -50.163 11.064 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -11.079 -49.092 12.129 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -8.341 -50.962 11.762 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -9.276 -50.862 11.941 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -8.061 -51.671 12.340 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -6.833 -58.702 7.790 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -6.791 -58.925 6.860 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -5.984 -58.304 7.980 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -10.299 -55.579 9.905 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -10.594 -54.753 10.287 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -11.002 -56.199 10.101 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -7.236 -55.385 8.720 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -6.883 -55.765 9.524 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -8.185 -55.478 8.806 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -6.370 -56.712 10.946 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -6.647 -57.440 11.502 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -5.443 -56.593 11.152 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -13.145 -54.273 7.167 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -12.906 -55.021 6.619 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -13.414 -54.661 7.999 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -14.208 -54.703 9.623 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -14.061 -55.223 10.413 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -14.211 -53.796 9.929 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -11.470 -53.005 10.372 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -12.287 -52.508 10.425 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -10.941 -52.530 9.732 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -14.132 -51.962 10.354 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -13.971 -51.162 9.853 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -14.329 -51.655 11.239 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -5.510 -51.508 18.082 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -5.666 -50.830 17.425 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -4.578 -51.436 18.285 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -10.196 -55.636 7.132 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -10.464 -55.456 8.033 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -10.402 -56.562 7.001 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -3.938 -58.113 7.410 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -4.211 -58.538 6.597 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -3.898 -57.182 7.193 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -13.430 -49.777 8.966 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -12.497 -49.619 9.110 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -13.694 -49.102 8.341 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -2.794 -50.858 18.311 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -2.816 -50.673 19.250 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -2.104 -50.289 17.970 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -3.231 -51.291 21.233 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -3.718 -52.026 20.862 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -2.682 -51.684 21.911 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -3.479 -57.244 11.385 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -2.629 -56.823 11.513 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -3.474 -57.984 11.993 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -3.085 -59.191 13.209 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -3.811 -59.670 13.607 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -2.504 -58.985 13.941 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -3.326 -56.406 18.157 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -2.492 -56.784 17.876 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -3.214 -55.463 18.038 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -4.839 -53.528 20.464 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -5.487 -53.203 21.089 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -5.357 -53.968 19.789 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -2.817 -59.290 9.600 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -3.338 -58.933 8.881 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -2.850 -58.615 10.278 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -6.205 -49.672 20.178 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -6.387 -48.756 19.967 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -6.029 -50.082 19.331 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -6.669 -37.301 -21.920 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -7.110 -38.021 -21.470 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -6.682 -36.580 -21.290 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -3.323 -46.206 -18.955 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -3.274 -45.596 -18.219 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -2.897 -45.745 -19.678 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -8.845 -43.413 -19.488 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -8.702 -44.360 -19.468 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -8.951 -43.206 -20.417 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -6.204 -45.890 -21.834 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -6.419 -46.656 -21.302 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -5.548 -45.418 -21.321 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -6.157 -35.461 -19.572 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -7.099 -35.403 -19.411 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -5.881 -34.555 -19.709 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -5.857 -47.175 -18.155 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -6.593 -46.564 -18.193 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -5.173 -46.760 -18.681 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -7.284 -41.867 -16.169 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -7.204 -41.104 -15.597 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -7.885 -41.588 -16.860 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -8.860 -35.139 -18.987 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -9.101 -34.477 -18.339 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -9.058 -35.973 -18.562 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -5.353 -43.039 -13.904 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -5.760 -42.558 -14.624 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -5.312 -43.944 -14.211 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -7.596 -44.707 -15.683 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -8.110 -44.833 -14.886 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -7.751 -43.795 -15.928 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -8.957 -43.136 -22.273 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -9.152 -42.531 -22.988 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -8.775 -43.970 -22.708 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -9.693 -41.498 -17.602 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -9.369 -42.129 -18.245 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -10.133 -42.033 -16.941 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -8.510 -46.336 -19.554 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -9.187 -46.205 -18.890 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -8.996 -46.491 -20.364 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -5.223 -30.664 -13.277 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -5.023 -30.240 -14.112 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -4.567 -30.321 -12.670 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -8.655 -35.536 -15.645 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -9.556 -35.353 -15.913 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -8.621 -35.277 -14.724 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -7.468 -39.697 -19.791 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -8.396 -39.929 -19.818 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -7.017 -40.474 -20.121 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -9.439 -37.458 -18.066 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -9.865 -37.685 -17.240 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -8.858 -38.196 -18.249 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -6.780 -32.906 -15.597 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -7.382 -33.461 -16.092 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -6.499 -32.239 -16.223 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -5.199 -45.659 -15.348 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -6.115 -45.396 -15.436 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -4.863 -45.662 -16.245 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -6.597 -41.908 -21.252 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -7.394 -42.323 -21.581 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -6.152 -42.599 -20.761 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -5.510 -32.652 -19.630 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -5.666 -31.974 -20.287 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -4.578 -32.580 -19.427 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -8.622 -34.682 -13.053 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -8.973 -35.538 -12.810 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -7.896 -34.539 -12.446 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -7.499 -38.285 -15.632 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -6.754 -37.697 -15.752 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -8.256 -37.703 -15.569 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -7.044 -40.194 -13.733 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -7.325 -39.485 -14.311 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -6.101 -40.267 -13.884 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -4.780 -36.645 -11.841 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -5.646 -36.750 -11.447 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -4.404 -35.886 -11.394 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -3.085 -40.335 -24.503 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -3.811 -40.814 -24.105 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -2.504 -40.129 -23.771 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -5.298 -41.814 -23.940 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -5.448 -42.759 -23.960 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -5.652 -41.533 -23.096 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -4.442 -39.844 -14.301 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -3.859 -40.578 -14.110 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -3.878 -39.072 -14.255 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -2.945 -41.941 -13.617 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -3.808 -42.320 -13.782 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -2.341 -42.680 -13.691 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -2.664 -48.933 -11.912 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -2.314 -49.587 -12.518 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -2.517 -48.096 -12.352 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -3.144 -46.824 -13.563 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -4.061 -46.553 -13.599 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -3.021 -47.359 -14.347 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -9.061 -31.324 -14.824 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -8.384 -31.956 -15.064 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -8.739 -30.922 -14.016 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -4.143 -48.734 -15.744 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -4.956 -48.409 -16.132 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -3.910 -49.494 -16.277 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -8.810 -32.386 -17.829 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -9.714 -32.221 -18.095 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -8.381 -31.533 -17.895 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -6.205 -30.816 -17.534 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -6.387 -29.900 -17.745 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -6.029 -31.226 -18.381 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -4.858 -33.381 -13.671 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -5.640 -33.567 -14.191 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -4.930 -32.452 -13.454 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -9.558 -32.196 -2.852 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -8.938 -32.873 -3.125 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -9.766 -32.414 -1.944 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -11.986 -37.807 -0.960 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -11.682 -38.493 -1.554 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -11.264 -37.689 -0.342 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -7.968 -45.181 -4.959 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -7.322 -45.510 -4.334 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -7.458 -44.663 -5.582 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -13.914 -41.365 -3.382 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -13.298 -41.891 -2.873 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -14.500 -42.005 -3.786 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -9.511 -36.894 -5.742 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -9.807 -37.216 -6.593 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -9.835 -35.994 -5.700 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -14.311 -38.718 1.002 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -15.051 -38.120 1.105 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -13.597 -38.164 0.686 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -12.854 -49.088 -1.833 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -12.971 -50.037 -1.887 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -13.709 -48.756 -1.560 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -10.587 -40.251 -7.333 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -11.299 -39.716 -7.684 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -9.896 -40.195 -7.993 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -14.169 -35.983 -1.817 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -14.264 -36.561 -2.574 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -13.440 -36.354 -1.321 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -15.169 -40.642 -0.865 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -14.604 -40.521 -1.628 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -14.850 -40.005 -0.226 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -8.860 -35.139 -0.131 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -9.101 -34.477 0.517 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -9.058 -35.973 0.294 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -8.310 -40.879 -8.696 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -7.731 -40.729 -7.949 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -7.896 -40.408 -9.419 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -10.584 -34.142 -5.261 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -10.110 -33.847 -4.483 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -11.147 -33.404 -5.494 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -4.612 -49.129 -8.883 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -5.511 -48.990 -8.588 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -4.360 -48.298 -9.285 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -3.422 -34.763 -10.506 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -3.349 -33.824 -10.336 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -2.517 -35.068 -10.563 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -11.112 -31.186 -6.846 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -11.187 -31.307 -7.792 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -11.079 -30.236 -6.727 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -8.010 -32.032 -9.843 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -7.635 -32.776 -10.314 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -8.006 -32.302 -8.925 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -8.341 -32.106 -7.094 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -9.276 -32.006 -6.915 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -8.061 -32.815 -6.516 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -6.833 -39.846 -11.066 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -6.791 -40.069 -11.996 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -5.984 -39.448 -10.876 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -15.494 -43.219 0.040 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -16.136 -43.260 0.749 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -15.457 -42.293 -0.198 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -9.961 -42.582 -6.231 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -10.370 -41.767 -6.523 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -9.241 -42.722 -6.846 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -12.915 -45.571 -3.962 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -13.826 -45.514 -3.673 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -12.410 -45.631 -3.151 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -5.223 -30.664 5.579 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -5.023 -30.240 4.744 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -4.567 -30.321 6.186 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -11.595 -42.783 -2.075 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -11.031 -43.330 -2.622 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -11.743 -43.305 -1.286 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -12.969 -44.395 0.339 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -13.804 -43.941 0.449 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -12.445 -44.119 1.091 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -12.425 -38.182 -7.976 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -13.169 -38.689 -8.299 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -12.559 -38.133 -7.030 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -8.527 -45.368 -9.777 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -9.465 -45.256 -9.928 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -8.230 -44.511 -9.471 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -10.905 -37.998 3.261 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -11.251 -38.379 4.067 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -11.105 -37.064 3.332 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -7.809 -43.501 -8.116 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -6.917 -43.638 -7.797 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -7.752 -42.710 -8.653 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -10.299 -36.723 -8.951 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -10.594 -35.897 -8.569 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -11.002 -37.343 -8.755 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -13.275 -40.909 5.321 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -13.571 -41.075 4.426 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -12.344 -41.129 5.311 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -8.655 -35.536 3.211 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -9.556 -35.353 2.943 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -8.621 -35.277 4.132 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -2.924 -43.291 -8.422 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -3.478 -43.687 -9.094 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -2.823 -42.381 -8.699 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -13.498 -37.706 -5.226 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -13.739 -36.781 -5.184 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -14.238 -38.165 -4.830 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -9.439 -37.458 0.790 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -9.865 -37.685 1.616 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -8.858 -38.196 0.607 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -7.236 -36.529 -10.136 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -6.883 -36.909 -9.332 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -8.185 -36.622 -10.050 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -6.780 -32.906 3.259 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -7.382 -33.461 2.764 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -6.499 -32.239 2.633 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -2.732 -32.049 -9.935 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -1.989 -31.463 -10.075 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -3.427 -31.481 -9.602 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -6.370 -37.856 -7.910 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -6.647 -38.584 -7.354 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -5.443 -37.737 -7.704 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -9.139 -46.280 -7.347 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -8.919 -45.808 -8.150 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -8.581 -45.885 -6.676 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -11.939 -44.552 -6.512 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -11.127 -44.048 -6.466 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -12.184 -44.697 -5.598 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -11.055 -47.471 -5.574 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -11.402 -46.853 -4.929 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -10.397 -46.970 -6.055 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -8.622 -34.682 5.803 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -8.973 -35.538 6.046 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -7.896 -34.539 6.410 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -6.503 -33.737 -11.317 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -6.220 -34.531 -10.864 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -5.763 -33.504 -11.878 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -13.234 -38.201 5.841 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -13.562 -37.930 4.983 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -13.082 -39.142 5.753 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -7.499 -38.285 3.224 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -6.754 -37.697 3.104 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -8.256 -37.703 3.287 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -15.110 -41.962 3.202 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -15.728 -41.287 3.483 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -14.766 -41.641 2.369 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -10.090 -39.491 6.480 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -9.137 -39.407 6.452 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -10.250 -40.202 7.099 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -3.938 -39.257 -11.446 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -4.211 -39.682 -12.259 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -3.898 -38.326 -11.663 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -14.770 -44.607 4.285 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -14.620 -45.336 3.682 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -14.768 -43.830 3.726 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -14.358 -46.237 1.777 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -13.822 -45.786 1.125 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -15.210 -46.345 1.355 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -12.776 -40.798 2.017 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -12.025 -40.954 1.444 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -13.115 -39.946 1.741 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -16.292 -43.409 6.196 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -17.059 -43.941 5.986 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -15.613 -43.719 5.597 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -13.552 -48.781 2.209 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -13.650 -47.834 2.103 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -14.295 -49.153 1.733 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -13.330 -49.487 4.880 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -12.618 -50.127 4.866 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -13.431 -49.220 3.966 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -4.468 -43.194 -10.705 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -4.371 -42.527 -11.385 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -4.608 -44.010 -11.187 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -5.220 -45.786 -11.588 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -4.610 -46.158 -10.951 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -6.057 -46.208 -11.392 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -5.588 -44.231 -6.622 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -5.308 -45.138 -6.497 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -4.829 -43.797 -7.011 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -4.974 -46.968 -6.573 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -4.792 -47.417 -5.748 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -5.574 -47.553 -7.037 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -3.108 -46.901 -10.045 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -2.695 -47.622 -10.521 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -2.426 -46.231 -9.987 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -9.061 -31.324 4.032 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -8.384 -31.956 3.792 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -8.739 -30.922 4.840 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -11.137 -31.264 0.082 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -11.594 -30.735 -0.572 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -10.974 -30.661 0.807 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -8.810 -32.386 1.027 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -9.714 -32.221 0.761 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -8.381 -31.533 0.961 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -6.205 -30.816 1.322 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -6.387 -29.900 1.111 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -6.029 -31.226 0.475 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -13.807 -48.724 -4.930 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -12.933 -48.336 -4.960 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -13.943 -48.939 -4.007 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -6.897 -48.668 -7.588 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -7.600 -48.054 -7.798 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -7.342 -49.506 -7.457 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -16.456 -48.786 6.310 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -15.557 -49.060 6.125 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -16.842 -49.529 6.774 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -9.308 -39.495 14.071 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -9.219 -38.551 13.939 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -9.947 -39.770 13.413 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -10.375 -40.240 17.490 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -10.413 -40.886 18.195 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -10.698 -40.706 16.719 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -6.669 -37.301 15.792 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -7.110 -38.021 16.242 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -6.682 -36.580 16.422 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -9.558 -32.196 16.004 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -8.938 -32.873 15.731 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -9.766 -32.414 16.912 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -11.986 -37.807 17.896 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -11.682 -38.493 17.302 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -11.264 -37.689 18.514 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -8.845 -43.413 18.224 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -8.702 -44.360 18.244 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -8.951 -43.206 17.295 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -9.511 -36.894 13.114 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -9.807 -37.216 12.263 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -9.835 -35.994 13.156 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -5.857 -47.175 19.557 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -6.593 -46.564 19.519 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -5.173 -46.760 19.031 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -6.746 -35.779 13.274 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -7.003 -36.469 12.662 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -6.675 -36.222 14.119 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -10.587 -40.251 11.523 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -11.299 -39.716 11.172 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -9.896 -40.195 10.863 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -7.181 -40.041 12.475 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -7.913 -39.813 13.048 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -6.734 -40.755 12.930 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -8.310 -40.879 10.160 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -7.731 -40.729 10.907 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -7.896 -40.408 9.437 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -10.584 -34.142 13.595 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -10.110 -33.847 14.373 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -11.147 -33.404 13.362 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -11.526 -34.958 22.204 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -11.439 -34.132 22.679 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -12.390 -35.288 22.453 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -8.010 -32.032 9.013 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -7.635 -32.776 8.542 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -8.006 -32.302 9.931 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -8.341 -32.106 11.762 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -9.276 -32.006 11.941 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -8.061 -32.815 12.340 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -7.596 -44.707 22.029 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -8.110 -44.833 22.826 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -7.751 -43.795 21.784 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -9.961 -42.582 12.625 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -10.370 -41.767 12.333 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -9.241 -42.722 12.010 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -10.859 -42.407 24.113 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -11.422 -43.111 24.433 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -10.033 -42.527 24.580 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -8.957 -43.136 15.439 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -9.152 -42.531 14.724 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -8.775 -43.970 15.004 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -14.378 -45.525 7.561 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -14.809 -45.970 8.291 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -15.096 -45.153 7.049 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -9.693 -41.498 20.110 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -9.369 -42.129 19.467 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -10.133 -42.033 20.771 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -12.915 -45.571 14.894 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -13.826 -45.514 15.183 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -12.410 -45.631 15.705 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -14.434 -43.942 11.377 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -13.502 -43.813 11.555 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -14.649 -43.272 10.728 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -8.510 -46.336 18.158 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -9.187 -46.205 18.822 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -8.996 -46.491 17.348 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -15.760 -42.747 8.944 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -16.302 -43.127 8.253 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -14.926 -42.553 8.515 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -5.223 -30.664 24.435 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -5.023 -30.240 23.600 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -4.567 -30.321 25.042 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -11.595 -42.783 16.781 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -11.031 -43.330 16.234 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -11.743 -43.305 17.570 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -12.425 -38.182 10.880 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -13.169 -38.689 10.557 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -12.559 -38.133 11.826 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -10.905 -37.998 22.117 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -11.251 -38.379 22.923 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -11.105 -37.064 22.188 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -10.299 -36.723 9.905 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -10.594 -35.897 10.287 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -11.002 -37.343 10.101 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -13.275 -40.909 24.177 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -13.571 -41.075 23.282 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -12.344 -41.129 24.167 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -8.655 -35.536 22.067 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -9.556 -35.353 21.799 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -8.621 -35.277 22.988 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -7.468 -39.697 17.921 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -8.396 -39.929 17.894 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -7.017 -40.474 17.591 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -12.983 -33.557 19.945 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -12.620 -32.702 19.712 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -12.451 -33.849 20.686 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -9.439 -37.458 19.646 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -9.865 -37.685 20.472 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -8.858 -38.196 19.463 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -7.236 -36.529 8.720 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -6.883 -36.909 9.524 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -8.185 -36.622 8.806 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -6.370 -37.856 10.946 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -6.647 -38.584 11.502 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -5.443 -37.737 11.152 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -9.923 -45.932 20.412 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -9.225 -45.858 21.062 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -10.304 -46.796 20.567 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -11.939 -44.552 12.344 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -11.127 -44.048 12.390 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -12.184 -44.697 13.258 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -11.403 -43.566 21.529 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -11.284 -42.992 22.286 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -10.748 -44.254 21.644 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -11.055 -47.471 13.282 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -11.402 -46.853 13.927 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -10.397 -46.970 12.801 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -15.398 -46.408 9.970 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -15.481 -45.519 10.316 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -14.508 -46.673 10.201 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -8.622 -34.682 24.659 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -8.973 -35.538 24.902 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -7.896 -34.539 25.266 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -6.503 -33.737 7.539 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -6.220 -34.531 7.992 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -5.763 -33.504 6.978 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -13.234 -38.201 24.697 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -13.562 -37.930 23.839 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -13.082 -39.142 24.609 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -10.196 -36.780 7.132 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -10.464 -36.600 8.033 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -10.402 -37.706 7.001 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -14.399 -39.855 9.702 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -14.858 -40.339 10.388 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -14.144 -40.523 9.066 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -13.328 -41.612 7.965 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -13.508 -41.766 7.037 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -12.377 -41.504 8.009 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -10.090 -39.491 25.336 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -9.137 -39.407 25.308 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -10.250 -40.202 25.955 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -12.288 -44.459 24.628 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -12.524 -44.679 25.530 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -13.071 -44.666 24.119 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -9.572 -45.332 23.704 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -10.520 -45.300 23.836 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -9.260 -45.957 24.358 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -7.938 -46.698 25.709 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -8.035 -47.650 25.703 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -8.260 -46.429 26.570 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -2.664 -48.933 25.800 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -2.314 -49.587 25.194 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -2.517 -48.096 25.360 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -3.144 -46.824 24.149 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -4.061 -46.553 24.113 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -3.021 -47.359 23.365 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -6.056 -31.912 13.883 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -5.403 -32.259 13.275 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -5.545 -31.423 14.529 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -11.406 -32.609 23.644 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -11.221 -32.943 24.522 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -10.559 -32.300 23.322 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -9.061 -31.324 22.888 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -8.384 -31.956 22.648 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -8.739 -30.922 23.696 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -4.143 -48.734 21.968 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -4.956 -48.409 21.580 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -3.910 -49.494 21.435 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -11.137 -31.264 18.938 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -11.594 -30.735 18.284 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -10.974 -30.661 19.663 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -10.713 -47.285 16.291 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -11.388 -47.914 16.546 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -10.149 -47.769 15.688 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -13.807 -48.724 13.926 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -12.933 -48.336 13.896 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -13.943 -48.939 14.849 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -8.250 -48.694 15.575 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -8.174 -48.599 14.626 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -8.526 -49.602 15.704 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -17.689 -46.937 8.359 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -17.198 -47.567 7.831 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -17.066 -46.641 9.022 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -4.076 -32.132 11.891 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -4.270 -32.880 11.326 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -4.115 -31.374 11.307 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -9.511 -36.894 31.970 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -9.807 -37.216 31.119 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -9.835 -35.994 32.012 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -6.746 -35.779 32.130 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -7.003 -36.469 31.518 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -6.675 -36.222 32.975 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -10.587 -40.251 30.379 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -11.299 -39.716 30.028 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -9.896 -40.195 29.719 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -10.533 -41.793 27.418 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -9.832 -41.771 28.069 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -10.231 -42.421 26.762 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -7.181 -40.041 31.331 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -7.913 -39.813 31.904 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -6.734 -40.755 31.786 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -8.310 -40.879 29.016 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -7.731 -40.729 29.763 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -7.896 -40.408 28.293 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -3.422 -34.763 27.206 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -3.349 -33.824 27.376 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -2.517 -35.068 27.149 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -8.010 -32.032 27.869 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -7.635 -32.776 27.398 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -8.006 -32.302 28.787 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -12.425 -38.182 29.736 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -13.169 -38.689 29.413 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -12.559 -38.133 30.682 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -8.527 -45.368 27.935 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -9.465 -45.256 27.784 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -8.230 -44.511 28.241 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -7.809 -43.501 29.596 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -6.917 -43.638 29.915 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -7.752 -42.710 29.059 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -10.299 -36.723 28.761 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -10.594 -35.897 29.143 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -11.002 -37.343 28.957 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -2.924 -43.291 29.290 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -3.478 -43.687 28.618 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -2.823 -42.381 29.013 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -4.628 -34.505 29.755 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -5.001 -35.331 30.065 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -4.351 -34.688 28.858 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -6.370 -37.856 29.802 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -6.647 -38.584 30.358 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -5.443 -37.737 30.008 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -11.107 -33.554 26.161 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -11.751 -34.185 26.483 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -10.345 -34.085 25.929 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -6.503 -33.737 26.395 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -6.220 -34.531 26.848 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -5.763 -33.504 25.834 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -10.196 -36.780 25.988 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -10.464 -36.600 26.889 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -10.402 -37.706 25.857 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -3.479 -38.388 30.241 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -2.629 -37.967 30.369 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -3.474 -39.128 30.849 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -3.085 -40.335 32.065 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -3.811 -40.814 32.463 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -2.504 -40.129 32.797 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -2.817 -40.434 28.456 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -3.338 -40.077 27.737 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -2.850 -39.759 29.134 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -5.298 -41.814 32.628 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -5.448 -42.759 32.608 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -5.652 -41.533 33.472 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -5.220 -45.786 26.124 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -4.610 -46.158 26.761 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -6.057 -46.208 26.320 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -5.588 -44.231 31.090 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -5.308 -45.138 31.215 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -4.829 -43.797 30.701 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -3.108 -46.901 27.667 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -2.695 -47.622 27.191 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -2.426 -46.231 27.725 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -4.076 -32.132 30.747 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -4.270 -32.880 30.182 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -4.115 -31.374 30.163 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -3.323 -27.350 -18.955 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -3.274 -26.740 -18.219 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -2.897 -26.889 -19.678 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -2.931 -25.872 -16.719 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -3.620 -25.214 -16.814 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -2.916 -26.069 -15.782 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -5.857 -28.319 -18.155 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -6.593 -27.708 -18.193 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -5.173 -27.904 -18.681 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -5.060 -18.357 -15.961 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -4.920 -18.948 -16.700 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -4.892 -17.484 -16.317 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -2.505 -15.676 -14.384 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -2.554 -16.631 -14.421 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -3.331 -15.408 -13.982 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -11.526 -16.102 -15.508 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -11.439 -15.276 -15.033 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -12.390 -16.432 -15.259 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -5.353 -24.183 -13.904 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -5.760 -23.702 -14.624 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -5.312 -25.088 -14.211 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -8.655 -16.680 -15.645 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -9.556 -16.497 -15.913 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -8.621 -16.421 -14.724 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -2.960 -18.635 -14.441 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -3.812 -18.397 -14.808 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -2.370 -18.652 -15.194 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -12.983 -14.701 -17.767 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -12.620 -13.846 -18.000 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -12.451 -14.993 -17.026 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -6.780 -14.050 -15.597 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -7.382 -14.605 -16.092 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -6.499 -13.383 -16.223 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -5.199 -26.803 -15.348 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -6.115 -26.540 -15.436 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -4.863 -26.806 -16.245 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -5.510 -13.796 -19.630 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -5.666 -13.118 -20.287 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -4.578 -13.724 -19.427 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -15.199 -14.206 -11.782 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -14.431 -14.665 -11.441 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -15.220 -14.432 -12.712 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -8.622 -15.826 -13.053 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -8.973 -16.682 -12.810 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -7.896 -15.683 -12.446 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -7.044 -21.338 -13.733 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -7.325 -20.629 -14.311 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -6.101 -21.411 -13.884 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -2.794 -13.146 -19.401 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -2.816 -12.961 -18.462 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -2.104 -12.577 -19.742 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -3.231 -13.579 -16.479 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -3.718 -14.314 -16.850 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -2.682 -13.972 -15.801 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -4.839 -15.816 -17.248 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -5.487 -15.491 -16.623 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -5.357 -16.256 -17.923 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -4.442 -20.988 -14.301 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -3.859 -21.722 -14.110 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -3.878 -20.216 -14.255 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -2.945 -23.085 -13.617 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -3.808 -23.464 -13.782 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -2.341 -23.824 -13.691 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -2.664 -30.077 -11.912 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -2.314 -30.731 -12.518 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -2.517 -29.240 -12.352 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -3.144 -27.968 -13.563 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -4.061 -27.697 -13.599 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -3.021 -28.503 -14.347 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -11.406 -13.753 -14.068 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -11.221 -14.087 -13.190 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -10.559 -13.444 -14.390 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -4.143 -29.878 -15.744 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -4.956 -29.553 -16.132 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -3.910 -30.638 -16.277 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -11.137 -12.408 -18.774 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -11.594 -11.879 -19.428 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -10.974 -11.805 -18.049 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -8.810 -13.530 -17.829 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -9.714 -13.365 -18.095 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -8.381 -12.677 -17.895 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -6.205 -11.960 -17.534 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -6.387 -11.044 -17.745 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -6.029 -12.370 -18.381 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -5.571 -30.322 -21.309 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -4.967 -29.774 -21.810 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -6.440 -30.002 -21.549 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -3.844 -29.183 -22.975 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -3.232 -29.697 -23.502 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -3.461 -28.305 -22.952 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -9.308 -20.639 -4.785 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -9.219 -19.695 -4.917 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -9.947 -20.914 -5.443 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -6.669 -18.445 -3.064 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -7.110 -19.165 -2.614 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -6.682 -17.724 -2.434 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -11.986 -18.951 -0.960 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -11.682 -19.637 -1.554 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -11.264 -18.833 -0.342 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -3.323 -27.350 -0.099 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -3.274 -26.740 0.637 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -2.897 -26.889 -0.822 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -7.968 -26.325 -4.959 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -7.322 -26.654 -4.334 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -7.458 -25.807 -5.582 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -2.931 -25.872 2.137 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -3.620 -25.214 2.042 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -2.916 -26.069 3.074 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -9.511 -18.038 -5.742 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -9.807 -18.360 -6.593 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -9.835 -17.138 -5.700 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -6.204 -27.034 -2.978 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -6.419 -27.800 -2.446 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -5.548 -26.562 -2.465 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -5.857 -28.319 0.701 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -6.593 -27.708 0.663 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -5.173 -27.904 0.175 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -12.854 -30.232 -1.833 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -12.971 -31.181 -1.887 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -13.709 -29.900 -1.560 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -5.060 -18.357 2.895 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -4.920 -18.948 2.156 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -4.892 -17.484 2.539 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -3.218 -22.017 0.961 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -3.870 -21.322 1.050 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -2.753 -21.807 0.151 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -7.181 -21.185 -6.381 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -7.913 -20.957 -5.808 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -6.734 -21.899 -5.926 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -8.310 -22.023 -8.696 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -7.731 -21.873 -7.949 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -7.896 -21.552 -9.419 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -10.584 -15.286 -5.261 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -10.110 -14.991 -4.483 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -11.147 -14.548 -5.494 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -4.612 -30.273 -8.883 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -5.511 -30.134 -8.588 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -4.360 -29.442 -9.285 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -2.505 -15.676 4.472 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -2.554 -16.631 4.435 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -3.331 -15.408 4.874 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -11.526 -16.102 3.348 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -11.439 -15.276 3.823 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -12.390 -16.432 3.597 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -11.112 -12.330 -6.846 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -11.187 -12.451 -7.792 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -11.079 -11.380 -6.727 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -10.922 -29.607 2.319 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -10.502 -30.022 3.072 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -11.855 -29.785 2.436 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -6.833 -20.990 -11.066 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -6.791 -21.213 -11.996 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -5.984 -20.592 -10.876 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -8.510 -27.480 -0.698 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -9.187 -27.349 -0.034 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -8.996 -27.635 -1.508 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -5.223 -11.808 5.579 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -5.023 -11.384 4.744 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -4.567 -11.465 6.186 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -5.275 -20.193 0.810 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -4.633 -19.736 0.267 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -6.105 -20.080 0.348 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -7.809 -24.645 -8.116 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -6.917 -24.782 -7.797 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -7.752 -23.854 -8.653 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -10.299 -17.867 -8.951 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -10.594 -17.041 -8.569 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -11.002 -18.487 -8.755 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -8.655 -16.680 3.211 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -9.556 -16.497 2.943 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -8.621 -16.421 4.132 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -2.960 -18.635 4.415 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -3.812 -18.397 4.048 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -2.370 -18.652 3.662 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -7.468 -20.841 -0.935 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -8.396 -21.073 -0.962 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -7.017 -21.618 -1.265 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -12.983 -14.701 1.089 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -12.620 -13.846 0.856 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -12.451 -14.993 1.830 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -9.439 -18.602 0.790 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -9.865 -18.829 1.616 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -8.858 -19.340 0.607 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -7.236 -17.673 -10.136 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -6.883 -18.053 -9.332 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -8.185 -17.766 -10.050 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -6.780 -14.050 3.259 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -7.382 -14.605 2.764 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -6.499 -13.383 2.633 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -6.370 -19.000 -7.910 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -6.647 -19.728 -7.354 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -5.443 -18.881 -7.704 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -13.145 -16.561 -11.689 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -12.906 -17.309 -12.237 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -13.414 -16.949 -10.857 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -11.470 -15.293 -8.484 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -12.287 -14.796 -8.431 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -10.941 -14.818 -9.124 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -11.055 -28.615 -5.574 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -11.402 -27.997 -4.929 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -10.397 -28.114 -6.055 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -14.132 -14.250 -8.502 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -13.971 -13.450 -9.003 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -14.329 -13.943 -7.617 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -5.199 -26.803 3.508 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -6.115 -26.540 3.420 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -4.863 -26.806 2.611 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -11.107 -14.698 -11.551 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -11.751 -15.329 -11.229 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -10.345 -15.229 -11.783 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -8.622 -15.826 5.803 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -8.973 -16.682 6.046 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -7.896 -15.683 6.410 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -10.196 -17.924 -11.724 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -10.464 -17.744 -10.823 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -10.402 -18.850 -11.855 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -7.499 -19.429 3.224 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -6.754 -18.841 3.104 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -8.256 -18.847 3.287 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -10.090 -20.635 6.480 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -9.137 -20.551 6.452 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -10.250 -21.346 7.099 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -3.938 -20.401 -11.446 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -4.211 -20.826 -12.259 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -3.898 -19.470 -11.663 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -8.360 -24.127 7.045 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -8.168 -25.058 6.934 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -7.503 -23.702 7.035 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -7.938 -27.842 6.853 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -8.035 -28.794 6.847 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -8.260 -27.573 7.714 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -13.430 -12.065 -9.890 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -12.497 -11.907 -9.746 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -13.694 -11.390 -10.515 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -3.231 -13.579 2.377 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -3.718 -14.314 2.006 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -2.682 -13.972 3.055 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -4.780 -17.789 7.015 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -5.646 -17.894 7.409 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -4.404 -17.030 7.462 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -3.085 -21.479 -5.647 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -3.811 -21.958 -5.249 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -2.504 -21.273 -4.915 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -3.326 -18.694 -0.699 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -2.492 -19.072 -0.980 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -3.214 -17.751 -0.818 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -5.298 -22.958 -5.084 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -5.448 -23.903 -5.104 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -5.652 -22.677 -4.240 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -2.945 -23.085 5.239 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -3.808 -23.464 5.074 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -2.341 -23.824 5.165 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -5.220 -26.930 -11.588 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -4.610 -27.302 -10.951 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -6.057 -27.352 -11.392 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -5.588 -25.375 -6.622 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -5.308 -26.282 -6.497 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -4.829 -24.941 -7.011 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -4.974 -28.112 -6.573 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -4.792 -28.561 -5.748 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -5.574 -28.697 -7.037 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -3.144 -27.968 5.293 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -4.061 -27.697 5.257 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -3.021 -28.503 4.509 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -9.061 -12.468 4.032 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -8.384 -13.100 3.792 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -8.739 -12.066 4.840 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -4.143 -29.878 3.112 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -4.956 -29.553 2.724 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -3.910 -30.638 2.579 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -11.137 -12.408 0.082 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -11.594 -11.879 -0.572 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -10.974 -11.805 0.807 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -14.222 -14.093 -1.710 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -14.009 -14.981 -1.997 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -14.157 -14.127 -0.755 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -10.713 -28.429 -2.565 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -11.388 -29.058 -2.310 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -10.149 -28.913 -3.168 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -3.844 -29.183 -4.119 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -3.232 -29.697 -4.646 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -3.461 -28.305 -4.096 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -8.250 -29.838 -3.281 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -8.174 -29.743 -4.230 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -8.526 -30.746 -3.152 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -6.897 -29.812 -7.588 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -7.600 -29.198 -7.798 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -7.342 -30.650 -7.457 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -8.034 -30.598 6.492 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -7.958 -31.024 7.346 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -7.141 -30.584 6.150 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -4.858 -14.525 5.185 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -5.640 -14.711 4.665 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -4.930 -13.596 5.402 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -9.308 -20.639 14.071 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -9.219 -19.695 13.939 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -9.947 -20.914 13.413 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -6.669 -18.445 15.792 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -7.110 -19.165 16.242 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -6.682 -17.724 16.422 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -9.558 -13.340 16.004 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -8.938 -14.017 15.731 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -9.766 -13.558 16.912 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -8.845 -24.557 18.224 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -8.702 -25.504 18.244 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -8.951 -24.350 17.295 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -6.157 -16.605 18.140 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -7.099 -16.547 18.301 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -5.881 -15.699 18.003 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -12.854 -30.232 17.023 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -12.971 -31.181 16.969 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -13.709 -29.900 17.296 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -5.060 -18.357 21.751 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -4.920 -18.948 21.012 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -4.892 -17.484 21.395 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -10.587 -21.395 11.523 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -11.299 -20.860 11.172 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -9.896 -21.339 10.863 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -10.533 -22.937 8.562 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -9.832 -22.915 9.213 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -10.231 -23.565 7.906 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -7.181 -21.185 12.475 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -7.913 -20.957 13.048 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -6.734 -21.899 12.930 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -7.284 -23.011 21.543 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -7.204 -22.248 22.115 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -7.885 -22.732 20.852 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -8.860 -16.283 18.725 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -9.101 -15.621 19.373 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -9.058 -17.117 19.150 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -8.310 -22.023 10.160 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -7.731 -21.873 10.907 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -7.896 -21.552 9.437 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -4.612 -30.273 9.973 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -5.511 -30.134 10.268 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -4.360 -29.442 9.571 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -3.422 -15.907 8.350 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -3.349 -14.968 8.520 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -2.517 -16.212 8.293 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -10.922 -29.607 21.175 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -10.502 -30.022 21.928 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -11.855 -29.785 21.292 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -6.833 -20.990 7.790 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -6.791 -21.213 6.860 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -5.984 -20.592 7.980 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -9.961 -23.726 12.625 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -10.370 -22.911 12.333 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -9.241 -23.866 12.010 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -10.859 -23.551 24.113 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -11.422 -24.255 24.433 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -10.033 -23.671 24.580 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -8.957 -24.280 15.439 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -9.152 -23.675 14.724 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -8.775 -25.114 15.004 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -9.693 -22.642 20.110 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -9.369 -23.273 19.467 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -10.133 -23.177 20.771 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -8.510 -27.480 18.158 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -9.187 -27.349 18.822 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -8.996 -27.635 17.348 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -5.223 -11.808 24.435 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -5.023 -11.384 23.600 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -4.567 -11.465 25.042 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -12.425 -19.326 10.880 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -13.169 -19.833 10.557 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -12.559 -19.277 11.826 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -5.275 -20.193 19.666 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -4.633 -19.736 19.123 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -6.105 -20.080 19.204 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -8.527 -26.512 9.079 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -9.465 -26.400 8.928 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -8.230 -25.655 9.385 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -7.809 -24.645 10.740 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -6.917 -24.782 11.059 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -7.752 -23.854 10.203 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -8.655 -16.680 22.067 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -9.556 -16.497 21.799 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -8.621 -16.421 22.988 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -7.468 -20.841 17.921 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -8.396 -21.073 17.894 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -7.017 -21.618 17.591 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -14.925 -16.513 14.054 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -14.398 -15.740 13.853 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -15.805 -16.288 13.752 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -13.498 -18.850 13.630 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -13.739 -17.925 13.672 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -14.238 -19.309 14.026 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -14.814 -13.828 13.175 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -15.764 -13.723 13.227 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -14.463 -13.008 13.520 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -9.439 -18.602 19.646 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -9.865 -18.829 20.472 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -8.858 -19.340 19.463 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -6.780 -14.050 22.115 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -7.382 -14.605 21.620 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -6.499 -13.383 21.489 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -2.732 -13.193 8.921 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -1.989 -12.607 8.781 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -3.427 -12.625 9.254 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -13.145 -16.561 7.167 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -12.906 -17.309 6.619 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -13.414 -16.949 7.999 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -14.208 -16.991 9.623 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -14.061 -17.511 10.413 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -14.211 -16.084 9.929 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -9.923 -27.076 20.412 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -9.225 -27.002 21.062 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -10.304 -27.940 20.567 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -9.139 -27.424 11.509 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -8.919 -26.952 10.706 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -8.581 -27.029 12.180 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -11.470 -15.293 10.372 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -12.287 -14.796 10.425 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -10.941 -14.818 9.732 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -11.939 -25.696 12.344 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -11.127 -25.192 12.390 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -12.184 -25.841 13.258 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -11.403 -24.710 21.529 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -11.284 -24.136 22.286 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -10.748 -25.398 21.644 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -11.055 -28.615 13.282 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -11.402 -27.997 13.927 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -10.397 -28.114 12.801 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -14.132 -14.250 10.354 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -13.971 -13.450 9.853 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -14.329 -13.943 11.239 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -6.597 -23.052 16.460 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -7.394 -23.467 16.131 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -6.152 -23.743 16.951 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -11.107 -14.698 7.305 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -11.751 -15.329 7.627 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -10.345 -15.229 7.073 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -8.622 -15.826 24.659 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -8.973 -16.682 24.902 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -7.896 -15.683 25.266 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -6.503 -14.881 7.539 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -6.220 -15.675 7.992 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -5.763 -14.648 6.978 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -10.196 -17.924 7.132 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -10.464 -17.744 8.033 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -10.402 -18.850 7.001 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -7.499 -19.429 22.080 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -6.754 -18.841 21.960 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -8.256 -18.847 22.143 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -10.090 -20.635 25.336 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -9.137 -20.551 25.308 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -10.250 -21.346 25.955 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -3.938 -20.401 7.410 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -4.211 -20.826 6.597 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -3.898 -19.470 7.193 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -8.360 -24.127 25.901 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -8.168 -25.058 25.790 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -7.503 -23.702 25.891 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -7.044 -21.338 23.979 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -7.325 -20.629 23.401 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -6.101 -21.411 23.828 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -9.572 -26.476 23.704 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -10.520 -26.444 23.836 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -9.260 -27.101 24.358 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -7.938 -27.842 25.709 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -8.035 -28.794 25.703 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -8.260 -27.573 26.570 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -13.430 -12.065 8.966 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -12.497 -11.907 9.110 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -13.694 -11.390 8.341 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -3.479 -19.532 11.385 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -2.629 -19.111 11.513 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -3.474 -20.272 11.993 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -4.468 -24.338 8.151 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -4.371 -23.671 7.471 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -4.608 -25.154 7.669 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -5.220 -26.930 7.268 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -4.610 -27.302 7.905 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -6.057 -27.352 7.464 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -11.137 -12.408 18.938 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -11.594 -11.879 18.284 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -10.974 -11.805 19.663 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -8.810 -13.530 19.883 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -9.714 -13.365 19.617 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -8.381 -12.677 19.817 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -6.205 -11.960 20.178 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -6.387 -11.044 19.967 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -6.029 -12.370 19.331 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -14.222 -14.093 17.146 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -14.009 -14.981 16.859 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -14.157 -14.127 18.101 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -10.713 -28.429 16.291 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -11.388 -29.058 16.546 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -10.149 -28.913 15.688 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -8.250 -29.838 15.575 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -8.174 -29.743 14.626 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -8.526 -30.746 15.704 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -6.897 -29.812 11.268 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -7.600 -29.198 11.058 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -7.342 -30.650 11.399 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -10.785 -12.839 9.211 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -9.919 -12.473 9.033 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -11.032 -13.279 8.398 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -8.034 -30.598 25.348 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -7.958 -31.024 26.202 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -7.141 -30.584 25.006 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -4.858 -14.525 24.041 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -5.640 -14.711 23.521 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -4.930 -13.596 24.258 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -6.746 -16.923 32.130 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -7.003 -17.613 31.518 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -6.675 -17.366 32.975 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -10.587 -21.395 30.379 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -11.299 -20.860 30.028 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -9.896 -21.339 29.719 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -10.533 -22.937 27.418 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -9.832 -22.915 28.069 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -10.231 -23.565 26.762 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -7.181 -21.185 31.331 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -7.913 -20.957 31.904 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -6.734 -21.899 31.786 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -8.310 -22.023 29.016 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -7.731 -21.873 29.763 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -7.896 -21.552 28.293 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -4.612 -30.273 28.829 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -5.511 -30.134 29.124 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -4.360 -29.442 28.427 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -3.422 -15.907 27.206 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -3.349 -14.968 27.376 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -2.517 -16.212 27.149 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -8.527 -26.512 27.935 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -9.465 -26.400 27.784 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -8.230 -25.655 28.241 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -7.809 -24.645 29.596 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -6.917 -24.782 29.915 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -7.752 -23.854 29.059 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -10.299 -17.867 28.761 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -10.594 -17.041 29.143 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -11.002 -18.487 28.957 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -4.628 -15.649 29.755 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -5.001 -16.475 30.065 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -4.351 -15.832 28.858 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -7.236 -17.673 27.576 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -6.883 -18.053 28.380 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -8.185 -17.766 27.662 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -2.732 -13.193 27.777 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -1.989 -12.607 27.637 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -3.427 -12.625 28.110 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -6.370 -19.000 29.802 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -6.647 -19.728 30.358 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -5.443 -18.881 30.008 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -6.503 -14.881 26.395 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -6.220 -15.675 26.848 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -5.763 -14.648 25.834 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -10.196 -17.924 25.988 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -10.464 -17.744 26.889 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -10.402 -18.850 25.857 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -3.085 -21.479 32.065 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -3.811 -21.958 32.463 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -2.504 -21.273 32.797 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -5.298 -22.958 32.628 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -5.448 -23.903 32.608 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -5.652 -22.677 33.472 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -5.588 -25.375 31.090 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -5.308 -26.282 31.215 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -4.829 -24.941 30.701 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -4.974 -28.112 31.139 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -4.792 -28.561 31.964 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -5.574 -28.697 30.675 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -3.108 -28.045 27.667 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -2.695 -28.766 27.191 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -2.426 -27.375 27.725 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -4.076 -13.276 30.747 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -4.270 -14.024 30.182 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -4.115 -12.518 30.163 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -2.931 -7.016 -16.719 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -3.620 -6.358 -16.814 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -2.916 -7.213 -15.782 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -5.857 -9.463 -18.155 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -6.593 -8.852 -18.193 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -5.173 -9.048 -18.681 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -7.284 -4.155 -16.169 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -7.204 -3.392 -15.597 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -7.885 -3.876 -16.860 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -5.353 -5.327 -13.904 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -5.760 -4.846 -14.624 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -5.312 -6.232 -14.211 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -7.596 -6.995 -15.683 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -8.110 -7.121 -14.886 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -7.751 -6.083 -15.928 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -10.859 -4.695 -13.599 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -11.422 -5.399 -13.279 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -10.033 -4.815 -13.132 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -9.693 -3.786 -17.602 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -9.369 -4.417 -18.245 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -10.133 -4.321 -16.941 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -8.510 -8.624 -19.554 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -9.187 -8.493 -18.890 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -8.996 -8.779 -20.364 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -12.969 -6.683 -18.517 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -13.804 -6.229 -18.407 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -12.445 -6.407 -17.765 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -13.275 -3.197 -13.535 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -13.571 -3.363 -14.430 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -12.344 -3.417 -13.545 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -9.923 -8.220 -17.300 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -9.225 -8.146 -16.650 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -10.304 -9.084 -17.145 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -11.403 -5.854 -16.183 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -11.284 -5.280 -15.426 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -10.748 -6.542 -16.068 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -5.199 -7.947 -15.348 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -6.115 -7.684 -15.436 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -4.863 -7.950 -16.245 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -14.770 -6.895 -14.571 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -14.620 -7.624 -15.174 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -14.768 -6.118 -15.130 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -14.358 -8.525 -17.079 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -13.822 -8.074 -17.731 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -15.210 -8.633 -17.501 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -8.360 -5.271 -11.811 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -8.168 -6.202 -11.922 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -7.503 -4.846 -11.821 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -16.292 -5.697 -12.660 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -17.059 -6.229 -12.870 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -15.613 -6.007 -13.259 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -13.552 -11.069 -16.647 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -13.650 -10.122 -16.753 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -14.295 -11.441 -17.123 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -12.288 -6.747 -13.084 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -12.524 -6.967 -12.182 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -13.071 -6.954 -13.593 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -2.945 -4.229 -13.617 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -3.808 -4.608 -13.782 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -2.341 -4.968 -13.691 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -3.144 -9.112 -13.563 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -4.061 -8.841 -13.599 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -3.021 -9.647 -14.347 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -4.143 -11.022 -15.744 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -4.956 -10.697 -16.132 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -3.910 -11.782 -16.277 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -16.456 -11.074 -12.546 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -15.557 -11.348 -12.731 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -16.842 -11.817 -12.082 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -3.323 -8.494 -0.099 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -3.274 -7.884 0.637 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -2.897 -8.033 -0.822 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -7.968 -7.469 -4.959 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -7.322 -7.798 -4.334 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -7.458 -6.951 -5.582 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -2.931 -7.016 2.137 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -3.620 -6.358 2.042 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -2.916 -7.213 3.074 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -5.857 -9.463 0.701 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -6.593 -8.852 0.663 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -5.173 -9.048 0.175 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -12.854 -11.376 -1.833 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -12.971 -12.325 -1.887 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -13.709 -11.044 -1.560 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -10.533 -4.081 -10.294 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -9.832 -4.059 -9.643 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -10.231 -4.709 -10.950 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -3.218 -3.161 0.961 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -3.870 -2.466 1.050 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -2.753 -2.951 0.151 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -7.181 -2.329 -6.381 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -7.913 -2.101 -5.808 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -6.734 -3.043 -5.926 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -8.310 -3.167 -8.696 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -7.731 -3.017 -7.949 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -7.896 -2.696 -9.419 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -10.922 -10.751 2.319 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -10.502 -11.166 3.072 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -11.855 -10.929 2.436 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -6.833 -2.134 -11.066 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -6.791 -2.357 -11.996 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -5.984 -1.736 -10.876 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -9.961 -4.870 -6.231 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -10.370 -4.055 -6.523 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -9.241 -5.010 -6.846 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -8.957 -5.424 -3.417 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -9.152 -4.819 -4.132 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -8.775 -6.258 -3.852 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -14.378 -7.813 -11.295 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -14.809 -8.258 -10.565 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -15.096 -7.441 -11.807 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -14.434 -6.230 -7.479 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -13.502 -6.101 -7.301 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -14.649 -5.560 -8.128 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -8.510 -8.624 -0.698 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -9.187 -8.493 -0.034 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -8.996 -8.779 -1.508 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -7.809 -5.789 -8.116 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -6.917 -5.926 -7.797 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -7.752 -4.998 -8.653 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -6.370 -0.144 -7.910 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -6.647 -0.872 -7.354 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -5.443 -0.025 -7.704 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -9.923 -8.220 1.556 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -9.225 -8.146 2.206 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -10.304 -9.084 1.711 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -9.139 -8.568 -7.347 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -8.919 -8.096 -8.150 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -8.581 -8.173 -6.676 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -11.939 -6.840 -6.512 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -11.127 -6.336 -6.466 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -12.184 -6.985 -5.598 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -11.055 -9.759 -5.574 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -11.402 -9.141 -4.929 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -10.397 -9.258 -6.055 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -15.398 -8.696 -8.886 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -15.481 -7.807 -8.540 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -14.508 -8.961 -8.655 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -5.199 -7.947 3.508 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -6.115 -7.684 3.420 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -4.863 -7.950 2.611 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -6.597 -4.196 -2.396 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -7.394 -4.611 -2.725 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -6.152 -4.887 -1.905 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -13.328 -3.900 -10.891 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -13.508 -4.054 -11.819 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -12.377 -3.792 -10.847 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -3.938 -1.545 -11.446 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -4.211 -1.970 -12.259 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -3.898 -0.614 -11.663 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -7.938 -8.986 6.853 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -8.035 -9.938 6.847 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -8.260 -8.717 7.714 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -3.479 -0.676 -7.471 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -2.629 -0.255 -7.343 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -3.474 -1.416 -6.863 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -2.817 -2.722 -9.256 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -3.338 -2.365 -9.975 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -2.850 -2.047 -8.578 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -4.976 -5.938 -1.186 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -4.043 -5.726 -1.220 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -5.211 -5.836 -0.263 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -2.664 -11.221 6.944 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -2.314 -11.875 6.338 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -2.517 -10.384 6.504 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -4.143 -11.022 3.112 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -4.956 -10.697 2.724 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -3.910 -11.782 2.579 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -10.713 -9.573 -2.565 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -11.388 -10.202 -2.310 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -10.149 -10.057 -3.168 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -13.807 -11.012 -4.930 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -12.933 -10.624 -4.960 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -13.943 -11.227 -4.007 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -12.663 -8.932 -8.040 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -12.485 -9.578 -7.357 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -12.717 -8.098 -7.573 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -8.034 -11.742 6.492 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -7.958 -12.168 7.346 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -7.141 -11.728 6.150 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -7.968 -7.469 13.897 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -7.322 -7.798 14.522 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -7.458 -6.951 13.274 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -2.931 -7.016 20.993 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -3.620 -6.358 20.898 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -2.916 -7.213 21.930 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -6.204 -8.178 15.878 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -6.419 -8.944 16.410 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -5.548 -7.706 16.391 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -5.857 -9.463 19.557 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -6.593 -8.852 19.519 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -5.173 -9.048 19.031 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 -12.854 -11.376 17.023 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 -12.971 -12.325 16.969 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 -13.709 -11.044 17.296 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 -4.612 -11.417 9.973 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 -5.511 -11.278 10.268 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 -4.360 -10.586 9.571 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 -11.260 -8.258 8.460 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 -11.514 -8.239 9.383 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 -11.517 -9.130 8.159 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 -8.510 -8.624 18.158 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 -9.187 -8.493 18.822 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 -8.996 -8.779 17.348 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 -8.527 -7.656 9.079 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 -9.465 -7.544 8.928 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 -8.230 -6.799 9.385 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 -9.139 -8.568 11.509 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 -8.919 -8.096 10.706 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 -8.581 -8.173 12.180 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 -11.055 -9.759 13.282 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 -11.402 -9.141 13.927 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 -10.397 -9.258 12.801 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 -5.199 -7.947 22.364 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 -6.115 -7.684 22.276 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 -4.863 -7.950 21.467 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 -5.588 -6.519 12.234 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 -5.308 -7.426 12.359 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 -4.829 -6.085 11.845 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 -4.976 -5.938 17.670 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 -4.043 -5.726 17.636 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 -5.211 -5.836 18.593 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 -4.947 -5.201 20.446 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 -5.790 -4.933 20.812 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 -4.504 -4.379 20.235 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 -2.664 -11.221 25.800 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 -2.314 -11.875 25.194 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 -2.517 -10.384 25.360 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 -4.974 -9.256 12.283 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 -4.792 -9.705 13.108 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 -5.574 -9.841 11.819 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 -3.144 -9.112 24.149 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 -4.061 -8.841 24.113 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 -3.021 -9.647 23.365 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 -3.108 -9.189 8.811 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 -2.695 -9.910 8.335 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 -2.426 -8.519 8.869 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 -4.143 -11.022 21.968 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 -4.956 -10.697 21.580 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 -3.910 -11.782 21.435 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 -10.713 -9.573 16.291 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 -11.388 -10.202 16.546 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 -10.149 -10.057 15.688 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 -13.807 -11.012 13.926 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 -12.933 -10.624 13.896 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 -13.943 -11.227 14.849 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 -8.250 -10.982 15.575 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 -8.174 -10.887 14.626 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 -8.526 -11.890 15.704 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 -12.663 -8.932 10.816 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 -12.485 -9.578 11.499 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 -12.717 -8.098 11.283 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 -4.612 -11.417 28.829 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 -5.511 -11.278 29.124 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 -4.360 -10.586 28.427 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 -3.108 -9.189 27.667 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 -2.695 -9.910 27.191 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 -2.426 -8.519 27.725 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 2.806 -53.027 -14.240 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 2.814 -53.163 -15.188 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 1.890 -53.145 -13.988 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 16.351 -53.388 -14.384 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 16.302 -54.343 -14.421 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 15.525 -53.120 -13.982 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 7.330 -53.814 -15.508 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 7.417 -52.988 -15.033 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 6.466 -54.144 -15.259 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 10.201 -54.392 -15.645 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 9.300 -54.209 -15.913 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 10.235 -54.133 -14.724 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 5.873 -52.413 -17.767 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 6.236 -51.558 -18.000 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 6.405 -52.705 -17.026 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 12.076 -51.762 -15.597 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 11.474 -52.317 -16.092 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 12.357 -51.095 -16.223 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 -0.940 -50.837 -13.402 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 -0.400 -51.054 -12.643 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 -1.421 -51.643 -13.592 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 3.657 -51.918 -11.782 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 4.425 -52.377 -11.441 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 3.636 -52.144 -12.712 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 10.234 -53.538 -13.053 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 9.883 -54.394 -12.810 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 10.960 -53.395 -12.446 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 15.625 -51.291 -16.479 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 15.138 -52.026 -16.850 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 16.174 -51.684 -15.801 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 14.076 -55.501 -11.841 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 13.210 -55.606 -11.447 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 14.452 -54.742 -11.394 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 3.139 -52.864 -17.027 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 2.714 -52.055 -17.310 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 4.044 -52.779 -17.329 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 7.450 -51.465 -14.068 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 7.635 -51.799 -13.190 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 8.297 -51.156 -14.390 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 9.795 -50.180 -14.824 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 10.472 -50.812 -15.064 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 10.117 -49.778 -14.016 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 0.541 -49.608 -16.980 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 -0.179 -49.168 -17.431 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 0.175 -49.859 -16.131 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 3.008 -50.008 -17.950 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 2.143 -49.936 -17.546 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 2.953 -49.461 -18.734 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 7.719 -50.120 -18.774 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 7.262 -49.591 -19.428 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 7.882 -49.517 -18.049 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 10.046 -51.242 -17.829 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 9.142 -51.077 -18.095 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 10.475 -50.389 -17.895 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 12.651 -49.672 -17.534 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 12.469 -48.756 -17.745 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 12.827 -50.082 -18.381 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 -0.044 -50.985 -20.069 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 -0.063 -51.410 -19.212 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 0.761 -51.303 -20.478 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 2.097 -52.275 -21.414 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 1.878 -53.191 -21.245 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 2.921 -52.135 -20.948 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 4.634 -51.805 -20.566 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 4.847 -52.693 -20.853 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 4.699 -51.839 -19.611 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 13.998 -52.237 -13.671 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 13.216 -52.423 -14.191 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 13.926 -51.308 -13.454 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 9.548 -58.351 -4.785 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 9.637 -57.407 -4.917 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 8.909 -58.626 -5.443 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 0.849 -59.481 0.227 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 0.891 -60.107 0.951 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 1.552 -58.858 0.409 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 -0.907 -59.209 -3.719 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 -0.693 -59.979 -3.192 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 -0.169 -59.120 -4.322 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 10.011 -62.269 -0.632 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 10.154 -63.216 -0.612 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 9.905 -62.062 -1.561 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 -0.214 -61.771 -2.598 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 0.440 -62.321 -2.166 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 -0.190 -62.045 -3.514 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 4.942 -60.221 -3.382 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 5.558 -60.747 -2.873 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 4.356 -60.861 -3.786 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 15.925 -63.584 2.137 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 15.236 -62.926 2.042 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 15.940 -63.781 3.074 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 -0.926 -55.939 -7.429 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 -1.198 -55.710 -8.318 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 -0.881 -55.101 -6.969 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 8.269 -59.107 -7.333 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 7.557 -58.572 -7.684 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 8.960 -59.051 -7.993 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 11.675 -58.897 -6.381 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 10.943 -58.669 -5.808 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 12.122 -59.611 -5.926 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 3.320 -58.267 -4.498 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 2.990 -58.637 -5.317 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 3.908 -58.937 -4.152 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 3.687 -59.498 -0.865 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 4.252 -59.377 -1.628 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 4.006 -58.861 -0.226 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 10.546 -59.735 -8.696 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 11.125 -59.585 -7.949 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 10.960 -59.264 -9.419 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 1.487 -58.901 3.081 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 1.557 -58.250 3.779 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 0.596 -58.798 2.746 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 2.310 -59.197 -6.909 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 2.018 -58.429 -7.400 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 1.636 -59.857 -7.072 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 15.434 -53.619 -10.506 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 15.507 -52.680 -10.336 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 16.339 -53.924 -10.563 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 -1.597 -56.834 1.906 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 -2.098 -56.862 1.091 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 -1.591 -57.740 2.216 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 13.503 -61.895 4.952 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 13.096 -61.414 4.232 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 13.544 -62.800 4.645 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 11.260 -63.563 3.173 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 10.746 -63.689 3.970 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 11.105 -62.651 2.928 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 12.023 -58.702 -11.066 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 12.065 -58.925 -11.996 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 12.872 -58.304 -10.876 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 3.362 -62.075 0.040 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 2.720 -62.116 0.749 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 3.399 -61.149 -0.198 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 8.895 -61.438 -6.231 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 8.486 -60.623 -6.523 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 9.615 -61.578 -6.846 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 7.997 -61.263 5.257 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 7.434 -61.967 5.577 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 8.823 -61.383 5.724 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 9.899 -61.992 -3.417 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 9.704 -61.387 -4.132 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 10.081 -62.826 -3.852 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 1.112 -61.755 1.907 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 1.074 -61.355 2.775 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 0.621 -62.572 1.997 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 7.261 -61.639 -2.075 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 7.825 -62.186 -2.622 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 7.113 -62.161 -1.286 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 5.887 -63.251 0.339 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 5.052 -62.797 0.449 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 6.411 -62.975 1.091 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 6.431 -57.038 -7.976 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 5.687 -57.545 -8.299 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 6.297 -56.989 -7.030 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 8.557 -55.579 -8.951 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 8.262 -54.753 -8.569 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 7.854 -56.199 -8.755 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 -1.436 -59.282 3.108 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 -1.213 -59.700 3.940 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 -2.038 -59.895 2.686 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 5.581 -59.765 5.321 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 5.285 -59.931 4.426 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 6.512 -59.985 5.311 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 14.228 -53.361 -7.957 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 13.855 -54.187 -7.647 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 14.505 -53.544 -8.854 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 5.358 -56.562 -5.226 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 5.117 -55.637 -5.184 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 4.618 -57.021 -4.830 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 11.620 -55.385 -10.136 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 11.973 -55.765 -9.332 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 10.671 -55.478 -10.050 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 16.124 -50.905 -9.935 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 16.867 -50.319 -10.075 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 15.429 -50.337 -9.602 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 5.711 -54.273 -11.689 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 5.950 -55.021 -12.237 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 5.442 -54.661 -10.857 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 4.648 -54.703 -9.233 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 4.795 -55.223 -8.443 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 4.645 -53.796 -8.927 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 1.101 -57.450 -8.723 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 0.415 -57.098 -8.156 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 1.624 -56.687 -8.969 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 8.933 -64.788 1.556 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 9.631 -64.714 2.206 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 8.552 -65.652 1.711 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 7.453 -62.422 2.673 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 7.572 -61.848 3.430 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 8.108 -63.110 2.788 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 4.724 -51.962 -8.502 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 4.885 -51.162 -9.003 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 4.527 -51.655 -7.617 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 12.259 -60.764 -2.396 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 11.462 -61.179 -2.725 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 12.704 -61.455 -1.905 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 1.717 -54.836 -9.826 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 2.309 -54.137 -9.550 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 2.176 -55.269 -10.545 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 -1.033 -57.027 6.408 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 -0.889 -57.929 6.122 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 -1.806 -56.741 5.920 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 8.660 -55.636 -11.724 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 8.392 -55.456 -10.823 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 8.454 -56.562 -11.855 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 -0.201 -59.827 5.828 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 0.207 -60.684 5.707 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 -0.461 -59.812 6.749 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 3.746 -60.818 3.202 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 3.128 -60.143 3.483 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 4.090 -60.497 2.369 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 8.766 -58.347 6.480 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 9.719 -58.263 6.452 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 8.606 -59.058 7.099 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 4.086 -63.463 4.285 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 4.236 -64.192 3.682 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 4.088 -62.686 3.726 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 4.498 -65.093 1.777 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 5.034 -64.642 1.125 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 3.646 -65.201 1.355 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 10.496 -61.839 7.045 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 10.688 -62.770 6.934 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 11.353 -61.414 7.035 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 2.564 -62.265 6.196 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 1.797 -62.797 5.986 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 3.243 -62.575 5.597 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 6.568 -63.315 5.772 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 6.332 -63.535 6.674 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 5.785 -63.522 5.263 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 9.284 -64.188 4.848 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 8.336 -64.156 4.980 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 9.596 -64.813 5.502 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 -2.357 -49.748 -5.330 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 -3.004 -50.210 -5.863 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 -2.002 -50.420 -4.747 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 15.377 -57.244 -7.471 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 16.227 -56.823 -7.343 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 15.382 -57.984 -6.863 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 15.771 -59.191 -5.647 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 15.045 -59.670 -5.249 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 16.352 -58.985 -4.915 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 13.558 -60.670 -5.084 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 13.408 -61.615 -5.104 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 13.204 -60.389 -4.240 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 -1.407 -58.592 -1.074 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 -1.223 -58.674 -2.009 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 -0.558 -58.716 -0.650 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 15.911 -60.797 5.239 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 15.048 -61.176 5.074 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 16.515 -61.536 5.165 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 13.880 -62.506 -1.186 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 14.813 -62.294 -1.220 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 13.645 -62.404 -0.263 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 13.909 -61.769 1.590 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 13.066 -61.501 1.956 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 14.352 -60.947 1.379 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 -0.793 -51.761 -8.042 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 -1.478 -51.799 -8.710 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 -0.790 -50.848 -7.754 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 1.025 -50.841 -11.017 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 0.757 -50.554 -10.144 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 1.796 -51.387 -10.865 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 9.548 -58.351 14.071 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 9.637 -57.407 13.939 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 8.909 -58.626 13.413 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 8.481 -59.096 17.490 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 8.443 -59.742 18.195 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 8.158 -59.562 16.719 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 12.187 -56.157 15.792 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 11.746 -56.877 16.242 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 12.174 -55.436 16.422 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 -0.907 -59.209 15.137 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 -0.693 -59.979 15.664 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 -0.169 -59.120 14.534 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 6.870 -56.663 17.896 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 7.174 -57.349 17.302 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 7.592 -56.545 18.514 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 4.942 -60.221 15.474 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 5.558 -60.747 15.983 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 4.356 -60.861 15.070 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 9.345 -55.750 13.114 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 9.049 -56.072 12.263 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 9.021 -54.850 13.156 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 4.545 -57.574 19.858 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 3.805 -56.976 19.961 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 5.259 -57.020 19.542 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 2.953 -55.610 20.645 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 2.947 -54.731 20.267 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 2.099 -55.693 21.070 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 -0.926 -55.939 11.427 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 -1.198 -55.710 10.538 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 -0.881 -55.101 11.887 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 10.951 -52.536 14.765 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 11.376 -53.243 14.280 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 11.268 -51.735 14.348 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 12.110 -54.635 13.274 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 11.853 -55.325 12.662 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 12.181 -55.078 14.119 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 13.796 -56.069 21.751 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 13.936 -56.660 21.012 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 13.964 -55.196 21.395 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 8.269 -59.107 11.523 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 7.557 -58.572 11.172 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 8.960 -59.051 10.863 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 8.323 -60.649 8.562 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 9.024 -60.627 9.213 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 8.625 -61.277 7.906 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 11.675 -58.897 12.475 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 10.943 -58.669 13.048 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 12.122 -59.611 12.930 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 3.320 -58.267 14.358 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 2.990 -58.637 13.539 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 3.908 -58.937 14.704 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 3.687 -59.498 17.991 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 4.252 -59.377 17.228 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 4.006 -58.861 18.630 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 4.567 -55.099 22.708 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 4.255 -54.317 23.164 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 3.917 -55.252 22.022 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 10.546 -59.735 10.160 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 11.125 -59.585 10.907 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 10.960 -59.264 9.437 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 8.272 -52.998 13.595 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 8.746 -52.703 14.373 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 7.709 -52.260 13.362 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 2.806 -53.027 23.472 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 2.814 -53.163 22.524 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 1.890 -53.145 23.724 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 2.310 -59.197 11.947 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 2.018 -58.429 11.456 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 1.636 -59.857 11.784 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 -1.597 -56.834 20.762 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 -2.098 -56.862 19.947 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 -1.591 -57.740 21.072 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 -1.846 -54.054 17.646 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 -0.900 -54.198 17.627 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 -1.959 -53.270 18.183 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 16.351 -53.388 23.328 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 16.302 -54.343 23.291 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 15.525 -53.120 23.730 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 10.846 -50.888 9.013 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 11.221 -51.632 8.542 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 10.850 -51.158 9.931 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 10.515 -50.962 11.762 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 9.580 -50.862 11.941 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 10.795 -51.671 12.340 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 0.652 -55.511 21.805 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 0.869 -55.872 22.665 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 -0.203 -55.885 21.595 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 3.359 -61.854 13.808 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 2.466 -62.195 13.749 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 3.810 -62.231 13.052 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 9.163 -60.354 20.110 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 9.487 -60.985 19.467 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 8.723 -60.889 20.771 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 4.422 -62.798 11.377 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 5.354 -62.669 11.555 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 4.207 -62.128 10.728 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 3.096 -61.603 8.944 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 2.554 -61.983 8.253 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 3.930 -61.409 8.515 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 13.633 -49.520 24.435 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 13.833 -49.096 23.600 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 14.289 -49.177 25.042 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 13.581 -57.905 19.666 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 14.223 -57.448 19.123 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 12.751 -57.792 19.204 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 7.951 -56.854 22.117 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 7.605 -57.235 22.923 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 7.751 -55.920 22.188 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 11.047 -62.357 10.740 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 11.939 -62.494 11.059 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 11.104 -61.566 10.203 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 1.556 -57.743 16.649 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 2.301 -57.745 16.048 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 1.634 -58.567 17.131 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 8.557 -55.579 9.905 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 8.262 -54.753 10.287 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 7.854 -56.199 10.101 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 15.932 -62.147 10.434 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 15.378 -62.543 9.762 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 16.033 -61.237 10.157 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 14.228 -53.361 10.899 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 13.855 -54.187 11.209 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 14.505 -53.544 10.002 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 11.388 -58.553 17.921 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 10.460 -58.785 17.894 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 11.839 -59.330 17.591 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 -0.314 -59.363 8.641 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 0.302 -58.736 9.020 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 -1.176 -59.047 8.912 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 16.124 -50.905 8.921 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 16.867 -50.319 8.781 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 15.429 -50.337 9.254 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 12.486 -56.712 10.946 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 12.209 -57.440 11.502 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 13.413 -56.593 11.152 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 -0.151 -52.724 19.957 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 0.066 -53.656 19.926 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 0.096 -52.450 20.841 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 0.033 -62.172 8.146 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 -0.012 -61.233 8.325 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 -0.855 -62.408 7.876 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 13.346 -51.508 18.082 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 13.190 -50.830 17.425 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 14.278 -51.436 18.285 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 -0.940 -50.837 24.310 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 -0.400 -51.054 25.069 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 -1.421 -51.643 24.120 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 3.657 -51.918 25.930 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 4.425 -52.377 26.271 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 3.636 -52.144 25.000 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 10.234 -53.538 24.659 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 9.883 -54.394 24.902 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 10.960 -53.395 25.266 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 5.622 -57.057 24.697 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 5.294 -56.786 23.839 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 5.774 -57.998 24.609 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 8.660 -55.636 7.132 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 8.392 -55.456 8.033 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 8.454 -56.562 7.001 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 11.357 -57.141 22.080 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 12.102 -56.553 21.960 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 10.600 -56.559 22.143 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 5.528 -60.468 7.965 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 5.348 -60.622 7.037 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 6.479 -60.360 8.009 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 8.766 -58.347 25.336 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 9.719 -58.263 25.308 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 8.606 -59.058 25.955 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 6.080 -59.654 20.873 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 6.831 -59.810 20.300 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 5.741 -58.802 20.597 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 11.812 -59.050 23.979 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 11.531 -58.341 23.401 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 12.755 -59.123 23.828 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 -1.006 -55.141 8.449 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 -0.092 -55.062 8.722 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 -0.999 -55.828 7.782 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 16.062 -50.858 18.311 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 16.040 -50.673 19.250 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 16.752 -50.289 17.970 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 15.625 -51.291 21.233 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 15.138 -52.026 20.862 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 16.174 -51.684 21.911 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 15.377 -57.244 11.385 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 16.227 -56.823 11.513 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 15.382 -57.984 11.993 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 15.771 -59.191 13.209 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 15.045 -59.670 13.607 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 16.352 -58.985 13.941 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 15.530 -56.406 18.157 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 16.364 -56.784 17.876 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 15.642 -55.463 18.038 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 14.017 -53.528 20.464 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 13.369 -53.203 21.089 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 13.499 -53.968 19.789 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 16.039 -59.290 9.600 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 15.518 -58.933 8.881 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 16.006 -58.615 10.278 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 14.388 -62.050 8.151 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 14.485 -61.383 7.471 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 14.248 -62.866 7.669 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 -1.407 -58.592 17.782 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 -1.223 -58.674 16.847 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 -0.558 -58.716 18.206 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 12.800 -50.768 13.883 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 13.453 -51.115 13.275 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 13.311 -50.279 14.529 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 3.139 -52.864 20.685 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 2.714 -52.055 20.402 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 4.044 -52.779 20.383 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 12.651 -49.672 20.178 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 12.469 -48.756 19.967 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 12.827 -50.082 19.331 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 14.780 -50.988 11.891 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 14.586 -51.736 11.326 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 14.741 -50.230 11.307 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 13.998 -52.237 24.041 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 13.216 -52.423 23.521 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 13.926 -51.308 24.258 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 10.846 -50.888 27.869 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 11.221 -51.632 27.398 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 10.850 -51.158 28.787 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 5.711 -54.273 26.023 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 5.950 -55.021 25.475 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 5.442 -54.661 26.855 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 7.749 -52.410 26.161 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 7.105 -53.041 26.483 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 8.511 -52.941 25.929 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 12.353 -52.593 26.395 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 12.636 -53.387 26.848 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 13.093 -52.360 25.834 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 8.660 -55.636 25.988 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 8.392 -55.456 26.889 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 8.454 -56.562 25.857 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 5.426 -49.777 27.822 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 6.359 -49.619 27.966 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 5.162 -49.102 27.197 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 8.071 -50.551 28.067 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 8.937 -50.185 27.889 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 7.824 -50.991 27.254 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 1.025 -50.841 26.695 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 0.757 -50.554 27.568 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 1.796 -51.387 26.847 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 9.548 -39.495 -23.641 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 9.637 -38.551 -23.773 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 8.909 -39.770 -24.299 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 8.481 -40.240 -20.222 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 8.443 -40.886 -19.517 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 8.158 -40.706 -20.993 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 12.187 -37.301 -21.920 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 11.746 -38.021 -21.470 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 12.174 -36.580 -21.290 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 -1.617 -42.515 -24.701 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 -2.065 -41.669 -24.719 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 -2.178 -43.095 -25.216 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 9.298 -32.196 -21.708 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 9.918 -32.873 -21.981 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 9.090 -32.414 -20.800 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 6.870 -37.807 -19.816 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 7.174 -38.493 -20.410 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 7.592 -37.689 -19.198 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 10.011 -43.413 -19.488 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 10.154 -44.360 -19.468 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 9.905 -43.206 -20.417 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 4.942 -41.365 -22.238 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 5.558 -41.891 -21.729 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 4.356 -42.005 -22.642 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 15.925 -44.728 -16.719 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 15.236 -44.070 -16.814 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 15.940 -44.925 -15.782 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 12.999 -47.175 -18.155 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 12.263 -46.564 -18.193 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 13.683 -46.760 -18.681 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 6.002 -49.088 -20.689 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 5.885 -50.037 -20.743 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 5.147 -48.756 -20.416 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 10.951 -33.680 -22.947 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 11.376 -34.387 -23.432 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 11.268 -32.879 -23.364 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 12.110 -35.779 -24.438 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 11.853 -36.469 -25.050 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 12.181 -36.222 -23.593 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 15.638 -40.873 -17.895 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 14.986 -40.178 -17.806 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 16.103 -40.663 -18.705 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 11.572 -41.867 -16.169 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 11.652 -41.104 -15.597 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 10.971 -41.588 -16.860 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 3.320 -39.411 -23.354 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 2.990 -39.781 -24.173 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 3.908 -40.081 -23.008 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 4.687 -35.983 -20.673 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 4.592 -36.561 -21.430 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 5.416 -36.354 -20.177 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 2.310 -40.341 -25.765 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 2.018 -39.573 -26.256 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 1.636 -41.001 -25.928 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 1.398 -32.397 -23.921 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 1.550 -32.745 -23.042 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 0.547 -32.753 -24.176 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 7.934 -48.463 -16.537 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 8.354 -48.878 -15.784 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 7.001 -48.641 -16.420 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 11.260 -44.707 -15.683 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 10.746 -44.833 -14.886 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 11.105 -43.795 -15.928 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 3.359 -42.998 -23.904 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 2.466 -43.339 -23.963 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 3.810 -43.375 -24.660 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 8.895 -42.582 -25.087 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 8.486 -41.767 -25.379 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 9.615 -42.722 -25.702 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 9.899 -43.136 -22.273 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 9.704 -42.531 -22.988 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 10.081 -43.970 -22.708 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 -2.280 -45.783 -23.099 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 -1.649 -45.812 -22.379 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 -1.830 -46.208 -23.829 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 5.941 -45.571 -22.818 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 5.030 -45.514 -22.529 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 6.446 -45.631 -22.007 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 0.769 -43.942 -23.991 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 -0.120 -43.842 -24.331 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 1.065 -44.784 -24.337 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 4.422 -43.942 -26.335 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 5.354 -43.813 -26.157 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 4.207 -43.272 -26.984 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 10.346 -46.336 -19.554 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 9.669 -46.205 -18.890 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 9.860 -46.491 -20.364 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 2.263 -46.647 -24.513 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 1.946 -47.549 -24.548 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 3.044 -46.645 -25.065 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 15.896 -37.491 -14.441 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 15.044 -37.253 -14.808 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 16.486 -37.508 -15.194 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 11.388 -39.697 -19.791 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 10.460 -39.929 -19.818 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 11.839 -40.474 -20.121 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 3.931 -35.369 -23.658 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 4.458 -34.596 -23.859 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 3.051 -35.144 -23.960 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 5.358 -37.706 -24.082 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 5.117 -36.781 -24.040 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 4.618 -38.165 -23.686 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 5.873 -33.557 -17.767 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 6.236 -32.702 -18.000 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 6.405 -33.849 -17.026 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 8.933 -45.932 -17.300 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 9.631 -45.858 -16.650 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 8.552 -46.796 -17.145 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 6.917 -44.552 -25.368 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 7.729 -44.048 -25.322 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 6.672 -44.697 -24.454 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 7.801 -47.471 -24.430 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 7.454 -46.853 -23.785 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 8.459 -46.970 -24.911 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 13.657 -45.659 -15.348 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 12.741 -45.396 -15.436 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 13.993 -45.662 -16.245 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 12.259 -41.908 -21.252 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 11.462 -42.323 -21.581 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 12.704 -42.599 -20.761 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 0.841 -48.534 -20.893 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 0.612 -48.475 -21.820 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 0.398 -49.326 -20.586 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 -0.229 -34.594 -24.732 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 -1.061 -34.121 -24.705 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 0.317 -34.084 -25.331 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 3.657 -33.062 -11.782 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 4.425 -33.521 -11.441 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 3.636 -33.288 -12.712 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 5.304 -48.781 -16.647 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 5.206 -47.834 -16.753 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 4.561 -49.153 -17.123 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 9.284 -45.332 -14.008 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 8.336 -45.300 -13.876 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 9.596 -45.957 -13.354 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 5.526 -49.487 -13.976 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 6.238 -50.127 -13.990 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 5.425 -49.220 -14.890 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 -2.357 -30.892 -24.186 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 -3.004 -31.354 -24.719 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 -2.002 -31.564 -23.603 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 -1.487 -32.811 -22.381 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 -1.821 -33.692 -22.209 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 -1.265 -32.466 -21.517 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 15.530 -37.550 -19.555 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 16.364 -37.928 -19.836 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 15.642 -36.607 -19.674 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 14.414 -39.844 -14.301 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 14.997 -40.578 -14.110 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 14.978 -39.072 -14.255 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 15.911 -41.941 -13.617 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 15.048 -42.320 -13.782 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 16.515 -42.680 -13.691 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 13.909 -42.913 -17.266 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 13.066 -42.645 -16.900 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 14.352 -42.091 -17.477 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 -0.588 -46.153 -20.898 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 -0.143 -46.945 -20.596 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 -0.122 -45.437 -20.467 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 12.800 -31.912 -23.829 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 13.453 -32.259 -24.437 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 13.311 -31.423 -23.183 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 -2.007 -48.158 -17.430 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 -2.672 -48.404 -16.787 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 -2.450 -47.536 -18.007 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 7.450 -32.609 -14.068 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 7.635 -32.943 -13.190 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 8.297 -32.300 -14.390 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 14.713 -48.734 -15.744 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 13.900 -48.409 -16.132 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 14.946 -49.494 -16.277 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 3.008 -31.152 -17.950 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 2.143 -31.080 -17.546 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 2.953 -30.605 -18.734 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 7.719 -31.264 -18.774 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 7.262 -30.735 -19.428 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 7.882 -30.661 -18.049 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 10.046 -32.386 -17.829 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 9.142 -32.221 -18.095 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 10.475 -31.533 -17.895 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 2.097 -33.419 -21.414 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 1.878 -34.335 -21.245 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 2.921 -33.279 -20.948 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 4.634 -32.949 -20.566 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 4.847 -33.837 -20.853 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 4.699 -32.983 -19.611 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 8.143 -47.285 -21.421 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 7.468 -47.914 -21.166 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 8.707 -47.769 -22.024 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 0.469 -48.651 -23.599 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 -0.308 -48.885 -24.107 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 1.000 -49.448 -23.591 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 5.049 -48.724 -23.786 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 5.923 -48.336 -23.816 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 4.913 -48.939 -22.863 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 0.427 -48.137 -14.082 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 0.061 -48.902 -13.639 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 1.340 -48.108 -13.795 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 -0.314 -40.507 -10.215 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 0.302 -39.880 -9.836 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 -1.176 -40.191 -9.944 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 1.717 -35.980 -9.826 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 2.309 -35.281 -9.550 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 2.176 -36.413 -10.545 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 -1.006 -36.285 -10.407 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 -0.092 -36.206 -10.134 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 -0.999 -36.972 -11.074 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 15.771 -40.335 -5.647 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 15.045 -40.814 -5.249 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 16.352 -40.129 -4.915 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 -1.971 -46.896 -6.918 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 -2.896 -46.687 -7.048 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 -1.517 -46.412 -7.608 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 -0.793 -32.905 -8.042 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 -1.478 -32.943 -8.710 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 -0.790 -31.992 -7.754 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 1.025 -31.985 -11.017 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 0.757 -31.698 -10.144 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 1.796 -32.531 -10.865 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 15.533 -46.206 18.757 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 15.582 -45.596 19.493 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 15.959 -45.745 18.034 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 15.925 -44.728 20.993 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 15.236 -44.070 20.898 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 15.940 -44.925 21.930 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 13.503 -43.039 23.808 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 13.096 -42.558 23.088 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 13.544 -43.944 23.501 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 15.896 -37.491 23.271 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 15.044 -37.253 22.904 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 16.486 -37.508 22.518 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 13.657 -45.659 22.364 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 12.741 -45.396 22.276 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 13.993 -45.662 21.467 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 3.657 -33.062 25.930 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 4.425 -33.521 26.271 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 3.636 -33.288 25.000 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 10.496 -42.983 25.901 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 10.688 -43.914 25.790 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 11.353 -42.558 25.891 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 10.918 -46.698 25.709 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 10.821 -47.650 25.703 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 10.596 -46.429 26.570 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 14.076 -36.645 25.871 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 13.210 -36.750 26.265 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 14.452 -35.886 26.318 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 15.911 -41.941 24.095 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 15.048 -42.320 23.930 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 16.515 -42.680 24.021 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 15.712 -46.824 24.149 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 14.795 -46.553 24.113 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 15.835 -47.359 23.365 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 14.713 -48.734 21.968 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 13.900 -48.409 21.580 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 14.946 -49.494 21.435 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 13.285 -49.178 16.403 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 13.889 -48.630 15.902 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 12.416 -48.858 16.163 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 15.012 -48.039 14.737 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 15.624 -48.553 14.210 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 15.395 -47.161 14.760 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 11.959 -48.668 11.268 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 11.256 -48.054 11.058 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 11.514 -49.506 11.399 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 0.427 -48.137 23.630 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 0.061 -48.902 24.073 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 1.340 -48.108 23.917 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 2.400 -48.786 25.166 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 3.299 -49.060 24.981 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 2.014 -49.529 25.630 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 10.822 -49.454 25.348 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 10.898 -49.880 26.202 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 11.715 -49.440 25.006 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 -1.617 -42.515 31.867 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 -2.065 -41.669 31.849 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 -2.178 -43.095 31.352 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 -0.926 -37.083 30.283 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 -1.198 -36.854 29.394 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 -0.881 -36.245 30.743 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 8.269 -40.251 30.379 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 7.557 -39.716 30.028 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 8.960 -40.195 29.719 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 8.323 -41.793 27.418 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 9.024 -41.771 28.069 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 8.625 -42.421 26.762 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 10.546 -40.879 29.016 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 11.125 -40.729 29.763 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 10.960 -40.408 28.293 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 2.310 -40.341 30.803 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 2.018 -39.573 30.312 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 1.636 -41.001 30.640 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 15.434 -34.763 27.206 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 15.507 -33.824 27.376 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 16.339 -35.068 27.149 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 10.846 -32.032 27.869 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 11.221 -32.776 27.398 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 10.850 -32.302 28.787 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 10.515 -32.106 30.618 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 9.580 -32.006 30.797 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 10.795 -32.815 31.196 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 7.596 -45.970 27.316 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 7.342 -45.951 28.239 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 7.339 -46.842 27.015 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 3.359 -42.998 32.664 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 2.466 -43.339 32.605 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 3.810 -43.375 31.908 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 4.478 -45.525 26.417 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 4.047 -45.970 27.147 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 3.760 -45.153 25.905 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 -1.005 -45.037 28.893 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 -0.531 -44.446 28.308 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 -1.723 -44.506 29.240 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 0.769 -43.942 32.577 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 -0.120 -43.842 32.237 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 1.065 -44.784 32.231 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 4.422 -43.942 30.233 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 5.354 -43.813 30.411 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 4.207 -43.272 29.584 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 6.431 -38.182 29.736 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 5.687 -38.689 29.413 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 6.297 -38.133 30.682 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 10.329 -45.368 27.935 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 9.391 -45.256 27.784 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 10.626 -44.511 28.241 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 8.557 -36.723 28.761 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 8.262 -35.897 29.143 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 7.854 -37.343 28.957 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 14.228 -34.505 29.755 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 13.855 -35.331 30.065 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 14.505 -34.688 28.858 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 11.620 -36.529 27.576 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 11.973 -36.909 28.380 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 10.671 -36.622 27.662 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 16.124 -32.049 27.777 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 16.867 -31.463 27.637 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 15.429 -31.481 28.110 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 12.486 -37.856 29.802 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 12.209 -38.584 30.358 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 13.413 -37.737 30.008 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 4.648 -35.847 28.479 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 4.795 -36.367 29.269 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 4.645 -34.940 28.785 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 1.101 -38.594 28.989 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 0.415 -38.242 29.556 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 1.624 -37.831 28.743 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 7.386 -34.149 29.228 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 6.569 -33.652 29.281 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 7.915 -33.674 28.588 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 4.724 -33.106 29.210 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 4.885 -32.306 28.709 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 4.527 -32.799 30.095 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 3.458 -46.408 28.826 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 3.375 -45.519 29.172 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 4.348 -46.673 29.057 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 1.717 -35.980 27.886 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 2.309 -35.281 28.162 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 2.176 -36.413 27.167 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 -0.229 -34.594 31.836 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 -1.061 -34.121 31.863 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 0.317 -34.084 31.237 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 7.749 -33.554 26.161 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 7.105 -34.185 26.483 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 8.511 -34.085 25.929 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 4.457 -39.855 28.558 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 3.998 -40.339 29.244 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 4.712 -40.523 27.922 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 14.918 -39.257 26.266 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 14.645 -39.682 25.453 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 14.958 -38.326 26.049 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 5.426 -30.921 27.822 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 6.359 -30.763 27.966 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 5.162 -30.246 27.197 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 16.039 -40.434 28.456 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 15.518 -40.077 27.737 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 16.006 -39.759 29.134 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 14.388 -43.194 27.007 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 14.485 -42.527 26.327 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 14.248 -44.010 26.525 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 13.636 -45.786 26.124 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 14.246 -46.158 26.761 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 12.799 -46.208 26.320 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 -1.971 -46.896 30.794 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 -2.896 -46.687 30.664 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 -1.517 -46.412 30.104 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 -0.694 -48.853 28.772 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 -0.255 -48.242 28.181 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 -1.328 -48.315 29.246 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 -0.793 -32.905 29.670 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 -1.478 -32.943 29.002 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 -0.790 -31.992 29.958 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 1.167 -46.937 27.215 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 1.658 -47.567 26.687 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 1.790 -46.641 27.878 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 6.193 -46.644 29.672 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 6.371 -47.290 30.355 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 6.139 -45.810 30.139 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 8.071 -31.695 28.067 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 8.937 -31.329 27.889 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 7.824 -32.135 27.254 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 14.780 -32.132 30.747 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 14.586 -32.880 30.182 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 14.741 -31.374 30.163 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 9.548 -20.639 -23.641 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 9.637 -19.695 -23.773 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 8.909 -20.914 -24.299 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 0.849 -21.769 -18.629 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 0.891 -22.395 -17.905 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 1.552 -21.146 -18.447 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 12.187 -18.445 -21.920 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 11.746 -19.165 -21.470 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 12.174 -17.724 -21.290 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 6.870 -18.951 -19.816 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 7.174 -19.637 -20.410 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 7.592 -18.833 -19.198 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 15.533 -27.350 -18.955 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 15.582 -26.740 -18.219 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 15.959 -26.889 -19.678 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 3.166 -26.456 -22.216 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 3.209 -25.596 -22.634 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 2.708 -27.008 -22.849 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 10.888 -26.325 -23.815 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 11.534 -26.654 -23.190 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 11.398 -25.807 -24.438 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 4.942 -22.509 -22.238 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 5.558 -23.035 -21.729 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 4.356 -23.149 -22.642 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 1.976 -27.538 -18.142 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 1.757 -27.008 -18.908 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 1.308 -27.311 -17.494 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 9.345 -18.038 -24.598 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 9.049 -18.360 -25.449 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 9.021 -17.138 -24.556 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 4.545 -19.862 -17.854 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 3.805 -19.264 -17.751 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 5.259 -19.308 -18.170 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 12.652 -27.034 -21.834 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 12.437 -27.800 -21.302 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 13.308 -26.562 -21.321 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 1.570 -25.646 -20.189 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 2.183 -25.013 -19.816 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 2.082 -26.118 -20.846 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 2.953 -17.898 -17.067 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 2.947 -17.019 -17.445 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 2.099 -17.981 -16.642 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 12.699 -16.605 -19.572 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 11.757 -16.547 -19.411 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 12.975 -15.699 -19.709 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 6.002 -30.232 -20.689 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 5.885 -31.181 -20.743 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 5.147 -29.900 -20.416 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 13.796 -18.357 -15.961 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 13.936 -18.948 -16.700 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 13.964 -17.484 -16.317 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 8.269 -21.395 -26.189 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 7.557 -20.860 -26.540 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 8.960 -21.339 -26.849 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 15.638 -22.017 -17.895 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 14.986 -21.322 -17.806 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 16.103 -21.807 -18.705 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 11.675 -21.185 -25.237 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 10.943 -20.957 -24.664 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 12.122 -21.899 -24.782 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 3.320 -20.555 -23.354 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 2.990 -20.925 -24.173 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 3.908 -21.225 -23.008 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 4.687 -17.127 -20.673 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 4.592 -17.705 -21.430 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 5.416 -17.498 -20.177 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 3.687 -21.786 -19.721 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 4.252 -21.665 -20.484 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 4.006 -21.149 -19.082 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 9.996 -16.283 -18.987 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 9.755 -15.621 -18.339 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 9.798 -17.117 -18.562 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 4.567 -17.387 -15.004 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 4.255 -16.605 -14.548 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 3.917 -17.540 -15.690 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 1.487 -21.189 -15.775 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 1.557 -20.538 -15.077 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 0.596 -21.086 -16.110 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 2.806 -15.315 -14.240 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 2.814 -15.451 -15.188 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 1.890 -15.433 -13.988 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 -1.597 -19.122 -16.950 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 -2.098 -19.150 -17.765 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 -1.591 -20.028 -16.640 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 7.330 -16.102 -15.508 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 7.417 -15.276 -15.033 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 6.466 -16.432 -15.259 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 0.652 -17.799 -15.907 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 0.869 -18.160 -15.047 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 -0.203 -18.173 -16.117 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 3.271 -29.329 -19.911 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 2.410 -29.416 -20.319 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 3.249 -28.473 -19.484 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 7.934 -29.607 -16.537 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 8.354 -30.022 -15.784 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 7.001 -29.785 -16.420 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 3.362 -24.363 -18.816 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 2.720 -24.404 -18.107 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 3.399 -23.437 -19.054 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 3.359 -24.142 -23.904 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 2.466 -24.483 -23.963 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 3.810 -24.519 -24.660 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 8.895 -23.726 -25.087 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 8.486 -22.911 -25.379 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 9.615 -23.866 -25.702 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 1.112 -24.043 -16.949 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 1.074 -23.643 -16.081 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 0.621 -24.860 -16.859 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 5.941 -26.715 -22.818 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 5.030 -26.658 -22.529 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 6.446 -26.775 -22.007 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 10.346 -27.480 -19.554 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 9.669 -27.349 -18.890 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 9.860 -27.635 -20.364 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 1.231 -19.334 -13.669 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 1.964 -19.080 -13.108 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 0.451 -19.130 -13.154 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 13.581 -20.193 -18.046 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 14.223 -19.736 -18.589 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 12.751 -20.080 -18.508 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 11.047 -24.645 -26.972 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 11.939 -24.782 -26.653 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 11.104 -23.854 -27.509 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 1.556 -20.031 -21.063 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 2.301 -20.033 -21.664 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 1.634 -20.855 -20.581 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 -1.436 -21.570 -15.748 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 -1.213 -21.988 -14.916 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 -2.038 -22.183 -16.170 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 10.201 -16.680 -15.645 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 9.300 -16.497 -15.913 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 10.235 -16.421 -14.724 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 15.896 -18.635 -14.441 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 15.044 -18.397 -14.808 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 16.486 -18.652 -15.194 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 5.358 -18.850 -24.082 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 5.117 -17.925 -24.040 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 4.618 -19.309 -23.686 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 5.873 -14.701 -17.767 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 6.236 -13.846 -18.000 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 6.405 -14.993 -17.026 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 0.198 -26.817 -16.190 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 -0.695 -26.478 -16.257 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 0.099 -27.672 -15.772 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 9.717 -27.424 -26.203 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 9.937 -26.952 -27.006 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 10.275 -27.029 -25.532 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 6.917 -25.696 -25.368 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 7.729 -25.192 -25.322 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 6.672 -25.841 -24.454 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 7.801 -28.615 -24.430 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 7.454 -27.997 -23.785 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 8.459 -28.114 -24.911 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 0.841 -29.678 -20.893 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 0.612 -29.619 -21.820 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 0.398 -30.470 -20.586 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 -0.940 -13.125 -13.402 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 -0.400 -13.342 -12.643 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 -1.421 -13.931 -13.592 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 3.657 -14.206 -11.782 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 4.425 -14.665 -11.441 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 3.636 -14.432 -12.712 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 10.234 -15.826 -13.053 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 9.883 -16.682 -12.810 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 10.960 -15.683 -12.446 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 4.498 -27.381 -17.079 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 5.034 -26.930 -17.731 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 3.646 -27.489 -17.501 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 5.304 -29.925 -16.647 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 5.206 -28.978 -16.753 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 4.561 -30.297 -17.123 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 5.526 -30.631 -13.976 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 6.238 -31.271 -13.990 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 5.425 -30.364 -14.890 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 14.076 -17.789 -11.841 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 13.210 -17.894 -11.447 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 14.452 -17.030 -11.394 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 15.530 -18.694 -19.555 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 16.364 -19.072 -19.836 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 15.642 -17.751 -19.674 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 14.017 -15.816 -17.248 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 13.369 -15.491 -16.623 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 13.499 -16.256 -17.923 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 13.558 -22.958 -23.940 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 13.408 -23.903 -23.960 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 13.204 -22.677 -23.096 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 14.414 -20.988 -14.301 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 14.997 -21.722 -14.110 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 14.978 -20.216 -14.255 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 15.911 -23.085 -13.617 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 15.048 -23.464 -13.782 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 16.515 -23.824 -13.691 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 13.268 -25.375 -25.478 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 13.548 -26.282 -25.353 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 14.027 -24.941 -25.867 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 13.880 -24.794 -20.042 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 14.813 -24.582 -20.076 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 13.645 -24.692 -19.119 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 -0.588 -27.297 -20.898 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 -0.143 -28.089 -20.596 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 -0.122 -26.581 -20.467 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 -2.007 -29.302 -17.430 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 -2.672 -29.548 -16.787 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 -2.450 -28.680 -18.007 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 0.185 -16.127 -13.286 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 -0.636 -15.952 -13.746 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 -0.067 -16.200 -12.365 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 0.541 -11.896 -16.980 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 -0.179 -11.456 -17.431 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 0.175 -12.147 -16.131 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 8.143 -28.429 -21.421 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 7.468 -29.058 -21.166 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 8.707 -28.913 -22.024 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 13.285 -30.322 -21.309 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 13.889 -29.774 -21.810 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 12.416 -30.002 -21.549 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 15.012 -29.183 -22.975 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 15.624 -29.697 -23.502 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 15.395 -28.305 -22.952 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 10.606 -29.838 -22.137 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 10.682 -29.743 -23.086 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 10.330 -30.746 -22.008 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 0.427 -29.281 -14.082 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 0.061 -30.046 -13.639 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 1.340 -29.252 -13.795 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 2.400 -29.930 -12.546 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 3.299 -30.204 -12.731 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 2.014 -30.673 -12.082 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 9.548 -20.639 -4.785 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 9.637 -19.695 -4.917 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 8.909 -20.914 -5.443 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 0.849 -21.769 0.227 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 0.891 -22.395 0.951 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 1.552 -21.146 0.409 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 12.187 -18.445 -3.064 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 11.746 -19.165 -2.614 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 12.174 -17.724 -2.434 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 9.298 -13.340 -2.852 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 9.918 -14.017 -3.125 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 9.090 -13.558 -1.944 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 -0.214 -24.059 -2.598 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 0.440 -24.609 -2.166 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 -0.190 -24.333 -3.514 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 1.976 -27.538 0.714 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 1.757 -27.008 -0.052 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 1.308 -27.311 1.362 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 9.345 -18.038 -5.742 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 9.049 -18.360 -6.593 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 9.021 -17.138 -5.700 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 1.570 -25.646 -1.333 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 2.183 -25.013 -0.960 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 2.082 -26.118 -1.990 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 12.699 -16.605 -0.716 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 11.757 -16.547 -0.555 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 12.975 -15.699 -0.853 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 10.951 -14.824 -4.091 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 11.376 -15.531 -4.576 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 11.268 -14.023 -4.508 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 12.110 -16.923 -5.582 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 11.853 -17.613 -6.194 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 12.181 -17.366 -4.737 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 11.675 -21.185 -6.381 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 10.943 -20.957 -5.808 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 12.122 -21.899 -5.926 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 9.996 -16.283 -0.131 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 9.755 -15.621 0.517 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 9.798 -17.117 0.294 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 4.567 -17.387 3.852 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 4.255 -16.605 4.308 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 3.917 -17.540 3.166 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 1.487 -21.189 3.081 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 1.557 -20.538 3.779 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 0.596 -21.086 2.746 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 8.272 -15.286 -5.261 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 8.746 -14.991 -4.483 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 7.709 -14.548 -5.494 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 2.806 -15.315 4.616 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 2.814 -15.451 3.668 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 1.890 -15.433 4.868 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 -1.597 -19.122 1.906 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 -2.098 -19.150 1.091 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 -1.591 -20.028 2.216 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 16.351 -15.676 4.472 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 16.302 -16.631 4.435 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 15.525 -15.408 4.874 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 7.330 -16.102 3.348 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 7.417 -15.276 3.823 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 6.466 -16.432 3.597 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 7.744 -12.330 -6.846 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 7.669 -12.451 -7.792 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 7.777 -11.380 -6.727 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 10.515 -13.250 -7.094 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 9.580 -13.150 -6.915 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 10.795 -13.959 -6.516 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 0.652 -17.799 2.949 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 0.869 -18.160 3.809 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 -0.203 -18.173 2.739 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 3.362 -24.363 0.040 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 2.720 -24.404 0.749 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 3.399 -23.437 -0.198 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 1.112 -24.043 1.907 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 1.074 -23.643 2.775 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 0.621 -24.860 1.997 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 -2.280 -26.927 -4.243 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 -1.649 -26.956 -3.523 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 -1.830 -27.352 -4.973 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 1.231 -19.334 5.187 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 1.964 -19.080 5.748 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 0.451 -19.130 5.702 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 2.263 -27.791 -5.657 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 1.946 -28.693 -5.692 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 3.044 -27.789 -6.209 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 8.557 -17.867 -8.951 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 8.262 -17.041 -8.569 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 7.854 -18.487 -8.755 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 -1.436 -21.570 3.108 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 -1.213 -21.988 3.940 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 -2.038 -22.183 2.686 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 11.388 -20.841 -0.935 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 10.460 -21.073 -0.962 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 11.839 -21.618 -1.265 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 5.873 -14.701 1.089 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 6.236 -13.846 0.856 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 6.405 -14.993 1.830 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 11.620 -17.673 -10.136 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 11.973 -18.053 -9.332 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 10.671 -17.766 -10.050 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 12.076 -14.050 3.259 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 11.474 -14.605 2.764 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 12.357 -13.383 2.633 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 0.198 -26.817 2.666 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 -0.695 -26.478 2.599 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 0.099 -27.672 3.084 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 12.486 -19.000 -7.910 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 12.209 -19.728 -7.354 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 13.413 -18.881 -7.704 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 5.711 -16.561 -11.689 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 5.950 -17.309 -12.237 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 5.442 -16.949 -10.857 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 7.386 -15.293 -8.484 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 6.569 -14.796 -8.431 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 7.915 -14.818 -9.124 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 4.724 -14.250 -8.502 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 4.885 -13.450 -9.003 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 4.527 -13.943 -7.617 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 3.458 -27.552 -8.886 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 3.375 -26.663 -8.540 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 4.348 -27.817 -8.655 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 12.259 -23.052 -2.396 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 11.462 -23.467 -2.725 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 12.704 -23.743 -1.905 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 13.346 -13.796 -0.774 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 13.190 -13.118 -1.431 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 14.278 -13.724 -0.571 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 0.841 -29.678 -2.037 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 0.612 -29.619 -2.964 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 0.398 -30.470 -1.730 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 -0.940 -13.125 5.454 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 -0.400 -13.342 6.213 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 -1.421 -13.931 5.264 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 3.657 -14.206 7.074 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 4.425 -14.665 7.415 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 3.636 -14.432 6.144 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 7.749 -14.698 -11.551 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 7.105 -15.329 -11.229 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 8.511 -15.229 -11.783 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 -1.033 -19.315 6.408 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 -0.889 -20.217 6.122 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 -1.806 -19.029 5.920 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 -0.201 -22.115 5.828 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 0.207 -22.972 5.707 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 -0.461 -22.100 6.749 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 3.746 -23.106 3.202 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 3.128 -22.431 3.483 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 4.090 -22.785 2.369 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 14.918 -20.401 -11.446 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 14.645 -20.826 -12.259 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 14.958 -19.470 -11.663 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 6.080 -21.942 2.017 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 6.831 -22.098 1.444 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 5.741 -21.090 1.741 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 5.426 -12.065 -9.890 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 6.359 -11.907 -9.746 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 5.162 -11.390 -10.515 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 16.062 -13.146 -0.545 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 16.040 -12.961 0.394 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 16.752 -12.577 -0.886 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 15.625 -13.579 2.377 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 15.138 -14.314 2.006 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 16.174 -13.972 3.055 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 14.076 -17.789 7.015 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 13.210 -17.894 7.409 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 14.452 -17.030 7.462 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 15.377 -19.532 -7.471 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 16.227 -19.111 -7.343 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 15.382 -20.272 -6.863 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 15.771 -21.479 -5.647 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 15.045 -21.958 -5.249 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 16.352 -21.273 -4.915 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 14.017 -15.816 1.608 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 13.369 -15.491 2.233 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 13.499 -16.256 0.933 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 16.039 -21.578 -9.256 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 15.518 -21.221 -9.975 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 16.006 -20.903 -8.578 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 13.558 -22.958 -5.084 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 13.408 -23.903 -5.104 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 13.204 -22.677 -4.240 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 -1.407 -20.880 -1.074 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 -1.223 -20.962 -2.009 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 -0.558 -21.004 -0.650 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 -1.809 -25.609 5.067 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 -0.890 -25.731 5.303 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 -2.259 -26.359 5.456 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 -0.588 -27.297 -2.042 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 -0.143 -28.089 -1.740 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 -0.122 -26.581 -1.611 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 -2.284 -24.298 -0.973 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 -1.792 -24.519 -1.763 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 -1.922 -23.457 -0.692 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 -1.971 -28.040 -6.918 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 -2.896 -27.831 -7.048 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 -1.517 -27.556 -7.608 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 0.185 -16.127 5.570 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 -0.636 -15.952 5.110 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 -0.067 -16.200 6.491 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 7.450 -13.753 4.788 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 7.635 -14.087 5.666 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 8.297 -13.444 4.466 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 9.795 -12.468 4.032 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 10.472 -13.100 3.792 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 10.117 -12.066 4.840 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 0.541 -11.896 1.876 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 -0.179 -11.456 1.425 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 0.175 -12.147 2.725 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 3.008 -12.296 0.906 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 2.143 -12.224 1.310 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 2.953 -11.749 0.122 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 7.719 -12.408 0.082 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 7.262 -11.879 -0.572 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 7.882 -11.805 0.807 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 10.046 -13.530 1.027 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 9.142 -13.365 0.761 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 10.475 -12.677 0.961 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 0.469 -29.795 -4.743 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 -0.308 -30.029 -5.251 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 1.000 -30.592 -4.735 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 -0.694 -29.997 -8.940 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 -0.255 -29.386 -9.531 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 -1.328 -29.459 -8.466 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 1.025 -13.129 -11.017 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 0.757 -12.842 -10.144 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 1.796 -13.675 -10.865 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 13.998 -14.525 5.185 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 13.216 -14.711 4.665 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 13.926 -13.596 5.402 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 9.548 -20.639 14.071 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 9.637 -19.695 13.939 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 8.909 -20.914 13.413 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 12.187 -18.445 15.792 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 11.746 -19.165 16.242 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 12.174 -17.724 16.422 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 9.298 -13.340 16.004 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 9.918 -14.017 15.731 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 9.090 -13.558 16.912 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 15.925 -25.872 20.993 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 15.236 -25.214 20.898 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 15.940 -26.069 21.930 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 9.345 -18.038 13.114 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 9.049 -18.360 12.263 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 9.021 -17.138 13.156 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 -0.926 -18.227 11.427 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 -1.198 -17.998 10.538 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 -0.881 -17.389 11.887 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 12.699 -16.605 18.140 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 11.757 -16.547 18.301 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 12.975 -15.699 18.003 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 13.796 -18.357 21.751 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 13.936 -18.948 21.012 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 13.964 -17.484 21.395 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 15.638 -22.017 19.817 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 14.986 -21.322 19.906 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 16.103 -21.807 19.007 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 11.675 -21.185 12.475 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 10.943 -20.957 13.048 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 12.122 -21.899 12.930 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 11.572 -23.011 21.543 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 11.652 -22.248 22.115 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 10.971 -22.732 20.852 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 9.996 -16.283 18.725 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 9.755 -15.621 19.373 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 9.798 -17.117 19.150 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 8.272 -15.286 13.595 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 8.746 -14.991 14.373 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 7.709 -14.548 13.362 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 2.310 -21.485 11.947 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 2.018 -20.717 11.456 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 1.636 -22.145 11.784 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 15.434 -15.907 8.350 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 15.507 -14.968 8.520 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 16.339 -16.212 8.293 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 7.330 -16.102 22.204 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 7.417 -15.276 22.679 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 6.466 -16.432 22.453 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 10.846 -13.176 9.013 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 11.221 -13.920 8.542 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 10.850 -13.446 9.931 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 13.503 -24.183 23.808 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 13.096 -23.702 23.088 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 13.544 -25.088 23.501 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 13.581 -20.193 19.666 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 14.223 -19.736 19.123 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 12.751 -20.080 19.204 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 10.201 -16.680 22.067 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 9.300 -16.497 21.799 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 10.235 -16.421 22.988 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 11.388 -20.841 17.921 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 10.460 -21.073 17.894 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 11.839 -21.618 17.591 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 3.931 -16.513 14.054 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 4.458 -15.740 13.853 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 3.051 -16.288 13.752 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 -0.314 -21.651 8.641 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 0.302 -21.024 9.020 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 -1.176 -21.335 8.912 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 5.358 -18.850 13.630 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 5.117 -17.925 13.672 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 4.618 -19.309 14.026 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 5.873 -14.701 19.945 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 6.236 -13.846 19.712 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 6.405 -14.993 20.686 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 4.042 -13.828 13.175 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 3.092 -13.723 13.227 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 4.393 -13.008 13.520 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 11.620 -17.673 8.720 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 11.973 -18.053 9.524 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 10.671 -17.766 8.806 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 12.486 -19.000 10.946 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 12.209 -19.728 11.502 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 13.413 -18.881 11.152 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 5.711 -16.561 7.167 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 5.950 -17.309 6.619 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 5.442 -16.949 7.999 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 4.648 -16.991 9.623 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 4.795 -17.511 10.413 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 4.645 -16.084 9.929 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 1.101 -19.738 10.133 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 0.415 -19.386 10.700 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 1.624 -18.975 9.887 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 7.386 -15.293 10.372 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 6.569 -14.796 10.425 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 7.915 -14.818 9.732 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 4.724 -14.250 10.354 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 4.885 -13.450 9.853 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 4.527 -13.943 11.239 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 13.657 -26.803 22.364 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 12.741 -26.540 22.276 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 13.993 -26.806 21.467 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 1.717 -17.124 9.030 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 2.309 -16.425 9.306 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 2.176 -17.557 8.311 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 3.657 -14.206 25.930 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 4.425 -14.665 26.271 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 3.636 -14.432 25.000 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 7.749 -14.698 7.305 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 7.105 -15.329 7.627 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 8.511 -15.229 7.073 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 10.234 -15.826 24.659 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 9.883 -16.682 24.902 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 10.960 -15.683 25.266 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 12.353 -14.881 7.539 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 12.636 -15.675 7.992 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 13.093 -14.648 6.978 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 5.622 -19.345 24.697 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 5.294 -19.074 23.839 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 5.774 -20.286 24.609 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 11.357 -19.429 22.080 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 12.102 -18.841 21.960 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 10.600 -18.847 22.143 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 8.766 -20.635 25.336 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 9.719 -20.551 25.308 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 8.606 -21.346 25.955 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 10.496 -24.127 25.901 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 10.688 -25.058 25.790 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 11.353 -23.702 25.891 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 11.812 -21.338 23.979 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 11.531 -20.629 23.401 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 12.755 -21.411 23.828 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 9.284 -26.476 23.704 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 8.336 -26.444 23.836 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 9.596 -27.101 24.358 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 10.918 -27.842 25.709 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 10.821 -28.794 25.703 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 10.596 -27.573 26.570 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 5.879 -28.948 25.790 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 5.748 -29.424 24.969 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 5.280 -28.204 25.734 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 -1.006 -17.429 8.449 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 -0.092 -17.350 8.722 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 -0.999 -18.116 7.782 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 15.377 -19.532 11.385 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 16.227 -19.111 11.513 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 15.382 -20.272 11.993 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 15.771 -21.479 13.209 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 15.045 -21.958 13.607 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 16.352 -21.273 13.941 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 13.558 -22.958 13.772 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 13.408 -23.903 13.752 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 13.204 -22.677 14.616 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 14.414 -20.988 23.411 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 14.997 -21.722 23.602 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 14.978 -20.216 23.457 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 13.268 -25.375 12.234 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 13.548 -26.282 12.359 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 14.027 -24.941 11.845 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 13.880 -24.794 17.670 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 14.813 -24.582 17.636 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 13.645 -24.692 18.593 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 13.909 -24.057 20.446 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 13.066 -23.789 20.812 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 14.352 -23.235 20.235 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 16.192 -30.077 25.800 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 16.542 -30.731 25.194 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 16.339 -29.240 25.360 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 15.712 -27.968 24.149 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 14.795 -27.697 24.113 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 15.835 -28.503 23.365 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 7.450 -13.753 23.644 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 7.635 -14.087 24.522 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 8.297 -13.444 23.322 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 0.541 -11.896 20.732 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 -0.179 -11.456 20.281 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 0.175 -12.147 21.581 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 3.008 -12.296 19.762 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 2.143 -12.224 20.166 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 2.953 -11.749 18.978 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 7.719 -12.408 18.938 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 7.262 -11.879 18.284 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 7.882 -11.805 19.663 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 -0.793 -14.049 10.814 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 -1.478 -14.087 10.146 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 -0.790 -13.136 11.102 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 8.071 -12.839 9.211 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 8.937 -12.473 9.033 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 7.824 -13.279 8.398 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 1.025 -13.129 7.839 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 0.757 -12.842 8.712 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 1.796 -13.675 7.991 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 10.822 -30.598 25.348 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 10.898 -31.024 26.202 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 11.715 -30.584 25.006 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 -1.617 -23.659 31.867 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 -2.065 -22.813 31.849 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 -2.178 -24.239 31.352 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 -0.907 -21.497 33.993 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 -0.693 -22.267 34.520 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 -0.169 -21.408 33.390 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 -0.926 -18.227 30.283 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 -1.198 -17.998 29.394 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 -0.881 -17.389 30.743 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 8.323 -22.937 27.418 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 9.024 -22.915 28.069 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 8.625 -23.565 26.762 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 10.546 -22.023 29.016 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 11.125 -21.873 29.763 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 10.960 -21.552 28.293 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 14.244 -30.273 28.829 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 13.345 -30.134 29.124 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 14.496 -29.442 28.427 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 2.310 -21.485 30.803 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 2.018 -20.717 30.312 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 1.636 -22.145 30.640 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 12.023 -20.990 26.646 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 12.065 -21.213 25.716 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 12.872 -20.592 26.836 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 7.596 -27.114 27.316 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 7.342 -27.095 28.239 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 7.339 -27.986 27.015 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 4.478 -26.669 26.417 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 4.047 -27.114 27.147 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 3.760 -26.297 25.905 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 -2.280 -26.927 33.469 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 -1.649 -26.956 34.189 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 -1.830 -27.352 32.739 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 -1.005 -26.181 28.893 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 -0.531 -25.590 28.308 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 -1.723 -25.650 29.240 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 0.769 -25.086 32.577 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 -0.120 -24.986 32.237 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 1.065 -25.928 32.231 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 4.422 -25.086 30.233 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 5.354 -24.957 30.411 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 4.207 -24.416 29.584 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 3.096 -23.891 27.800 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 2.554 -24.271 27.109 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 3.930 -23.697 27.371 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 2.263 -27.791 32.055 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 1.946 -28.693 32.020 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 3.044 -27.789 31.503 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 10.329 -26.512 27.935 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 9.391 -26.400 27.784 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 10.626 -25.655 28.241 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 5.711 -16.561 26.023 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 5.950 -17.309 25.475 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 5.442 -16.949 26.855 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 4.648 -16.991 28.479 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 4.795 -17.511 29.269 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 4.645 -16.084 28.785 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 1.101 -19.738 28.989 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 0.415 -19.386 29.556 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 1.624 -18.975 28.743 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 4.724 -14.250 29.210 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 4.885 -13.450 28.709 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 4.527 -13.943 30.095 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 3.458 -27.552 28.826 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 3.375 -26.663 29.172 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 4.348 -27.817 29.057 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 1.717 -17.124 27.886 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 2.309 -16.425 28.162 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 2.176 -17.557 27.167 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 -0.229 -15.738 31.836 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 -1.061 -15.265 31.863 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 0.317 -15.228 31.237 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 3.308 -18.971 26.252 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 3.372 -19.765 26.783 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 3.961 -19.090 25.563 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 8.660 -17.924 25.988 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 8.392 -17.744 26.889 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 8.454 -18.850 25.857 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 4.457 -20.999 28.558 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 3.998 -21.483 29.244 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 4.712 -21.667 27.922 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 5.528 -22.756 26.821 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 5.348 -22.910 25.893 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 6.479 -22.648 26.865 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 5.426 -12.065 27.822 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 6.359 -11.907 27.966 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 5.162 -11.390 27.197 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 13.636 -26.930 26.124 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 14.246 -27.302 26.761 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 12.799 -27.352 26.320 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 15.748 -28.045 27.667 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 16.161 -28.766 27.191 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 16.430 -27.375 27.725 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 -1.971 -28.040 30.794 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 -2.896 -27.831 30.664 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 -1.517 -27.556 30.104 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 -0.694 -29.997 28.772 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 -0.255 -29.386 28.181 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 -1.328 -29.459 29.246 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 11.959 -29.812 30.124 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 11.256 -29.198 29.914 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 11.514 -30.650 30.255 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 -0.793 -14.049 29.670 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 -1.478 -14.087 29.002 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 -0.790 -13.136 29.958 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 6.193 -27.788 29.672 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 6.371 -28.434 30.355 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 6.139 -26.954 30.139 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 -0.201 -3.259 -13.028 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 0.207 -4.116 -13.149 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 -0.461 -3.244 -12.107 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 2.564 -5.697 -12.660 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 1.797 -6.229 -12.870 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 3.243 -6.007 -13.259 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 0.745 -7.776 -12.955 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 0.956 -8.483 -13.566 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 0.633 -8.214 -12.111 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 -1.809 -6.753 -13.789 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 -0.890 -6.875 -13.553 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 -2.259 -7.503 -13.400 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 -2.007 -10.446 -17.430 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 -2.672 -10.692 -16.787 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 -2.450 -9.824 -18.007 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 0.427 -10.425 -14.082 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 0.061 -11.190 -13.639 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 1.340 -10.396 -13.795 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 -0.907 -2.641 -3.719 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 -0.693 -3.411 -3.192 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 -0.169 -2.552 -4.322 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 3.166 -7.600 -3.360 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 3.209 -6.740 -3.778 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 2.708 -8.152 -3.993 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 -0.214 -5.203 -2.598 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 0.440 -5.753 -2.166 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 -0.190 -5.477 -3.514 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 1.976 -8.682 0.714 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 1.757 -8.152 -0.052 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 1.308 -8.455 1.362 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 1.570 -6.790 -1.333 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 2.183 -6.157 -0.960 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 2.082 -7.262 -1.990 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 -0.926 0.629 -7.429 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 -1.198 0.858 -8.318 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 -0.881 1.467 -6.969 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 6.002 -11.376 -1.833 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 5.885 -12.325 -1.887 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 5.147 -11.044 -1.560 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 3.320 -1.699 -4.498 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 2.990 -2.069 -5.317 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 3.908 -2.369 -4.152 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 2.310 -2.629 -6.909 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 2.018 -1.861 -7.400 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 1.636 -3.289 -7.072 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 3.271 -10.473 -1.055 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 2.410 -10.560 -1.463 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 3.249 -9.617 -0.628 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 3.359 -5.286 -5.048 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 2.466 -5.627 -5.107 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 3.810 -5.663 -5.804 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 4.422 -6.230 -7.479 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 5.354 -6.101 -7.301 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 4.207 -5.560 -8.128 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 3.096 -5.035 -9.912 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 2.554 -5.415 -10.603 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 3.930 -4.841 -10.341 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 2.263 -8.935 -5.657 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 1.946 -9.837 -5.692 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 3.044 -8.933 -6.209 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 1.556 -1.175 -2.207 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 2.301 -1.177 -2.808 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 1.634 -1.999 -1.725 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 -0.314 -2.795 -10.215 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 0.302 -2.168 -9.836 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 -1.176 -2.479 -9.944 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 0.198 -7.961 2.666 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 -0.695 -7.622 2.599 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 0.099 -8.816 3.084 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 1.101 -0.882 -8.723 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 0.415 -0.530 -8.156 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 1.624 -0.119 -8.969 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 3.458 -8.696 -8.886 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 3.375 -7.807 -8.540 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 4.348 -8.961 -8.655 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 0.033 -5.604 -10.710 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 -0.012 -4.665 -10.531 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 -0.855 -5.840 -10.980 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 5.304 -11.069 2.209 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 5.206 -10.122 2.103 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 4.561 -11.441 1.733 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 -1.407 -2.024 -1.074 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 -1.223 -2.106 -2.009 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 -0.558 -2.148 -0.650 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 -2.284 -5.442 -0.973 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 -1.792 -5.663 -1.763 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 -1.922 -4.601 -0.692 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 -2.007 -10.446 1.426 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 -2.672 -10.692 2.069 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 -2.450 -9.824 0.849 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 8.143 -9.573 -2.565 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 7.468 -10.202 -2.310 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 8.707 -10.057 -3.168 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 5.049 -11.012 -4.930 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 5.923 -10.624 -4.960 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 4.913 -11.227 -4.007 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 1.167 -9.225 -10.497 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 1.658 -9.855 -11.025 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 1.790 -8.929 -9.834 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 10.822 -11.742 6.492 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 10.898 -12.168 7.346 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 11.715 -11.728 6.150 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 -1.617 -4.803 13.011 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 -2.065 -3.957 12.993 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 -2.178 -5.383 12.496 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 3.166 -7.600 15.496 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 3.209 -6.740 15.078 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 2.708 -8.152 14.863 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 -0.214 -5.203 16.258 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 0.440 -5.753 16.690 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 -0.190 -5.477 15.342 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 1.976 -8.682 19.570 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 1.757 -8.152 18.804 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 1.308 -8.455 20.218 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 1.570 -6.790 17.523 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 2.183 -6.157 17.896 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 2.082 -7.262 16.866 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 6.002 -11.376 17.023 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 5.885 -12.325 16.969 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 5.147 -11.044 17.296 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 3.271 -10.473 17.801 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 2.410 -10.560 17.393 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 3.249 -9.617 18.228 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 3.362 -5.507 18.896 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 2.720 -5.548 19.605 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 3.399 -4.581 18.658 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 3.359 -5.286 13.808 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 2.466 -5.627 13.749 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 3.810 -5.663 13.052 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 -1.005 -7.325 10.037 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 -0.531 -6.734 9.452 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 -1.723 -6.794 10.384 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 5.941 -7.859 14.894 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 5.030 -7.802 15.183 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 6.446 -7.919 15.705 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 0.769 -6.230 13.721 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 -0.120 -6.130 13.381 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 1.065 -7.072 13.375 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 2.263 -8.935 13.199 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 1.946 -9.837 13.164 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 3.044 -8.933 12.647 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 0.198 -7.961 21.522 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 -0.695 -7.622 21.455 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 0.099 -8.816 21.940 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 3.458 -8.696 9.970 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 3.375 -7.807 10.316 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 4.348 -8.961 10.201 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 4.498 -8.525 20.633 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 5.034 -8.074 19.981 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 3.646 -8.633 20.211 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 5.304 -11.069 21.065 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 5.206 -10.122 20.959 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 4.561 -11.441 20.589 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 0.745 -7.776 24.757 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 0.956 -8.483 24.146 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 0.633 -8.214 25.601 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 5.526 -11.775 23.736 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 6.238 -12.415 23.722 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 5.425 -11.508 22.822 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 -2.284 -5.442 17.883 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 -1.792 -5.663 17.093 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 -1.922 -4.601 18.164 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 -1.971 -9.184 11.938 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 -2.896 -8.975 11.808 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 -1.517 -8.700 11.248 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 -0.694 -11.141 9.916 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 -0.255 -10.530 9.325 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 -1.328 -10.603 10.390 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 5.049 -11.012 13.926 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 5.923 -10.624 13.896 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 4.913 -11.227 14.849 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 1.167 -9.225 8.359 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 1.658 -9.855 7.831 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 1.790 -8.929 9.022 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 0.427 -10.425 23.630 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 0.061 -11.190 24.073 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 1.340 -10.396 23.917 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 2.400 -11.074 25.166 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 3.299 -11.348 24.981 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 2.014 -11.817 25.630 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 -0.694 -11.141 28.772 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 -0.255 -10.530 28.181 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 -1.328 -10.603 29.246 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 1.167 -9.225 27.215 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 1.658 -9.855 26.687 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 1.790 -8.929 27.878 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 17.916 -50.837 -13.402 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 18.456 -51.054 -12.643 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 17.435 -51.643 -13.592 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 19.705 -59.481 0.227 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 19.747 -60.107 0.951 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 20.408 -58.858 0.409 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 20.629 -55.031 -1.238 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 20.259 -55.833 -1.607 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 21.570 -55.200 -1.191 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 17.239 -61.371 -5.845 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 16.791 -60.525 -5.863 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 16.678 -61.951 -6.360 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 17.949 -59.209 -3.719 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 18.163 -59.979 -3.192 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 18.687 -59.120 -4.322 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 18.642 -61.771 -2.598 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 19.296 -62.321 -2.166 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 18.666 -62.045 -3.514 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 23.401 -57.574 1.002 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 22.661 -56.976 1.105 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 24.115 -57.020 0.686 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 21.809 -55.610 1.789 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 21.803 -54.731 1.411 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 20.955 -55.693 2.214 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 17.930 -55.939 -7.429 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 17.658 -55.710 -8.318 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 17.975 -55.101 -6.969 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 22.176 -58.267 -4.498 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 21.846 -58.637 -5.317 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 22.764 -58.937 -4.152 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 23.543 -54.839 -1.817 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 23.448 -55.417 -2.574 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 24.272 -55.210 -1.321 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 22.543 -59.498 -0.865 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 23.108 -59.377 -1.628 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 22.862 -58.861 -0.226 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 23.423 -55.099 3.852 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 23.111 -54.317 4.308 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 22.773 -55.252 3.166 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 20.343 -58.901 3.081 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 20.413 -58.250 3.779 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 19.452 -58.798 2.746 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 21.662 -53.027 4.616 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 21.670 -53.163 3.668 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 20.746 -53.145 4.868 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 19.508 -55.511 2.949 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 19.725 -55.872 3.809 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 18.653 -55.885 2.739 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 19.968 -61.755 1.907 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 19.930 -61.355 2.775 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 19.477 -62.572 1.997 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 20.087 -57.046 5.187 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 20.820 -56.792 5.748 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 19.307 -56.842 5.702 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 20.412 -57.743 -2.207 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 21.157 -57.745 -2.808 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 20.490 -58.567 -1.725 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 17.420 -59.282 3.108 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 17.643 -59.700 3.940 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 16.818 -59.895 2.686 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 22.787 -54.225 -4.802 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 23.314 -53.452 -5.003 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 21.907 -54.000 -5.104 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 24.729 -52.413 1.089 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 25.092 -51.558 0.856 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 25.261 -52.705 1.830 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 22.898 -51.540 -5.681 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 21.948 -51.435 -5.629 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 23.249 -50.720 -5.336 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 23.580 -51.962 -8.502 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 23.741 -51.162 -9.003 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 23.383 -51.655 -7.617 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 20.573 -54.836 -9.826 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 21.165 -54.137 -9.550 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 21.032 -55.269 -10.545 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 17.916 -50.837 5.454 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 18.456 -51.054 6.213 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 17.435 -51.643 5.264 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 22.513 -51.918 7.074 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 23.281 -52.377 7.415 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 22.492 -52.144 6.144 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 17.823 -57.027 6.408 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 17.967 -57.929 6.122 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 17.050 -56.741 5.920 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 18.655 -59.827 5.828 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 19.063 -60.684 5.707 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 18.395 -59.812 6.749 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 17.850 -55.141 -10.407 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 18.764 -55.062 -10.134 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 17.857 -55.828 -11.074 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 16.572 -62.010 -0.973 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 17.064 -62.231 -1.763 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 16.934 -61.169 -0.692 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 19.041 -53.839 5.570 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 18.220 -53.664 5.110 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 18.789 -53.912 6.491 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 21.995 -52.864 1.829 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 21.570 -52.055 1.546 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 22.900 -52.779 1.527 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 23.490 -51.805 -1.710 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 23.703 -52.693 -1.997 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 23.555 -51.839 -0.755 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 18.063 -51.761 -8.042 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 17.378 -51.799 -8.710 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 18.066 -50.848 -7.754 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 19.881 -50.841 -11.017 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 19.613 -50.554 -10.144 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 20.652 -51.387 -10.865 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 17.930 -55.939 11.427 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 17.658 -55.710 10.538 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 17.975 -55.101 11.887 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 17.010 -54.054 17.646 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 17.956 -54.198 17.627 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 16.897 -53.270 18.183 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 18.542 -59.363 8.641 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 19.158 -58.736 9.020 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 17.680 -59.047 8.912 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 19.957 -57.450 10.133 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 19.271 -57.098 10.700 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 20.480 -56.687 9.887 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 20.573 -54.836 9.030 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 21.165 -54.137 9.306 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 21.032 -55.269 8.311 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 17.850 -55.141 8.449 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 18.764 -55.062 8.722 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 17.857 -55.828 7.782 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 16.499 -49.748 13.526 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 15.852 -50.210 12.993 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 16.854 -50.420 14.109 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 18.063 -51.761 10.814 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 17.378 -51.799 10.146 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 18.066 -50.848 11.102 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 19.881 -50.841 7.839 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 19.613 -50.554 8.712 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 20.652 -51.387 7.991 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 20.629 -36.175 -20.094 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 20.259 -36.977 -20.463 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 21.570 -36.344 -20.047 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 21.662 -34.171 -14.240 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 21.670 -34.307 -15.188 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 20.746 -34.289 -13.988 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 17.259 -37.978 -16.950 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 16.758 -38.006 -17.765 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 17.265 -38.884 -16.640 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 17.010 -35.198 -20.066 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 17.956 -35.342 -20.085 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 16.897 -34.414 -19.529 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 19.508 -36.655 -15.907 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 19.725 -37.016 -15.047 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 18.653 -37.029 -16.117 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 20.087 -38.190 -13.669 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 20.820 -37.936 -13.108 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 19.307 -37.986 -13.154 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 17.420 -40.426 -15.748 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 17.643 -40.844 -14.916 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 16.818 -41.039 -16.170 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 19.054 -45.673 -16.190 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 18.161 -45.334 -16.257 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 18.955 -46.528 -15.772 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 18.705 -33.868 -17.755 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 18.922 -34.800 -17.786 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 18.952 -33.594 -16.871 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 17.916 -31.981 -13.402 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 18.456 -32.198 -12.643 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 17.435 -32.787 -13.592 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 22.513 -33.062 -11.782 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 23.281 -33.521 -11.441 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 22.492 -33.288 -12.712 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 17.823 -38.171 -12.448 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 17.967 -39.073 -12.734 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 17.050 -37.885 -12.936 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 18.655 -40.971 -13.028 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 19.063 -41.828 -13.149 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 18.395 -40.956 -12.107 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 19.601 -45.488 -12.955 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 19.812 -46.195 -13.566 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 19.489 -45.926 -12.111 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 17.369 -32.811 -22.381 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 17.035 -33.692 -22.209 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 17.591 -32.466 -21.517 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 17.449 -39.736 -19.930 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 17.633 -39.818 -20.865 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 18.298 -39.860 -19.506 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 17.047 -44.465 -13.789 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 17.966 -44.587 -13.553 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 16.597 -45.215 -13.400 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 16.849 -48.158 -17.430 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 16.184 -48.404 -16.787 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 16.406 -47.536 -18.007 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 19.041 -34.983 -13.286 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 18.220 -34.808 -13.746 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 18.789 -35.056 -12.365 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 21.995 -34.008 -17.027 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 21.570 -33.199 -17.310 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 22.900 -33.923 -17.329 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 19.397 -30.752 -16.980 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 18.677 -30.312 -17.431 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 19.031 -31.003 -16.131 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 18.812 -32.129 -20.069 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 18.793 -32.554 -19.212 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 19.617 -32.447 -20.478 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 19.283 -48.137 -14.082 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 18.917 -48.902 -13.639 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 20.196 -48.108 -13.795 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 19.705 -40.625 0.227 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 19.747 -41.251 0.951 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 20.408 -40.002 0.409 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 28.154 -32.196 -2.852 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 28.774 -32.873 -3.125 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 27.946 -32.414 -1.944 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 25.726 -37.807 -0.960 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 26.030 -38.493 -1.554 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 26.448 -37.689 -0.342 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 22.022 -45.312 -3.360 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 22.065 -44.452 -3.778 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 21.564 -45.864 -3.993 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 23.798 -41.365 -3.382 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 24.414 -41.891 -2.873 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 23.212 -42.005 -3.786 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 23.401 -38.718 1.002 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 22.661 -38.120 1.105 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 24.115 -38.164 0.686 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 24.858 -49.088 -1.833 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 24.741 -50.037 -1.887 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 24.003 -48.756 -1.560 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 22.176 -39.411 -4.498 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 21.846 -39.781 -5.317 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 22.764 -40.081 -4.152 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 23.543 -35.983 -1.817 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 23.448 -36.561 -2.574 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 24.272 -36.354 -1.321 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 22.543 -40.642 -0.865 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 23.108 -40.521 -1.628 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 22.862 -40.005 -0.226 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 28.852 -35.139 -0.131 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 28.611 -34.477 0.517 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 28.654 -35.973 0.294 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 23.423 -36.243 3.852 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 23.111 -35.461 4.308 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 22.773 -36.396 3.166 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 27.128 -34.142 -5.261 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 27.602 -33.847 -4.483 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 26.565 -33.404 -5.494 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 21.166 -40.341 -6.909 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 20.874 -39.573 -7.400 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 20.492 -41.001 -7.072 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 26.186 -34.958 3.348 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 26.273 -34.132 3.823 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 25.322 -35.288 3.597 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 22.127 -48.185 -1.055 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 21.266 -48.272 -1.463 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 22.105 -47.329 -0.628 0.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 22.218 -43.219 0.040 0.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 21.576 -43.260 0.749 0.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 22.255 -42.293 -0.198 0.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 22.215 -42.998 -5.048 0.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 21.322 -43.339 -5.107 0.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 22.666 -43.375 -5.804 0.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 24.797 -45.571 -3.962 0.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 23.886 -45.514 -3.673 0.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 25.302 -45.631 -3.151 0.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 23.278 -43.942 -7.479 0.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 24.210 -43.813 -7.301 0.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 23.063 -43.272 -8.128 0.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 21.952 -42.747 -9.912 0.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 21.410 -43.127 -10.603 0.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 22.786 -42.553 -10.341 0.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 24.743 -44.395 0.339 0.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 23.908 -43.941 0.449 0.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 25.267 -44.119 1.091 0.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 26.807 -37.998 3.261 0.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 26.461 -38.379 4.067 0.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 26.607 -37.064 3.332 0.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 20.412 -38.887 -2.207 0.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 21.157 -38.889 -2.808 0.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 20.490 -39.711 -1.725 0.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 24.437 -40.909 5.321 0.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 24.141 -41.075 4.426 0.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 25.368 -41.129 5.311 0.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 22.787 -35.369 -4.802 0.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 23.314 -34.596 -5.003 0.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 21.907 -35.144 -5.104 0.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 18.542 -40.507 -10.215 0.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 19.158 -39.880 -9.836 0.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 17.680 -40.191 -9.944 0.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 24.214 -37.706 -5.226 0.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 23.973 -36.781 -5.184 0.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 23.474 -38.165 -4.830 0.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 22.898 -32.684 -5.681 0.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 21.948 -32.579 -5.629 0.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 23.249 -31.864 -5.336 0.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 23.504 -35.847 -9.233 0.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 23.651 -36.367 -8.443 0.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 23.501 -34.940 -8.927 0.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 19.957 -38.594 -8.723 0.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 19.271 -38.242 -8.156 0.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 20.480 -37.831 -8.969 0.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 23.580 -33.106 -8.502 0.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 23.741 -32.306 -9.003 0.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 23.383 -32.799 -7.617 0.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 22.314 -46.408 -8.886 0.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 22.231 -45.519 -8.540 0.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 23.204 -46.673 -8.655 0.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 20.573 -35.980 -9.826 0.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 21.165 -35.281 -9.550 0.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 21.032 -36.413 -10.545 0.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 18.889 -43.316 -10.710 0.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 18.844 -42.377 -10.531 0.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 18.001 -43.552 -10.980 0.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 29.090 -34.682 5.803 0.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 28.739 -35.538 6.046 0.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 29.816 -34.539 6.410 0.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 22.164 -37.827 -11.460 0.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 22.228 -38.621 -10.929 0.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 22.817 -37.946 -12.149 0.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 24.478 -38.201 5.841 0.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 24.150 -37.930 4.983 0.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 24.630 -39.142 5.753 0.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 22.602 -41.962 3.202 0.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 21.984 -41.287 3.483 0.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 22.946 -41.641 2.369 0.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 22.942 -44.607 4.285 0.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 23.092 -45.336 3.682 0.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 22.944 -43.830 3.726 0.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 23.354 -46.237 1.777 0.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 23.890 -45.786 1.125 0.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 22.502 -46.345 1.355 0.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 24.936 -40.798 2.017 0.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 25.687 -40.954 1.444 0.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 24.597 -39.946 1.741 0.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 21.420 -43.409 6.196 0.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 20.653 -43.941 5.986 0.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 22.099 -43.719 5.597 0.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 24.160 -48.781 2.209 0.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 24.062 -47.834 2.103 0.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 23.417 -49.153 1.733 0.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 19.601 -45.488 5.901 0.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 19.812 -46.195 5.290 0.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 19.489 -45.926 6.745 0.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 24.382 -49.487 4.880 0.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 25.094 -50.127 4.866 0.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 24.281 -49.220 3.966 0.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 16.499 -30.892 -5.330 0.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 15.852 -31.354 -5.863 0.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 16.854 -31.564 -4.747 0.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 26.306 -32.609 4.788 0.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 26.491 -32.943 5.666 0.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 27.153 -32.300 4.466 0.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 28.651 -31.324 4.032 0.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 29.328 -31.956 3.792 0.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 28.973 -30.922 4.840 0.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 26.575 -31.264 0.082 0.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 26.118 -30.735 -0.572 0.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 26.738 -30.661 0.807 0.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 28.902 -32.386 1.027 0.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 27.998 -32.221 0.761 0.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 29.331 -31.533 0.961 0.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 18.162 -48.853 -8.940 0.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 18.601 -48.242 -9.531 0.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 17.528 -48.315 -8.466 0.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 23.905 -48.724 -4.930 0.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 24.779 -48.336 -4.960 0.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 23.769 -48.939 -4.007 0.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 20.023 -46.937 -10.497 0.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 20.514 -47.567 -11.025 0.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 20.646 -46.641 -9.834 0.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 25.049 -46.644 -8.040 0.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 25.227 -47.290 -7.357 0.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 24.995 -45.810 -7.573 0.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 19.283 -48.137 4.774 0.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 18.917 -48.902 5.217 0.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 20.196 -48.108 5.061 0.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 21.256 -48.786 6.310 0.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 22.155 -49.060 6.125 0.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 20.870 -49.529 6.774 0.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 19.705 -40.625 19.083 0.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 19.747 -41.251 19.807 0.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 20.408 -40.002 19.265 0.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 20.629 -36.175 17.618 0.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 20.259 -36.977 17.249 0.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 21.570 -36.344 17.665 0.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 22.022 -45.312 15.496 0.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 22.065 -44.452 15.078 0.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 21.564 -45.864 14.863 0.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 23.798 -41.365 15.474 0.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 24.414 -41.891 15.983 0.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 23.212 -42.005 15.070 0.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 20.832 -46.394 19.570 0.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 20.613 -45.864 18.804 0.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 20.164 -46.167 20.218 0.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 23.401 -38.718 19.858 0.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 22.661 -38.120 19.961 0.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 24.115 -38.164 19.542 0.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 21.809 -36.754 20.645 0.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 21.803 -35.875 20.267 0.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 20.955 -36.837 21.070 0.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 22.176 -39.411 14.358 0.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 21.846 -39.781 13.539 0.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 22.764 -40.081 14.704 0.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 23.543 -35.983 17.039 0.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 23.448 -36.561 16.282 0.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 24.272 -36.354 17.535 0.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 22.543 -40.642 17.991 0.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 23.108 -40.521 17.228 0.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 22.862 -40.005 18.630 0.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 20.343 -40.045 21.937 0.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 20.413 -39.394 22.635 0.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 19.452 -39.942 21.602 0.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 27.128 -34.142 13.595 0.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 27.602 -33.847 14.373 0.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 26.565 -33.404 13.362 0.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 21.662 -34.171 23.472 0.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 21.670 -34.307 22.524 0.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 20.746 -34.289 23.724 0.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 21.166 -40.341 11.947 0.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 20.874 -39.573 11.456 0.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 20.492 -41.001 11.784 0.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 17.259 -37.978 20.762 0.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 16.758 -38.006 19.947 0.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 17.265 -38.884 21.072 0.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 26.600 -31.186 12.010 0.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 26.525 -31.307 11.064 0.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 26.633 -30.236 12.129 0.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 19.508 -36.655 21.805 0.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 19.725 -37.016 22.665 0.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 18.653 -37.029 21.595 0.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 22.127 -48.185 17.801 0.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 21.266 -48.272 17.393 0.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 22.105 -47.329 18.228 0.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 22.218 -43.219 18.896 0.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 21.576 -43.260 19.605 0.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 22.255 -42.293 18.658 0.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 22.215 -42.998 13.808 0.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 21.322 -43.339 13.749 0.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 22.666 -43.375 13.052 0.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 19.968 -42.899 20.763 0.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 19.930 -42.499 21.631 0.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 19.477 -43.716 20.853 0.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 24.797 -45.571 14.894 0.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 23.886 -45.514 15.183 0.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 25.302 -45.631 15.705 0.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 23.278 -43.942 11.377 0.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 24.210 -43.813 11.555 0.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 23.063 -43.272 10.728 0.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 21.952 -42.747 8.944 0.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 21.410 -43.127 8.253 0.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 22.786 -42.553 8.515 0.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 20.087 -38.190 24.043 0.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 20.820 -37.936 24.604 0.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 19.307 -37.986 24.558 0.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 21.119 -46.647 13.199 0.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 20.802 -47.549 13.164 0.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 21.900 -46.645 12.647 0.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 25.287 -38.182 10.880 0.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 24.543 -38.689 10.557 0.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 25.153 -38.133 11.826 0.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 17.420 -40.426 21.964 0.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 17.643 -40.844 22.796 0.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 16.818 -41.039 21.542 0.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 24.214 -37.706 13.630 0.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 23.973 -36.781 13.672 0.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 23.474 -38.165 14.026 0.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 24.729 -33.557 19.945 0.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 25.092 -32.702 19.712 0.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 25.261 -33.849 20.686 0.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 19.054 -45.673 21.522 0.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 18.161 -45.334 21.455 0.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 18.955 -46.528 21.940 0.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 18.705 -33.868 19.957 0.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 18.922 -34.800 19.926 0.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 18.952 -33.594 20.841 0.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 24.567 -35.417 7.167 0.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 24.806 -36.165 6.619 0.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 24.298 -35.805 7.999 0.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 23.504 -35.847 9.623 0.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 23.651 -36.367 10.413 0.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 23.501 -34.940 9.929 0.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 26.242 -34.149 10.372 0.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 25.425 -33.652 10.425 0.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 26.771 -33.674 9.732 0.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 23.580 -33.106 10.354 0.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 23.741 -32.306 9.853 0.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 23.383 -32.799 11.239 0.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 22.314 -46.408 9.970 0.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 22.231 -45.519 10.316 0.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 23.204 -46.673 10.201 0.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 18.889 -43.316 8.146 0.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 18.844 -42.377 8.325 0.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 18.001 -43.552 7.876 0.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 19.697 -48.534 16.819 0.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 19.468 -48.475 15.892 0.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 19.254 -49.326 17.126 0.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 17.916 -31.981 24.310 0.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 18.456 -32.198 25.069 0.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 17.435 -32.787 24.120 0.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 26.605 -33.554 7.305 0.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 25.961 -34.185 7.627 0.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 27.367 -34.085 7.073 0.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 17.823 -38.171 25.264 0.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 17.967 -39.073 24.978 0.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 17.050 -37.885 24.776 0.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 22.164 -37.827 7.396 0.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 22.228 -38.621 7.927 0.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 22.817 -37.946 6.707 0.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 18.655 -40.971 24.684 0.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 19.063 -41.828 24.563 0.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 18.395 -40.956 25.605 0.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 23.313 -39.855 9.702 0.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 22.854 -40.339 10.388 0.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 23.568 -40.523 9.066 0.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 17.047 -44.465 23.923 0.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 17.966 -44.587 24.159 0.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 16.597 -45.215 24.312 0.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 16.849 -48.158 20.282 0.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 16.184 -48.404 20.925 0.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 16.406 -47.536 19.705 0.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 19.041 -34.983 24.426 0.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 18.220 -34.808 23.966 0.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 18.789 -35.056 25.347 0.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 21.995 -34.008 20.685 0.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 21.570 -33.199 20.402 0.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 22.900 -33.923 20.383 0.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 19.397 -30.752 20.732 0.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 18.677 -30.312 20.281 0.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 19.031 -31.003 21.581 0.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 21.864 -31.152 19.762 0.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 20.999 -31.080 20.166 0.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 21.809 -30.605 18.978 0.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 26.575 -31.264 18.938 0.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 26.118 -30.735 18.284 0.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 26.738 -30.661 19.663 0.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 23.490 -32.949 17.146 0.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 23.703 -33.837 16.859 0.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 23.555 -32.983 18.101 0.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 19.325 -48.651 14.113 0.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 18.548 -48.885 13.605 0.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 19.856 -49.448 14.121 0.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 18.162 -48.853 9.916 0.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 18.601 -48.242 9.325 0.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 17.528 -48.315 10.390 0.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 20.023 -46.937 8.359 0.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 20.514 -47.567 7.831 0.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 20.646 -46.641 9.022 0.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 26.927 -31.695 9.211 0.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 27.793 -31.329 9.033 0.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 26.680 -32.135 8.398 0.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 17.850 -36.285 27.305 0.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 18.764 -36.206 27.578 0.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 17.857 -36.972 26.638 0.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 18.063 -32.905 29.670 0.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 17.378 -32.943 29.002 0.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 18.066 -31.992 29.958 0.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 19.881 -31.985 26.695 0.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 19.613 -31.698 27.568 0.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 20.652 -32.531 26.847 0.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 20.832 -27.538 -18.142 0.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 20.613 -27.008 -18.908 0.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 20.164 -27.311 -17.494 0.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 17.259 -19.122 -16.950 0.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 16.758 -19.150 -17.765 0.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 17.265 -20.028 -16.640 0.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 19.968 -24.043 -16.949 0.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 19.930 -23.643 -16.081 0.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 19.477 -24.860 -16.859 0.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 17.420 -21.570 -15.748 0.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 17.643 -21.988 -14.916 0.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 16.818 -22.183 -16.170 0.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 19.054 -26.817 -16.190 0.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 18.161 -26.478 -16.257 0.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 18.955 -27.672 -15.772 0.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 18.655 -22.115 -13.028 0.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 19.063 -22.972 -13.149 0.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 18.395 -22.100 -12.107 0.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 19.601 -26.632 -12.955 0.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 19.812 -27.339 -13.566 0.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 19.489 -27.070 -12.111 0.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 18.268 -27.297 -20.898 0.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 18.713 -28.089 -20.596 0.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 18.734 -26.581 -20.467 0.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 16.572 -24.298 -19.829 0.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 17.064 -24.519 -20.619 0.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 16.934 -23.457 -19.548 0.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 16.849 -29.302 -17.430 0.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 16.184 -29.548 -16.787 0.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 16.406 -28.680 -18.007 0.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 19.283 -29.281 -14.082 0.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 18.917 -30.046 -13.639 0.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 20.196 -29.252 -13.795 0.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 21.256 -29.930 -12.546 0.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 22.155 -30.204 -12.731 0.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 20.870 -30.673 -12.082 0.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 19.705 -21.769 0.227 0.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 19.747 -22.395 0.951 0.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 20.408 -21.146 0.409 0.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 20.629 -17.319 -1.238 0.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 20.259 -18.121 -1.607 0.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 21.570 -17.488 -1.191 0.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 17.239 -23.659 -5.845 0.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 16.791 -22.813 -5.863 0.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 16.678 -24.239 -6.360 0.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 17.949 -21.497 -3.719 0.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 18.163 -22.267 -3.192 0.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 18.687 -21.408 -4.322 0.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 22.022 -26.456 -3.360 0.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 22.065 -25.596 -3.778 0.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 21.564 -27.008 -3.993 0.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 18.642 -24.059 -2.598 0.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 19.296 -24.609 -2.166 0.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 18.666 -24.333 -3.514 0.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 20.832 -27.538 0.714 0.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 20.613 -27.008 -0.052 0.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 20.164 -27.311 1.362 0.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 20.426 -25.646 -1.333 0.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 21.039 -25.013 -0.960 0.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 20.938 -26.118 -1.990 0.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 21.809 -17.898 1.789 0.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 21.803 -17.019 1.411 0.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 20.955 -17.981 2.214 0.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 24.858 -30.232 -1.833 0.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 24.741 -31.181 -1.887 0.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 24.003 -29.900 -1.560 0.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 22.543 -21.786 -0.865 0.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 23.108 -21.665 -1.628 0.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 22.862 -21.149 -0.226 0.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 20.343 -21.189 3.081 0.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 20.413 -20.538 3.779 0.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 19.452 -21.086 2.746 0.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 17.010 -16.342 -1.210 0.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 17.956 -16.486 -1.229 0.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 16.897 -15.558 -0.673 0.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 19.508 -17.799 2.949 0.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 19.725 -18.160 3.809 0.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 18.653 -18.173 2.739 0.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 22.127 -29.329 -1.055 0.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 21.266 -29.416 -1.463 0.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 22.105 -28.473 -0.628 0.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 26.790 -29.607 2.319 0.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 27.210 -30.022 3.072 0.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 25.857 -29.785 2.436 0.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 22.218 -24.363 0.040 0.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 21.576 -24.404 0.749 0.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 22.255 -23.437 -0.198 0.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 26.853 -23.551 5.257 0.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 26.290 -24.255 5.577 0.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 27.679 -23.671 5.724 0.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 19.968 -24.043 1.907 0.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 19.930 -23.643 2.775 0.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 19.477 -24.860 1.997 0.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 16.576 -26.927 -4.243 0.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 17.207 -26.956 -3.523 0.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 17.026 -27.352 -4.973 0.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 17.851 -26.181 -8.819 0.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 18.325 -25.590 -9.404 0.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 17.133 -25.650 -8.472 0.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 19.625 -25.086 -5.135 0.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 18.736 -24.986 -5.475 0.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 19.921 -25.928 -5.481 0.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 20.087 -19.334 5.187 0.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 20.820 -19.080 5.748 0.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 19.307 -19.130 5.702 0.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 21.119 -27.791 -5.657 0.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 20.802 -28.693 -5.692 0.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 21.900 -27.789 -6.209 0.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 24.743 -25.539 0.339 0.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 23.908 -25.085 0.449 0.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 25.267 -25.263 1.091 0.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 20.412 -20.031 -2.207 0.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 21.157 -20.033 -2.808 0.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 20.490 -20.855 -1.725 0.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 24.437 -22.053 5.321 0.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 24.141 -22.219 4.426 0.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 25.368 -22.273 5.311 0.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 18.542 -21.651 -10.215 0.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 19.158 -21.024 -9.836 0.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 17.680 -21.335 -9.944 0.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 18.705 -15.012 1.101 0.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 18.922 -15.944 1.070 0.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 18.952 -14.738 1.985 0.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 27.789 -27.076 1.556 0.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 28.487 -27.002 2.206 0.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 27.408 -27.940 1.711 0.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 26.309 -24.710 2.673 0.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 26.428 -24.136 3.430 0.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 26.964 -25.398 2.788 0.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 18.889 -24.460 -10.710 0.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 18.844 -23.521 -10.531 0.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 18.001 -24.696 -10.980 0.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 17.823 -19.315 6.408 0.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 17.967 -20.217 6.122 0.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 17.050 -19.029 5.920 0.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 24.478 -19.345 5.841 0.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 24.150 -19.074 4.983 0.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 24.630 -20.286 5.753 0.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 22.602 -23.106 3.202 0.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 21.984 -22.431 3.483 0.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 22.946 -22.785 2.369 0.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 22.942 -25.751 4.285 0.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 23.092 -26.480 3.682 0.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 22.944 -24.974 3.726 0.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 23.354 -27.381 1.777 0.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 23.890 -26.930 1.125 0.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 22.502 -27.489 1.355 0.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 24.936 -21.942 2.017 0.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 25.687 -22.098 1.444 0.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 24.597 -21.090 1.741 0.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 25.424 -25.603 5.772 0.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 25.188 -25.823 6.674 0.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 24.641 -25.810 5.263 0.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 28.140 -26.476 4.848 0.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 27.192 -26.444 4.980 0.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 28.452 -27.101 5.502 0.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 29.774 -27.842 6.853 0.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 29.677 -28.794 6.847 0.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 29.452 -27.573 7.714 0.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 17.449 -20.880 -1.074 0.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 17.633 -20.962 -2.009 0.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 18.298 -21.004 -0.650 0.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 16.885 -28.040 -6.918 0.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 15.960 -27.831 -7.048 0.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 17.339 -27.556 -7.608 0.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 19.041 -16.127 5.570 0.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 18.220 -15.952 5.110 0.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 18.789 -16.200 6.491 0.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 19.325 -29.795 -4.743 0.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 18.548 -30.029 -5.251 0.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 19.856 -30.592 -4.735 0.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 23.905 -29.868 -4.930 0.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 24.779 -29.480 -4.960 0.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 23.769 -30.083 -4.007 0.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 20.023 -28.081 -10.497 0.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 20.514 -28.711 -11.025 0.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 20.646 -27.785 -9.834 0.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 29.678 -30.598 6.492 0.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 29.754 -31.024 7.346 0.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 30.571 -30.584 6.150 0.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 19.705 -21.769 19.083 0.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 19.747 -22.395 19.807 0.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 20.408 -21.146 19.265 0.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 17.239 -23.659 13.011 0.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 16.791 -22.813 12.993 0.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 16.678 -24.239 12.496 0.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 17.949 -21.497 15.137 0.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 18.163 -22.267 15.664 0.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 18.687 -21.408 14.534 0.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 23.798 -22.509 15.474 0.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 24.414 -23.035 15.983 0.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 23.212 -23.149 15.070 0.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 17.930 -18.227 11.427 0.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 17.658 -17.998 10.538 0.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 17.975 -17.389 11.887 0.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 24.858 -30.232 17.023 0.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 24.741 -31.181 16.969 0.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 24.003 -29.900 17.296 0.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 22.176 -20.555 14.358 0.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 21.846 -20.925 13.539 0.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 22.764 -21.225 14.704 0.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 22.543 -21.786 17.991 0.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 23.108 -21.665 17.228 0.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 22.862 -21.149 18.630 0.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 21.166 -21.485 11.947 0.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 20.874 -20.717 11.456 0.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 20.492 -22.145 11.784 0.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 22.127 -29.329 17.801 0.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 21.266 -29.416 17.393 0.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 22.105 -28.473 18.228 0.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 26.452 -27.114 8.460 0.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 26.198 -27.095 9.383 0.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 26.195 -27.986 8.159 0.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 22.218 -24.363 18.896 0.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 21.576 -24.404 19.605 0.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 22.255 -23.437 18.658 0.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 22.215 -24.142 13.808 0.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 21.322 -24.483 13.749 0.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 22.666 -24.519 13.052 0.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 19.968 -24.043 20.763 0.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 19.930 -23.643 21.631 0.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 19.477 -24.860 20.853 0.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 24.797 -26.715 14.894 0.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 23.886 -26.658 15.183 0.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 25.302 -26.775 15.705 0.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 23.278 -25.086 11.377 0.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 24.210 -24.957 11.555 0.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 23.063 -24.416 10.728 0.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 21.952 -23.891 8.944 0.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 21.410 -24.271 8.253 0.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 22.786 -23.697 8.515 0.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 24.743 -25.539 19.195 0.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 23.908 -25.085 19.305 0.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 25.267 -25.263 19.947 0.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 20.412 -20.031 16.649 0.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 21.157 -20.033 16.048 0.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 20.490 -20.855 17.131 0.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 17.420 -21.570 21.964 0.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 17.643 -21.988 22.796 0.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 16.818 -22.183 21.542 0.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 19.054 -26.817 21.522 0.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 18.161 -26.478 21.455 0.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 18.955 -27.672 21.940 0.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 19.957 -19.738 10.133 0.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 19.271 -19.386 10.700 0.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 20.480 -18.975 9.887 0.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 25.773 -25.696 12.344 0.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 26.585 -25.192 12.390 0.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 25.528 -25.841 13.258 0.00 0.00 WAT1 ATOM 6668 OH2 TIP3 1421 26.657 -28.615 13.282 0.00 0.00 WAT1 ATOM 6669 H1 TIP3 1421 26.310 -27.997 13.927 0.00 0.00 WAT1 ATOM 6670 H2 TIP3 1421 27.315 -28.114 12.801 0.00 0.00 WAT1 ATOM 6671 OH2 TIP3 1422 22.314 -27.552 9.970 0.00 0.00 WAT1 ATOM 6672 H1 TIP3 1422 22.231 -26.663 10.316 0.00 0.00 WAT1 ATOM 6673 H2 TIP3 1422 23.204 -27.817 10.201 0.00 0.00 WAT1 ATOM 6674 OH2 TIP3 1423 22.164 -18.971 7.396 0.00 0.00 WAT1 ATOM 6675 H1 TIP3 1423 22.228 -19.765 7.927 0.00 0.00 WAT1 ATOM 6676 H2 TIP3 1423 22.817 -19.090 6.707 0.00 0.00 WAT1 ATOM 6677 OH2 TIP3 1424 23.313 -20.999 9.702 0.00 0.00 WAT1 ATOM 6678 H1 TIP3 1424 22.854 -21.483 10.388 0.00 0.00 WAT1 ATOM 6679 H2 TIP3 1424 23.568 -21.667 9.066 0.00 0.00 WAT1 ATOM 6680 OH2 TIP3 1425 24.384 -22.756 7.965 0.00 0.00 WAT1 ATOM 6681 H1 TIP3 1425 24.204 -22.910 7.037 0.00 0.00 WAT1 ATOM 6682 H2 TIP3 1425 25.335 -22.648 8.009 0.00 0.00 WAT1 ATOM 6683 OH2 TIP3 1426 22.942 -25.751 23.141 0.00 0.00 WAT1 ATOM 6684 H1 TIP3 1426 23.092 -26.480 22.538 0.00 0.00 WAT1 ATOM 6685 H2 TIP3 1426 22.944 -24.974 22.582 0.00 0.00 WAT1 ATOM 6686 OH2 TIP3 1427 23.354 -27.381 20.633 0.00 0.00 WAT1 ATOM 6687 H1 TIP3 1427 23.890 -26.930 19.981 0.00 0.00 WAT1 ATOM 6688 H2 TIP3 1427 22.502 -27.489 20.211 0.00 0.00 WAT1 ATOM 6689 OH2 TIP3 1428 24.160 -29.925 21.065 0.00 0.00 WAT1 ATOM 6690 H1 TIP3 1428 24.062 -28.978 20.959 0.00 0.00 WAT1 ATOM 6691 H2 TIP3 1428 23.417 -30.297 20.589 0.00 0.00 WAT1 ATOM 6692 OH2 TIP3 1429 19.601 -26.632 24.757 0.00 0.00 WAT1 ATOM 6693 H1 TIP3 1429 19.812 -27.339 24.146 0.00 0.00 WAT1 ATOM 6694 H2 TIP3 1429 19.489 -27.070 25.601 0.00 0.00 WAT1 ATOM 6695 OH2 TIP3 1430 17.850 -17.429 8.449 0.00 0.00 WAT1 ATOM 6696 H1 TIP3 1430 18.764 -17.350 8.722 0.00 0.00 WAT1 ATOM 6697 H2 TIP3 1430 17.857 -18.116 7.782 0.00 0.00 WAT1 ATOM 6698 OH2 TIP3 1431 17.449 -20.880 17.782 0.00 0.00 WAT1 ATOM 6699 H1 TIP3 1431 17.633 -20.962 16.847 0.00 0.00 WAT1 ATOM 6700 H2 TIP3 1431 18.298 -21.004 18.206 0.00 0.00 WAT1 ATOM 6701 OH2 TIP3 1432 17.047 -25.609 23.923 0.00 0.00 WAT1 ATOM 6702 H1 TIP3 1432 17.966 -25.731 24.159 0.00 0.00 WAT1 ATOM 6703 H2 TIP3 1432 16.597 -26.359 24.312 0.00 0.00 WAT1 ATOM 6704 OH2 TIP3 1433 23.905 -29.868 13.926 0.00 0.00 WAT1 ATOM 6705 H1 TIP3 1433 24.779 -29.480 13.896 0.00 0.00 WAT1 ATOM 6706 H2 TIP3 1433 23.769 -30.083 14.849 0.00 0.00 WAT1 ATOM 6707 OH2 TIP3 1434 25.049 -27.788 10.816 0.00 0.00 WAT1 ATOM 6708 H1 TIP3 1434 25.227 -28.434 11.499 0.00 0.00 WAT1 ATOM 6709 H2 TIP3 1434 24.995 -26.954 11.283 0.00 0.00 WAT1 ATOM 6710 OH2 TIP3 1435 19.283 -29.281 23.630 0.00 0.00 WAT1 ATOM 6711 H1 TIP3 1435 18.917 -30.046 24.073 0.00 0.00 WAT1 ATOM 6712 H2 TIP3 1435 20.196 -29.252 23.917 0.00 0.00 WAT1 ATOM 6713 OH2 TIP3 1436 21.256 -29.930 25.166 0.00 0.00 WAT1 ATOM 6714 H1 TIP3 1436 22.155 -30.204 24.981 0.00 0.00 WAT1 ATOM 6715 H2 TIP3 1436 20.870 -30.673 25.630 0.00 0.00 WAT1 ATOM 6716 OH2 TIP3 1437 18.162 -29.997 28.772 0.00 0.00 WAT1 ATOM 6717 H1 TIP3 1437 18.601 -29.386 28.181 0.00 0.00 WAT1 ATOM 6718 H2 TIP3 1437 17.528 -29.459 29.246 0.00 0.00 WAT1 END