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 12:09:00 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 0.959 -8.834 -21.953 1.00 32.31 ATOM 2 CB MET 1 1.902 -7.195 -22.960 1.00 71.45 ATOM 3 HB1 MET 1 2.498 -7.738 -23.685 1.00 37.35 ATOM 4 HB2 MET 1 2.446 -6.310 -22.658 1.00 53.22 ATOM 5 CG MET 1 0.606 -6.782 -23.640 1.00 23.03 ATOM 6 HG1 MET 1 -0.178 -6.688 -22.902 1.00 37.35 ATOM 7 HG2 MET 1 0.332 -7.553 -24.343 1.00 23.51 ATOM 8 SD MET 1 0.749 -5.209 -24.509 1.00 40.20 ATOM 9 CE MET 1 0.365 -5.712 -26.185 1.00 14.25 ATOM 10 HE1 MET 1 0.412 -4.853 -26.838 1.00 23.35 ATOM 11 HE2 MET 1 -0.629 -6.134 -26.216 1.00 32.03 ATOM 12 HE3 MET 1 1.080 -6.452 -26.512 1.00 62.43 ATOM 13 C MET 1 3.004 -8.742 -21.332 1.00 10.33 ATOM 14 O MET 1 3.998 -8.071 -21.055 1.00 34.21 ATOM 15 N MET 1 1.169 -7.270 -20.621 1.00 12.12 ATOM 16 HT1 MET 1 1.033 -7.866 -19.776 1.00 37.35 ATOM 17 HT2 MET 1 0.249 -6.855 -20.874 1.00 37.35 ATOM 18 HT3 MET 1 1.828 -6.498 -20.377 1.00 37.35 ATOM 19 CA MET 1 1.692 -8.070 -21.723 1.00 13.53 ATOM 20 N GLY 2 3.000 -10.071 -21.311 1.00 32.21 ATOM 21 HN GLY 2 2.181 -10.565 -21.550 1.00 37.35 ATOM 22 CA GLY 2 4.195 -10.811 -20.952 1.00 65.20 ATOM 23 HA1 GLY 2 4.923 -10.155 -20.488 1.00 37.35 ATOM 24 HA2 GLY 2 4.628 -11.220 -21.852 1.00 61.44 ATOM 25 C GLY 2 3.906 -11.952 -19.997 1.00 63.30 ATOM 26 O GLY 2 2.751 -12.332 -19.804 1.00 60.50 ATOM 27 N HIS 3 4.958 -12.502 -19.398 1.00 42.13 ATOM 28 HN HIS 3 5.860 -12.146 -19.583 1.00 37.35 ATOM 29 CA HIS 3 4.812 -13.608 -18.459 1.00 14.13 ATOM 30 HA HIS 3 4.071 -14.295 -18.858 1.00 54.24 ATOM 31 CB HIS 3 6.135 -14.360 -18.313 1.00 0.44 ATOM 32 HB1 HIS 3 6.020 -15.149 -17.581 1.00 37.35 ATOM 33 HB2 HIS 3 6.897 -13.672 -17.974 1.00 63.31 ATOM 34 CG HIS 3 6.611 -14.988 -19.586 1.00 74.02 ATOM 35 ND1 HIS 3 5.808 -15.780 -20.380 1.00 40.44 ATOM 36 HD1 HIS 3 4.872 -16.009 -20.200 1.00 73.45 ATOM 37 CD2 HIS 3 7.814 -14.937 -20.203 1.00 42.53 ATOM 38 HD2 HIS 3 8.688 -14.402 -19.859 1.00 51.44 ATOM 39 CE1 HIS 3 6.498 -16.189 -21.430 1.00 31.21 ATOM 40 HE1 HIS 3 6.127 -16.822 -22.222 1.00 13.21 ATOM 41 NE2 HIS 3 7.718 -15.691 -21.347 1.00 23.14 ATOM 42 HE2 HIS 3 8.404 -15.758 -22.044 1.00 37.35 ATOM 43 C HIS 3 4.346 -13.105 -17.096 1.00 13.42 ATOM 44 O HIS 3 5.038 -12.325 -16.441 1.00 11.23 ATOM 45 N HIS 4 3.168 -13.555 -16.675 1.00 21.22 ATOM 46 HN HIS 4 2.658 -14.188 -17.233 1.00 37.35 ATOM 47 CA HIS 4 2.610 -13.150 -15.390 1.00 34.33 ATOM 48 HA HIS 4 3.157 -12.283 -15.027 1.00 42.41 ATOM 49 CB HIS 4 1.140 -12.760 -15.549 1.00 11.13 ATOM 50 HB1 HIS 4 0.643 -12.804 -14.587 1.00 37.35 ATOM 51 HB2 HIS 4 0.658 -13.450 -16.225 1.00 33.10 ATOM 52 CG HIS 4 0.943 -11.377 -16.090 1.00 34.41 ATOM 53 ND1 HIS 4 -0.198 -10.636 -15.864 1.00 32.41 ATOM 54 HD1 HIS 4 -0.975 -10.926 -15.343 1.00 24.13 ATOM 55 CD2 HIS 4 1.750 -10.601 -16.850 1.00 13.54 ATOM 56 HD2 HIS 4 2.732 -10.863 -17.217 1.00 61.32 ATOM 57 CE1 HIS 4 -0.085 -9.464 -16.463 1.00 20.33 ATOM 58 HE1 HIS 4 -0.825 -8.678 -16.458 1.00 42.13 ATOM 59 NE2 HIS 4 1.088 -9.417 -17.068 1.00 22.04 ATOM 60 HE2 HIS 4 1.389 -8.698 -17.662 1.00 37.35 ATOM 61 C HIS 4 2.742 -14.271 -14.362 1.00 44.54 ATOM 62 O HIS 4 2.285 -15.391 -14.588 1.00 73.32 ATOM 63 N HIS 5 3.372 -13.960 -13.234 1.00 22.44 ATOM 64 HN HIS 5 3.674 -13.036 -13.090 1.00 37.35 ATOM 65 CA HIS 5 3.565 -14.941 -12.172 1.00 24.35 ATOM 66 HA HIS 5 3.257 -15.918 -12.524 1.00 70.13 ATOM 67 CB HIS 5 5.042 -15.018 -11.782 1.00 12.15 ATOM 68 HB1 HIS 5 5.582 -15.509 -12.579 1.00 37.35 ATOM 69 HB2 HIS 5 5.160 -15.598 -10.876 1.00 40.14 ATOM 70 CG HIS 5 5.675 -13.678 -11.568 1.00 1.41 ATOM 71 ND1 HIS 5 6.182 -12.912 -12.597 1.00 12.03 ATOM 72 HD1 HIS 5 6.182 -13.156 -13.546 1.00 45.43 ATOM 73 CD2 HIS 5 5.881 -12.966 -10.435 1.00 20.21 ATOM 74 HD2 HIS 5 5.607 -13.263 -9.433 1.00 25.10 ATOM 75 CE1 HIS 5 6.674 -11.788 -12.106 1.00 35.53 ATOM 76 HE1 HIS 5 7.136 -10.997 -12.678 1.00 53.51 ATOM 77 NE2 HIS 5 6.503 -11.796 -10.796 1.00 20.41 ATOM 78 HE2 HIS 5 6.859 -11.126 -10.176 1.00 37.35 ATOM 79 C HIS 5 2.722 -14.592 -10.949 1.00 54.13 ATOM 80 O HIS 5 3.194 -14.665 -9.814 1.00 60.44 ATOM 81 N HIS 6 1.471 -14.211 -11.189 1.00 12.11 ATOM 82 HN HIS 6 1.134 -14.196 -12.116 1.00 37.35 ATOM 83 CA HIS 6 0.561 -13.850 -10.107 1.00 42.24 ATOM 84 HA HIS 6 1.138 -13.415 -9.297 1.00 50.51 ATOM 85 CB HIS 6 -0.448 -12.807 -10.588 1.00 74.14 ATOM 86 HB1 HIS 6 -1.084 -12.518 -9.762 1.00 37.35 ATOM 87 HB2 HIS 6 -1.057 -13.234 -11.373 1.00 4.12 ATOM 88 CG HIS 6 0.187 -11.564 -11.132 1.00 31.43 ATOM 89 ND1 HIS 6 1.490 -11.205 -10.861 1.00 25.40 ATOM 90 HD1 HIS 6 2.120 -11.699 -10.297 1.00 70.14 ATOM 91 CD2 HIS 6 -0.309 -10.596 -11.936 1.00 53.52 ATOM 92 HD2 HIS 6 -1.308 -10.553 -12.346 1.00 34.42 ATOM 93 CE1 HIS 6 1.768 -10.069 -11.474 1.00 1.51 ATOM 94 HE1 HIS 6 2.714 -9.549 -11.442 1.00 20.30 ATOM 95 NE2 HIS 6 0.693 -9.678 -12.134 1.00 13.42 ATOM 96 HE2 HIS 6 0.595 -8.819 -12.595 1.00 37.35 ATOM 97 C HIS 6 -0.172 -15.080 -9.581 1.00 1.24 ATOM 98 O HIS 6 -1.271 -15.402 -10.034 1.00 2.32 ATOM 99 N HIS 7 0.444 -15.764 -8.622 1.00 33.33 ATOM 100 HN HIS 7 1.323 -15.466 -8.294 1.00 37.35 ATOM 101 CA HIS 7 -0.151 -16.959 -8.033 1.00 64.44 ATOM 102 HA HIS 7 0.546 -17.354 -7.308 1.00 63.12 ATOM 103 CB HIS 7 -1.460 -16.608 -7.327 1.00 32.44 ATOM 104 HB1 HIS 7 -1.882 -17.508 -6.899 1.00 37.35 ATOM 105 HB2 HIS 7 -2.162 -16.197 -8.033 1.00 72.11 ATOM 106 CG HIS 7 -1.294 -15.620 -6.214 1.00 0.40 ATOM 107 ND1 HIS 7 -1.764 -14.325 -6.281 1.00 42.03 ATOM 108 HD1 HIS 7 -2.241 -13.927 -7.039 1.00 31.40 ATOM 109 CD2 HIS 7 -0.707 -15.743 -5.001 1.00 10.35 ATOM 110 HD2 HIS 7 -0.230 -16.629 -4.607 1.00 33.55 ATOM 111 CE1 HIS 7 -1.471 -13.694 -5.158 1.00 54.11 ATOM 112 HE1 HIS 7 -1.716 -12.668 -4.928 1.00 51.35 ATOM 113 NE2 HIS 7 -0.830 -14.532 -4.364 1.00 35.32 ATOM 114 HE2 HIS 7 -0.583 -14.351 -3.433 1.00 37.35 ATOM 115 C HIS 7 -0.403 -18.022 -9.099 1.00 43.31 ATOM 116 O HIS 7 -1.464 -18.645 -9.130 1.00 55.22 ATOM 117 N HIS 8 0.580 -18.223 -9.972 1.00 12.34 ATOM 118 HN HIS 8 1.415 -17.707 -9.902 1.00 37.35 ATOM 119 CA HIS 8 0.464 -19.210 -11.039 1.00 50.33 ATOM 120 HA HIS 8 -0.499 -19.706 -10.967 1.00 14.33 ATOM 121 CB HIS 8 0.568 -18.530 -12.405 1.00 4.42 ATOM 122 HB1 HIS 8 0.871 -19.253 -13.153 1.00 37.35 ATOM 123 HB2 HIS 8 1.307 -17.744 -12.359 1.00 71.33 ATOM 124 CG HIS 8 -0.718 -17.921 -12.871 1.00 12.13 ATOM 125 ND1 HIS 8 -0.982 -16.569 -12.797 1.00 64.41 ATOM 126 HD1 HIS 8 -0.376 -15.886 -12.442 1.00 52.23 ATOM 127 CD2 HIS 8 -1.818 -18.488 -13.420 1.00 43.45 ATOM 128 HD2 HIS 8 -1.962 -19.539 -13.627 1.00 54.41 ATOM 129 CE1 HIS 8 -2.188 -16.331 -13.280 1.00 20.22 ATOM 130 HE1 HIS 8 -2.661 -15.363 -13.350 1.00 41.45 ATOM 131 NE2 HIS 8 -2.717 -17.479 -13.665 1.00 45.34 ATOM 132 HE2 HIS 8 -3.640 -17.601 -13.972 1.00 37.35 ATOM 133 C HIS 8 1.542 -20.281 -10.908 1.00 30.32 ATOM 134 O HIS 8 2.524 -20.103 -10.187 1.00 13.21 ATOM 135 N SER 9 1.351 -21.395 -11.608 1.00 44.23 ATOM 136 HN SER 9 0.549 -21.475 -12.179 1.00 37.35 ATOM 137 CA SER 9 2.305 -22.497 -11.566 1.00 20.10 ATOM 138 HA SER 9 2.596 -22.660 -10.535 1.00 12.22 ATOM 139 CB SER 9 1.660 -23.778 -12.098 1.00 33.34 ATOM 140 HB1 SER 9 0.705 -23.925 -11.615 1.00 37.35 ATOM 141 HB2 SER 9 2.304 -24.618 -11.885 1.00 72.11 ATOM 142 OG SER 9 1.457 -23.704 -13.498 1.00 63.12 ATOM 143 HG SER 9 0.927 -24.451 -13.785 1.00 12.11 ATOM 144 C SER 9 3.553 -22.167 -12.379 1.00 71.34 ATOM 145 O SER 9 3.566 -21.214 -13.159 1.00 71.43 ATOM 146 N HIS 10 4.601 -22.963 -12.192 1.00 4.44 ATOM 147 HN HIS 10 4.530 -23.710 -11.550 1.00 37.35 ATOM 148 CA HIS 10 5.855 -22.757 -12.908 1.00 3.42 ATOM 149 HA HIS 10 5.628 -22.770 -13.970 1.00 41.22 ATOM 150 CB HIS 10 6.460 -21.401 -12.541 1.00 21.35 ATOM 151 HB1 HIS 10 7.047 -21.496 -11.636 1.00 37.35 ATOM 152 HB2 HIS 10 5.683 -20.676 -12.366 1.00 73.30 ATOM 153 CG HIS 10 7.355 -20.837 -13.601 1.00 73.42 ATOM 154 ND1 HIS 10 8.715 -21.061 -13.635 1.00 50.34 ATOM 155 HD1 HIS 10 9.224 -21.595 -12.990 1.00 32.15 ATOM 156 CD2 HIS 10 7.076 -20.057 -14.671 1.00 41.42 ATOM 157 HD2 HIS 10 6.102 -19.687 -14.957 1.00 44.32 ATOM 158 CE1 HIS 10 9.235 -20.440 -14.679 1.00 73.24 ATOM 159 HE1 HIS 10 10.278 -20.438 -14.958 1.00 34.42 ATOM 160 NE2 HIS 10 8.261 -19.824 -15.325 1.00 0.31 ATOM 161 HE2 HIS 10 8.383 -19.213 -16.081 1.00 37.35 ATOM 162 C HIS 10 6.849 -23.872 -12.596 1.00 13.33 ATOM 163 O HIS 10 7.272 -24.037 -11.452 1.00 14.11 ATOM 164 N MET 11 7.216 -24.634 -13.620 1.00 70.33 ATOM 165 HN MET 11 6.849 -24.463 -14.517 1.00 37.35 ATOM 166 CA MET 11 8.160 -25.733 -13.455 1.00 20.44 ATOM 167 HA MET 11 8.307 -26.167 -14.434 1.00 40.53 ATOM 168 CB MET 11 9.491 -25.213 -12.910 1.00 3.34 ATOM 169 HB1 MET 11 9.861 -25.901 -12.162 1.00 37.35 ATOM 170 HB2 MET 11 9.358 -24.248 -12.447 1.00 34.32 ATOM 171 CG MET 11 10.566 -25.062 -13.974 1.00 24.24 ATOM 172 HG1 MET 11 10.220 -24.354 -14.713 1.00 37.35 ATOM 173 HG2 MET 11 10.733 -26.016 -14.447 1.00 34.15 ATOM 174 SD MET 11 12.131 -24.469 -13.301 1.00 54.44 ATOM 175 CE MET 11 12.542 -25.799 -12.175 1.00 71.11 ATOM 176 HE1 MET 11 12.426 -26.747 -12.680 1.00 30.43 ATOM 177 HE2 MET 11 11.885 -25.763 -11.319 1.00 43.01 ATOM 178 HE3 MET 11 13.565 -25.689 -11.848 1.00 60.44 ATOM 179 C MET 11 7.596 -26.798 -12.519 1.00 71.23 ATOM 180 O MET 11 6.675 -26.550 -11.741 1.00 2.14 ATOM 181 N PRO 12 8.159 -28.013 -12.596 1.00 21.10 ATOM 182 CA PRO 12 7.728 -29.140 -11.763 1.00 12.40 ATOM 183 HA PRO 12 6.664 -29.309 -11.844 1.00 40.25 ATOM 184 CB PRO 12 8.483 -30.331 -12.358 1.00 42.52 ATOM 185 HB1 PRO 12 7.857 -30.813 -13.093 1.00 37.35 ATOM 186 HB2 PRO 12 8.752 -31.050 -11.594 1.00 44.15 ATOM 187 CG PRO 12 9.687 -29.733 -13.001 1.00 1.34 ATOM 188 HG1 PRO 12 10.009 -30.352 -13.825 1.00 37.35 ATOM 189 HG2 PRO 12 10.479 -29.632 -12.274 1.00 72.10 ATOM 190 CD PRO 12 9.261 -28.380 -13.501 1.00 72.54 ATOM 191 HD1 PRO 12 8.920 -28.443 -14.524 1.00 37.35 ATOM 192 HD2 PRO 12 10.083 -27.701 -13.417 1.00 21.42 ATOM 193 C PRO 12 8.100 -28.952 -10.296 1.00 50.12 ATOM 194 O PRO 12 9.088 -29.511 -9.820 1.00 43.13 ATOM 195 N ASP 13 7.303 -28.163 -9.585 1.00 13.32 ATOM 196 HN ASP 13 6.538 -27.726 -10.025 1.00 37.35 ATOM 197 CA ASP 13 7.548 -27.903 -8.171 1.00 13.41 ATOM 198 HA ASP 13 8.520 -28.295 -7.896 1.00 4.23 ATOM 199 CB ASP 13 7.547 -26.397 -7.900 1.00 34.43 ATOM 200 HB1 ASP 13 8.252 -25.919 -8.564 1.00 37.35 ATOM 201 HB2 ASP 13 7.845 -26.219 -6.877 1.00 72.45 ATOM 202 CG ASP 13 6.183 -25.771 -8.118 1.00 4.14 ATOM 203 OD1 ASP 13 5.422 -25.651 -7.135 1.00 42.12 ATOM 204 OD2 ASP 13 5.877 -25.401 -9.271 1.00 23.32 ATOM 205 C ASP 13 6.499 -28.589 -7.302 1.00 75.43 ATOM 206 O ASP 13 6.752 -28.909 -6.140 1.00 52.32 ATOM 207 N HIS 14 5.319 -28.813 -7.873 1.00 41.02 ATOM 208 HN HIS 14 5.158 -28.535 -8.799 1.00 37.35 ATOM 209 CA HIS 14 4.231 -29.462 -7.151 1.00 14.44 ATOM 210 HA HIS 14 4.256 -29.114 -6.123 1.00 11.52 ATOM 211 CB HIS 14 2.885 -29.093 -7.775 1.00 74.03 ATOM 212 HB1 HIS 14 2.556 -29.875 -8.449 1.00 37.35 ATOM 213 HB2 HIS 14 2.993 -28.175 -8.338 1.00 50.44 ATOM 214 CG HIS 14 1.799 -28.869 -6.769 1.00 15.53 ATOM 215 ND1 HIS 14 1.366 -27.614 -6.396 1.00 12.53 ATOM 216 HD1 HIS 14 1.712 -26.764 -6.739 1.00 51.44 ATOM 217 CD2 HIS 14 1.055 -29.748 -6.057 1.00 62.04 ATOM 218 HD2 HIS 14 1.124 -30.826 -6.097 1.00 61.20 ATOM 219 CE1 HIS 14 0.405 -27.731 -5.497 1.00 55.32 ATOM 220 HE1 HIS 14 -0.122 -26.915 -5.025 1.00 25.20 ATOM 221 NE2 HIS 14 0.197 -29.016 -5.275 1.00 14.03 ATOM 222 HE2 HIS 14 -0.523 -29.384 -4.721 1.00 37.35 ATOM 223 C HIS 14 4.406 -30.977 -7.149 1.00 64.15 ATOM 224 O HIS 14 4.138 -31.642 -6.150 1.00 70.41 ATOM 225 N GLY 15 4.859 -31.517 -8.278 1.00 15.34 ATOM 226 HN GLY 15 5.048 -30.952 -9.060 1.00 37.35 ATOM 227 CA GLY 15 5.061 -32.950 -8.385 1.00 42.43 ATOM 228 HA1 GLY 15 4.935 -33.430 -7.424 1.00 37.35 ATOM 229 HA2 GLY 15 6.071 -33.127 -8.724 1.00 12.52 ATOM 230 C GLY 15 4.107 -33.598 -9.368 1.00 54.12 ATOM 231 O GLY 15 4.531 -34.152 -10.383 1.00 12.43 ATOM 232 N ASP 16 2.815 -33.531 -9.067 1.00 55.02 ATOM 233 HN ASP 16 2.530 -33.063 -8.247 1.00 37.35 ATOM 234 CA ASP 16 1.797 -34.117 -9.932 1.00 13.23 ATOM 235 HA ASP 16 2.265 -34.849 -10.582 1.00 33.41 ATOM 236 CB ASP 16 0.738 -34.836 -9.094 1.00 63.43 ATOM 237 HB1 ASP 16 0.036 -35.328 -9.753 1.00 37.35 ATOM 238 HB2 ASP 16 0.210 -34.114 -8.485 1.00 13.53 ATOM 239 CG ASP 16 1.340 -35.881 -8.175 1.00 13.14 ATOM 240 OD1 ASP 16 1.525 -35.581 -6.976 1.00 41.24 ATOM 241 OD2 ASP 16 1.624 -36.999 -8.653 1.00 0.33 ATOM 242 C ASP 16 1.138 -33.047 -10.797 1.00 74.21 ATOM 243 O ASP 16 0.972 -31.905 -10.370 1.00 14.23 ATOM 244 N TRP 17 0.766 -33.425 -12.015 1.00 35.45 ATOM 245 HN TRP 17 0.913 -34.357 -12.303 1.00 37.35 ATOM 246 CA TRP 17 0.126 -32.498 -12.941 1.00 15.25 ATOM 247 HA TRP 17 0.219 -31.487 -12.559 1.00 22.32 ATOM 248 CB TRP 17 0.806 -32.560 -14.309 1.00 5.23 ATOM 249 HB1 TRP 17 0.264 -31.937 -15.011 1.00 37.35 ATOM 250 HB2 TRP 17 0.802 -33.578 -14.664 1.00 34.14 ATOM 251 CG TRP 17 2.232 -32.096 -14.285 1.00 35.24 ATOM 252 CD1 TRP 17 3.316 -32.802 -13.847 1.00 73.12 ATOM 253 HD1 TRP 17 3.270 -33.808 -13.456 1.00 4.22 ATOM 254 CD2 TRP 17 2.726 -30.823 -14.714 1.00 71.12 ATOM 255 NE1 TRP 17 4.454 -32.044 -13.979 1.00 64.41 ATOM 256 HE1 TRP 17 5.359 -32.330 -13.734 1.00 54.15 ATOM 257 CE2 TRP 17 4.120 -30.827 -14.509 1.00 54.34 ATOM 258 CE3 TRP 17 2.127 -29.681 -15.254 1.00 25.42 ATOM 259 HE3 TRP 17 1.062 -29.638 -15.427 1.00 42.34 ATOM 260 CZ2 TRP 17 4.921 -29.732 -14.825 1.00 33.45 ATOM 261 HZ2 TRP 17 5.989 -29.741 -14.666 1.00 2.32 ATOM 262 CZ3 TRP 17 2.924 -28.596 -15.566 1.00 30.13 ATOM 263 HZ3 TRP 17 2.479 -27.705 -15.983 1.00 41.32 ATOM 264 CH2 TRP 17 4.308 -28.628 -15.351 1.00 44.13 ATOM 265 HH2 TRP 17 4.891 -27.756 -15.609 1.00 63.35 ATOM 266 C TRP 17 -1.360 -32.810 -13.084 1.00 10.34 ATOM 267 O TRP 17 -2.210 -32.094 -12.552 1.00 44.34 ATOM 268 N THR 18 -1.668 -33.883 -13.805 1.00 34.44 ATOM 269 HN THR 18 -0.958 -34.458 -14.166 1.00 37.35 ATOM 270 CA THR 18 -3.052 -34.289 -14.018 1.00 63.21 ATOM 271 HA THR 18 -3.698 -33.423 -13.901 1.00 5.42 ATOM 272 CB THR 18 -3.258 -34.857 -15.435 1.00 33.21 ATOM 273 HB THR 18 -4.147 -35.478 -15.449 1.00 12.30 ATOM 274 OG1 THR 18 -2.130 -35.654 -15.812 1.00 72.34 ATOM 275 HG1 THR 18 -2.394 -36.295 -16.477 1.00 25.54 ATOM 276 CG2 THR 18 -3.454 -33.736 -16.444 1.00 71.02 ATOM 277 HG21 THR 18 -4.324 -33.154 -16.175 1.00 41.03 ATOM 278 HG22 THR 18 -3.596 -34.160 -17.427 1.00 72.15 ATOM 279 HG23 THR 18 -2.582 -33.098 -16.452 1.00 41.23 ATOM 280 C THR 18 -3.482 -35.335 -12.996 1.00 21.02 ATOM 281 O THR 18 -4.244 -35.040 -12.075 1.00 31.31 ATOM 282 N TYR 19 -2.989 -36.557 -13.163 1.00 44.13 ATOM 283 HN TYR 19 -2.371 -36.740 -13.910 1.00 37.35 ATOM 284 CA TYR 19 -3.324 -37.648 -12.255 1.00 43.55 ATOM 285 HA TYR 19 -3.470 -37.232 -11.261 1.00 74.41 ATOM 286 CB TYR 19 -4.616 -38.333 -12.703 1.00 63.13 ATOM 287 HB1 TYR 19 -4.602 -39.375 -12.398 1.00 37.35 ATOM 288 HB2 TYR 19 -4.684 -38.295 -13.783 1.00 44.54 ATOM 289 CG TYR 19 -5.865 -37.711 -12.121 1.00 44.41 ATOM 290 CD1 TYR 19 -6.713 -36.941 -12.908 1.00 22.14 ATOM 291 HD1 TYR 19 -6.473 -36.787 -13.951 1.00 43.03 ATOM 292 CD2 TYR 19 -6.197 -37.893 -10.784 1.00 61.12 ATOM 293 HD2 TYR 19 -5.550 -38.489 -10.155 1.00 15.21 ATOM 294 CE1 TYR 19 -7.854 -36.370 -12.379 1.00 74.05 ATOM 295 HE1 TYR 19 -8.501 -35.775 -13.007 1.00 1.50 ATOM 296 CE2 TYR 19 -7.337 -37.327 -10.248 1.00 33.11 ATOM 297 HE2 TYR 19 -7.578 -37.481 -9.206 1.00 41.04 ATOM 298 CZ TYR 19 -8.162 -36.566 -11.049 1.00 74.04 ATOM 299 OH TYR 19 -9.299 -36.000 -10.520 1.00 35.01 ATOM 300 HH TYR 19 -10.076 -36.472 -10.835 1.00 45.42 ATOM 301 C TYR 19 -2.191 -38.667 -12.187 1.00 61.23 ATOM 302 O TYR 19 -1.921 -39.376 -13.156 1.00 33.50 ATOM 303 N GLU 20 -1.532 -38.734 -11.035 1.00 11.04 ATOM 304 HN GLU 20 -1.780 -38.130 -10.295 1.00 37.35 ATOM 305 CA GLU 20 -0.428 -39.667 -10.839 1.00 52.53 ATOM 306 HA GLU 20 -0.573 -40.517 -11.500 1.00 64.23 ATOM 307 CB GLU 20 0.903 -38.996 -11.187 1.00 34.11 ATOM 308 HB1 GLU 20 1.724 -39.569 -10.770 1.00 37.35 ATOM 309 HB2 GLU 20 0.914 -38.011 -10.747 1.00 10.55 ATOM 310 CG GLU 20 1.132 -38.836 -12.680 1.00 70.54 ATOM 311 HG1 GLU 20 1.913 -38.103 -12.820 1.00 37.35 ATOM 312 HG2 GLU 20 0.241 -38.483 -13.160 1.00 24.22 ATOM 313 CD GLU 20 1.578 -40.125 -13.343 1.00 74.52 ATOM 314 OE1 GLU 20 1.144 -40.385 -14.485 1.00 70.33 ATOM 315 OE2 GLU 20 2.359 -40.874 -12.720 1.00 62.14 ATOM 316 C GLU 20 -0.394 -40.175 -9.401 1.00 63.21 ATOM 317 O GLU 20 -0.234 -39.397 -8.461 1.00 74.40 ATOM 318 N GLU 21 -0.545 -41.486 -9.239 1.00 63.13 ATOM 319 HN GLU 21 -0.601 -42.059 -10.034 1.00 37.35 ATOM 320 CA GLU 21 -0.532 -42.098 -7.916 1.00 32.30 ATOM 321 HA GLU 21 -1.256 -41.589 -7.304 1.00 32.02 ATOM 322 CB GLU 21 -0.918 -43.576 -8.010 1.00 12.15 ATOM 323 HB1 GLU 21 -0.771 -44.043 -7.044 1.00 37.35 ATOM 324 HB2 GLU 21 -0.281 -44.065 -8.731 1.00 22.50 ATOM 325 CG GLU 21 -2.365 -43.803 -8.415 1.00 1.32 ATOM 326 HG1 GLU 21 -3.004 -43.144 -7.843 1.00 37.35 ATOM 327 HG2 GLU 21 -2.626 -44.828 -8.198 1.00 41.22 ATOM 328 CD GLU 21 -2.603 -43.551 -9.891 1.00 55.00 ATOM 329 OE1 GLU 21 -3.043 -42.435 -10.238 1.00 42.44 ATOM 330 OE2 GLU 21 -2.351 -44.469 -10.698 1.00 75.54 ATOM 331 C GLU 21 0.841 -41.960 -7.266 1.00 23.24 ATOM 332 O GLU 21 1.025 -41.167 -6.343 1.00 40.52 ATOM 333 N GLN 22 1.801 -42.739 -7.753 1.00 64.24 ATOM 334 HN GLN 22 1.614 -43.342 -8.507 1.00 37.35 ATOM 335 CA GLN 22 3.158 -42.705 -7.219 1.00 14.11 ATOM 336 HA GLN 22 3.345 -41.726 -6.793 1.00 11.03 ATOM 337 CB GLN 22 3.322 -43.757 -6.120 1.00 43.45 ATOM 338 HB1 GLN 22 2.573 -43.577 -5.362 1.00 37.35 ATOM 339 HB2 GLN 22 4.300 -43.649 -5.669 1.00 64.43 ATOM 340 CG GLN 22 3.154 -45.184 -6.615 1.00 65.30 ATOM 341 HG1 GLN 22 2.406 -45.215 -7.398 1.00 37.35 ATOM 342 HG2 GLN 22 2.818 -45.790 -5.786 1.00 44.52 ATOM 343 CD GLN 22 4.449 -45.777 -7.136 1.00 74.15 ATOM 344 OE1 GLN 22 5.337 -46.135 -6.363 1.00 20.22 ATOM 345 NE2 GLN 22 4.562 -45.884 -8.455 1.00 71.42 ATOM 346 HE21 GLN 22 3.820 -45.584 -9.027 1.00 71.40 ATOM 347 HE22 GLN 22 5.392 -46.264 -8.811 1.00 31.25 ATOM 348 C GLN 22 4.184 -42.940 -8.322 1.00 72.14 ATOM 349 O GLN 22 3.832 -43.312 -9.442 1.00 42.12 ATOM 350 N PHE 23 5.454 -42.721 -7.999 1.00 51.51 ATOM 351 HN PHE 23 5.675 -42.463 -7.076 1.00 37.35 ATOM 352 CA PHE 23 6.532 -42.907 -8.964 1.00 34.24 ATOM 353 HA PHE 23 6.134 -43.353 -9.867 1.00 62.22 ATOM 354 CB PHE 23 7.159 -41.560 -9.327 1.00 12.34 ATOM 355 HB1 PHE 23 6.557 -41.103 -10.102 1.00 37.35 ATOM 356 HB2 PHE 23 8.162 -41.710 -9.711 1.00 72.51 ATOM 357 CG PHE 23 7.246 -40.608 -8.168 1.00 42.42 ATOM 358 CD1 PHE 23 7.871 -40.985 -6.990 1.00 41.43 ATOM 359 HD1 PHE 23 8.304 -41.951 -6.902 1.00 72.54 ATOM 360 CD2 PHE 23 6.704 -39.336 -8.257 1.00 41.33 ATOM 361 HD2 PHE 23 6.213 -39.027 -9.170 1.00 23.13 ATOM 362 CE1 PHE 23 7.952 -40.111 -5.923 1.00 1.43 ATOM 363 HE1 PHE 23 8.438 -40.421 -5.022 1.00 61.13 ATOM 364 CE2 PHE 23 6.782 -38.457 -7.193 1.00 65.20 ATOM 365 HE2 PHE 23 6.356 -37.468 -7.276 1.00 62.53 ATOM 366 CZ PHE 23 7.408 -38.845 -6.025 1.00 23.04 ATOM 367 HZ PHE 23 7.462 -38.161 -5.199 1.00 10.43 ATOM 368 C PHE 23 7.600 -43.846 -8.410 1.00 50.24 ATOM 369 O PHE 23 7.624 -44.144 -7.216 1.00 15.51 ATOM 370 N LYS 24 8.483 -44.310 -9.288 1.00 3.41 ATOM 371 HN LYS 24 8.417 -44.029 -10.233 1.00 37.35 ATOM 372 CA LYS 24 9.556 -45.214 -8.890 1.00 14.11 ATOM 373 HA LYS 24 9.123 -46.001 -8.283 1.00 70.11 ATOM 374 CB LYS 24 10.210 -45.837 -10.125 1.00 74.40 ATOM 375 HB1 LYS 24 10.950 -45.151 -10.521 1.00 37.35 ATOM 376 HB2 LYS 24 9.453 -45.978 -10.881 1.00 14.43 ATOM 377 CG LYS 24 10.904 -47.159 -9.844 1.00 55.11 ATOM 378 HG1 LYS 24 11.248 -47.179 -8.817 1.00 37.35 ATOM 379 HG2 LYS 24 11.758 -47.250 -10.502 1.00 35.42 ATOM 380 CD LYS 24 9.971 -48.337 -10.071 1.00 25.44 ATOM 381 HD1 LYS 24 9.032 -48.159 -9.564 1.00 37.35 ATOM 382 HD2 LYS 24 10.432 -49.226 -9.667 1.00 21.10 ATOM 383 CE LYS 24 9.702 -48.559 -11.551 1.00 43.41 ATOM 384 HE1 LYS 24 10.645 -48.623 -12.077 1.00 37.35 ATOM 385 HE2 LYS 24 9.133 -47.728 -11.935 1.00 34.22 ATOM 386 NZ LYS 24 8.935 -49.812 -11.794 1.00 42.43 ATOM 387 HZ1 LYS 24 8.015 -49.773 -11.308 1.00 32.44 ATOM 388 HZ2 LYS 24 9.466 -50.636 -11.443 1.00 23.12 ATOM 389 HZ3 LYS 24 8.769 -49.933 -12.814 1.00 53.42 ATOM 390 C LYS 24 10.606 -44.481 -8.061 1.00 34.21 ATOM 391 O LYS 24 11.463 -45.106 -7.438 1.00 24.01 ATOM 392 N GLN 25 10.530 -43.154 -8.057 1.00 70.24 ATOM 393 HN GLN 25 9.871 -42.696 -8.617 1.00 37.35 ATOM 394 CA GLN 25 11.474 -42.338 -7.304 1.00 2.23 ATOM 395 HA GLN 25 12.438 -42.460 -7.770 1.00 21.43 ATOM 396 CB GLN 25 11.049 -40.869 -7.336 1.00 5.41 ATOM 397 HB1 GLN 25 10.446 -40.650 -6.475 1.00 37.35 ATOM 398 HB2 GLN 25 10.470 -40.676 -8.227 1.00 74.54 ATOM 399 CG GLN 25 12.219 -39.897 -7.323 1.00 15.03 ATOM 400 HG1 GLN 25 12.737 -39.991 -6.379 1.00 37.35 ATOM 401 HG2 GLN 25 11.831 -38.893 -7.418 1.00 23.20 ATOM 402 CD GLN 25 13.195 -40.143 -8.456 1.00 31.31 ATOM 403 OE1 GLN 25 12.922 -39.809 -9.609 1.00 63.22 ATOM 404 NE2 GLN 25 14.341 -40.731 -8.133 1.00 2.32 ATOM 405 HE21 GLN 25 14.507 -40.978 -7.195 1.00 24.15 ATOM 406 HE22 GLN 25 14.985 -40.898 -8.852 1.00 41.45 ATOM 407 C GLN 25 11.577 -42.818 -5.860 1.00 5.02 ATOM 408 O GLN 25 12.666 -43.127 -5.374 1.00 22.33 ATOM 409 N LEU 26 10.439 -42.878 -5.179 1.00 14.33 ATOM 410 HN LEU 26 9.606 -42.619 -5.619 1.00 37.35 ATOM 411 CA LEU 26 10.400 -43.320 -3.789 1.00 65.31 ATOM 412 HA LEU 26 10.956 -42.608 -3.215 1.00 31.23 ATOM 413 CB LEU 26 8.955 -43.377 -3.291 1.00 4.13 ATOM 414 HB1 LEU 26 8.848 -44.216 -2.628 1.00 37.35 ATOM 415 HB2 LEU 26 8.306 -43.544 -4.141 1.00 1.21 ATOM 416 CG LEU 26 8.454 -42.140 -2.544 1.00 71.22 ATOM 417 HG LEU 26 8.514 -41.285 -3.193 1.00 54.43 ATOM 418 CD1 LEU 26 7.000 -42.317 -2.135 1.00 51.21 ATOM 419 HD11 LEU 26 6.934 -42.981 -1.283 1.00 2.12 ATOM 420 HD12 LEU 26 6.437 -42.742 -2.952 1.00 21.03 ATOM 421 HD13 LEU 26 6.582 -41.357 -1.873 1.00 13.13 ATOM 422 CD2 LEU 26 9.323 -41.864 -1.326 1.00 11.20 ATOM 423 HD21 LEU 26 9.470 -42.770 -0.754 1.00 32.52 ATOM 424 HD22 LEU 26 8.846 -41.120 -0.704 1.00 13.44 ATOM 425 HD23 LEU 26 10.270 -41.482 -1.653 1.00 54.43 ATOM 426 C LEU 26 11.058 -44.688 -3.635 1.00 75.20 ATOM 427 O LEU 26 11.581 -45.021 -2.571 1.00 52.42 ATOM 428 N TYR 27 11.028 -45.476 -4.704 1.00 23.31 ATOM 429 HN TYR 27 10.558 -45.190 -5.510 1.00 37.35 ATOM 430 CA TYR 27 11.621 -46.808 -4.688 1.00 32.54 ATOM 431 HA TYR 27 11.483 -47.237 -3.700 1.00 22.03 ATOM 432 CB TYR 27 10.934 -47.708 -5.717 1.00 10.41 ATOM 433 HB1 TYR 27 11.559 -48.574 -5.914 1.00 37.35 ATOM 434 HB2 TYR 27 10.798 -47.164 -6.635 1.00 51.52 ATOM 435 CG TYR 27 9.574 -48.202 -5.278 1.00 23.04 ATOM 436 CD1 TYR 27 9.313 -49.561 -5.156 1.00 61.25 ATOM 437 HD1 TYR 27 10.091 -50.263 -5.397 1.00 24.21 ATOM 438 CD2 TYR 27 8.551 -47.309 -4.983 1.00 30.54 ATOM 439 HD2 TYR 27 8.723 -46.250 -5.074 1.00 12.14 ATOM 440 CE1 TYR 27 8.072 -50.017 -4.756 1.00 61.12 ATOM 441 HE1 TYR 27 7.882 -51.074 -4.671 1.00 2.24 ATOM 442 CE2 TYR 27 7.307 -47.756 -4.580 1.00 63.41 ATOM 443 HE2 TYR 27 6.525 -47.046 -4.355 1.00 61.33 ATOM 444 CZ TYR 27 7.073 -49.111 -4.469 1.00 34.01 ATOM 445 OH TYR 27 5.835 -49.561 -4.068 1.00 64.25 ATOM 446 HH TYR 27 5.884 -49.892 -3.166 1.00 71.43 ATOM 447 C TYR 27 13.118 -46.742 -4.972 1.00 62.33 ATOM 448 O TYR 27 13.888 -47.577 -4.498 1.00 60.15 ATOM 449 N GLU 28 13.523 -45.742 -5.749 1.00 74.33 ATOM 450 HN GLU 28 12.871 -45.116 -6.123 1.00 37.35 ATOM 451 CA GLU 28 14.928 -45.567 -6.098 1.00 14.54 ATOM 452 HA GLU 28 15.458 -46.497 -5.924 1.00 25.00 ATOM 453 CB GLU 28 15.067 -45.202 -7.577 1.00 45.01 ATOM 454 HB1 GLU 28 16.100 -44.939 -7.781 1.00 37.35 ATOM 455 HB2 GLU 28 14.440 -44.347 -7.785 1.00 33.20 ATOM 456 CG GLU 28 14.669 -46.324 -8.521 1.00 34.12 ATOM 457 HG1 GLU 28 13.592 -46.401 -8.531 1.00 37.35 ATOM 458 HG2 GLU 28 15.091 -47.255 -8.165 1.00 1.12 ATOM 459 CD GLU 28 15.150 -46.092 -9.940 1.00 24.03 ATOM 460 OE1 GLU 28 14.603 -45.194 -10.613 1.00 65.12 ATOM 461 OE2 GLU 28 16.075 -46.809 -10.376 1.00 42.02 ATOM 462 C GLU 28 15.571 -44.486 -5.233 1.00 64.23 ATOM 463 O GLU 28 16.474 -43.776 -5.677 1.00 43.35 ATOM 464 N LEU 29 15.100 -44.368 -3.997 1.00 5.32 ATOM 465 HN LEU 29 14.404 -44.974 -3.675 1.00 37.35 ATOM 466 CA LEU 29 15.629 -43.374 -3.069 1.00 11.12 ATOM 467 HA LEU 29 15.635 -42.416 -3.567 1.00 53.35 ATOM 468 CB LEU 29 14.747 -43.293 -1.821 1.00 44.43 ATOM 469 HB1 LEU 29 15.292 -42.765 -1.044 1.00 37.35 ATOM 470 HB2 LEU 29 14.569 -44.304 -1.478 1.00 51.14 ATOM 471 CG LEU 29 13.395 -42.602 -1.999 1.00 52.01 ATOM 472 HG LEU 29 12.872 -43.095 -2.775 1.00 2.21 ATOM 473 CD1 LEU 29 12.581 -42.684 -0.717 1.00 73.42 ATOM 474 HD11 LEU 29 11.887 -41.874 -0.667 1.00 54.14 ATOM 475 HD12 LEU 29 13.235 -42.629 0.144 1.00 3.13 ATOM 476 HD13 LEU 29 12.042 -43.617 -0.690 1.00 5.23 ATOM 477 CD2 LEU 29 13.587 -41.152 -2.418 1.00 44.15 ATOM 478 HD21 LEU 29 13.939 -41.119 -3.438 1.00 33.55 ATOM 479 HD22 LEU 29 14.315 -40.678 -1.776 1.00 52.44 ATOM 480 HD23 LEU 29 12.647 -40.618 -2.351 1.00 22.50 ATOM 481 C LEU 29 17.063 -43.709 -2.671 1.00 50.50 ATOM 482 O LEU 29 17.958 -42.869 -2.773 1.00 70.43 ATOM 483 N ASP 30 17.274 -44.940 -2.219 1.00 40.14 ATOM 484 HN ASP 30 16.518 -45.563 -2.139 1.00 37.35 ATOM 485 CA ASP 30 18.600 -45.387 -1.809 1.00 62.15 ATOM 486 HA ASP 30 19.301 -44.568 -1.929 1.00 63.21 ATOM 487 CB ASP 30 18.584 -45.825 -0.344 1.00 74.22 ATOM 488 HB1 ASP 30 18.719 -46.892 -0.282 1.00 37.35 ATOM 489 HB2 ASP 30 17.637 -45.563 0.105 1.00 44.30 ATOM 490 CG ASP 30 19.682 -45.168 0.469 1.00 72.41 ATOM 491 OD1 ASP 30 20.760 -45.781 0.612 1.00 3.24 ATOM 492 OD2 ASP 30 19.462 -44.042 0.963 1.00 64.25 ATOM 493 C ASP 30 19.083 -46.535 -2.691 1.00 3.41 ATOM 494 O ASP 30 20.262 -46.614 -3.032 1.00 65.54 ATOM 495 N GLY 31 18.163 -47.422 -3.055 1.00 70.52 ATOM 496 HN GLY 31 17.239 -47.343 -2.741 1.00 37.35 ATOM 497 CA GLY 31 18.515 -48.554 -3.893 1.00 33.45 ATOM 498 HA1 GLY 31 19.417 -48.345 -4.456 1.00 37.35 ATOM 499 HA2 GLY 31 17.709 -48.721 -4.593 1.00 22.12 ATOM 500 C GLY 31 18.721 -49.825 -3.093 1.00 21.34 ATOM 501 O GLY 31 19.705 -50.539 -3.291 1.00 13.33 ATOM 502 N ASP 32 17.793 -50.109 -2.185 1.00 51.44 ATOM 503 HN ASP 32 17.022 -49.508 -2.066 1.00 37.35 ATOM 504 CA ASP 32 17.878 -51.302 -1.352 1.00 33.13 ATOM 505 HA ASP 32 18.777 -51.843 -1.621 1.00 50.43 ATOM 506 CB ASP 32 17.961 -50.914 0.125 1.00 12.43 ATOM 507 HB1 ASP 32 17.781 -51.775 0.727 1.00 37.35 ATOM 508 HB2 ASP 32 17.210 -50.175 0.340 1.00 13.05 ATOM 509 CG ASP 32 19.320 -50.359 0.502 1.00 2.53 ATOM 510 OD1 ASP 32 19.602 -50.253 1.714 1.00 22.11 ATOM 511 OD2 ASP 32 20.102 -50.029 -0.414 1.00 51.24 ATOM 512 C ASP 32 16.677 -52.214 -1.584 1.00 13.40 ATOM 513 O ASP 32 15.610 -51.778 -2.017 1.00 40.53 ATOM 514 N PRO 33 16.852 -53.511 -1.290 1.00 43.45 ATOM 515 CA PRO 33 15.794 -54.511 -1.460 1.00 1.21 ATOM 516 HA PRO 33 15.393 -54.499 -2.458 1.00 15.50 ATOM 517 CB PRO 33 16.519 -55.838 -1.224 1.00 4.14 ATOM 518 HB1 PRO 33 16.849 -56.237 -2.171 1.00 37.35 ATOM 519 HB2 PRO 33 15.866 -56.555 -0.740 1.00 20.52 ATOM 520 CG PRO 33 17.681 -55.486 -0.360 1.00 64.13 ATOM 521 HG1 PRO 33 18.488 -56.183 -0.533 1.00 37.35 ATOM 522 HG2 PRO 33 17.385 -55.509 0.674 1.00 34.24 ATOM 523 CD PRO 33 18.097 -54.100 -0.770 1.00 62.30 ATOM 524 HD1 PRO 33 18.848 -54.151 -1.545 1.00 37.35 ATOM 525 HD2 PRO 33 18.475 -53.562 0.076 1.00 54.21 ATOM 526 C PRO 33 14.663 -54.335 -0.452 1.00 44.12 ATOM 527 O PRO 33 13.588 -54.916 -0.602 1.00 2.12 ATOM 528 N LYS 34 14.912 -53.529 0.575 1.00 64.52 ATOM 529 HN LYS 34 15.753 -53.052 0.624 1.00 37.35 ATOM 530 CA LYS 34 13.915 -53.275 1.607 1.00 10.25 ATOM 531 HA LYS 34 13.269 -54.137 1.683 1.00 2.20 ATOM 532 CB LYS 34 14.595 -53.070 2.963 1.00 21.00 ATOM 533 HB1 LYS 34 13.871 -53.282 3.737 1.00 37.35 ATOM 534 HB2 LYS 34 14.909 -52.037 3.066 1.00 12.53 ATOM 535 CG LYS 34 15.791 -53.979 3.187 1.00 61.11 ATOM 536 HG1 LYS 34 15.631 -54.922 2.678 1.00 37.35 ATOM 537 HG2 LYS 34 15.877 -54.164 4.249 1.00 1.32 ATOM 538 CD LYS 34 17.074 -53.351 2.668 1.00 72.21 ATOM 539 HD1 LYS 34 16.918 -52.303 2.457 1.00 37.35 ATOM 540 HD2 LYS 34 17.366 -53.853 1.784 1.00 43.55 ATOM 541 CE LYS 34 18.202 -53.469 3.681 1.00 31.23 ATOM 542 HE1 LYS 34 18.484 -54.508 3.767 1.00 37.35 ATOM 543 HE2 LYS 34 17.857 -53.109 4.642 1.00 50.15 ATOM 544 NZ LYS 34 19.395 -52.675 3.278 1.00 64.54 ATOM 545 HZ1 LYS 34 20.146 -52.777 3.991 1.00 62.40 ATOM 546 HZ2 LYS 34 19.149 -51.667 3.196 1.00 71.34 ATOM 547 HZ3 LYS 34 19.759 -53.008 2.361 1.00 5.00 ATOM 548 C LYS 34 13.072 -52.052 1.260 1.00 50.01 ATOM 549 O LYS 34 11.949 -51.904 1.741 1.00 13.34 ATOM 550 N ARG 35 13.621 -51.180 0.421 1.00 53.24 ATOM 551 HN ARG 35 14.531 -51.333 0.082 1.00 37.35 ATOM 552 CA ARG 35 12.919 -49.970 0.009 1.00 75.32 ATOM 553 HA ARG 35 12.815 -49.348 0.883 1.00 33.33 ATOM 554 CB ARG 35 13.715 -49.235 -1.070 1.00 43.15 ATOM 555 HB1 ARG 35 13.406 -49.552 -2.053 1.00 37.35 ATOM 556 HB2 ARG 35 14.758 -49.482 -0.969 1.00 24.21 ATOM 557 CG ARG 35 13.563 -47.724 -1.017 1.00 12.44 ATOM 558 HG1 ARG 35 12.512 -47.472 -1.030 1.00 37.35 ATOM 559 HG2 ARG 35 14.047 -47.294 -1.881 1.00 31.44 ATOM 560 CD ARG 35 14.196 -47.144 0.238 1.00 24.25 ATOM 561 HD1 ARG 35 13.591 -47.422 1.088 1.00 37.35 ATOM 562 HD2 ARG 35 14.215 -46.067 0.148 1.00 11.14 ATOM 563 NE ARG 35 15.562 -47.625 0.434 1.00 15.14 ATOM 564 HE ARG 35 16.010 -48.080 -0.314 1.00 64.22 ATOM 565 CZ ARG 35 16.248 -47.451 1.558 1.00 13.24 ATOM 566 NH1 ARG 35 15.699 -46.811 2.582 1.00 72.31 ATOM 567 HH11 ARG 35 14.785 -46.444 2.516 1.00 12.52 ATOM 568 HH12 ARG 35 16.214 -46.697 3.434 1.00 42.34 ATOM 569 NH2 ARG 35 17.486 -47.918 1.660 1.00 13.54 ATOM 570 HH21 ARG 35 17.899 -48.375 0.897 1.00 33.40 ATOM 571 HH22 ARG 35 18.001 -47.806 2.512 1.00 2.04 ATOM 572 C ARG 35 11.523 -50.302 -0.512 1.00 20.25 ATOM 573 O ARG 35 10.518 -49.969 0.117 1.00 24.14 ATOM 574 N LYS 36 11.468 -50.960 -1.664 1.00 62.45 ATOM 575 HN LYS 36 12.293 -51.164 -2.129 1.00 37.35 ATOM 576 CA LYS 36 10.197 -51.339 -2.270 1.00 41.24 ATOM 577 HA LYS 36 9.648 -50.434 -2.492 1.00 44.54 ATOM 578 CB LYS 36 10.438 -52.104 -3.574 1.00 14.51 ATOM 579 HB1 LYS 36 11.172 -51.589 -4.163 1.00 37.35 ATOM 580 HB2 LYS 36 9.517 -52.131 -4.123 1.00 32.12 ATOM 581 CG LYS 36 10.864 -53.546 -3.363 1.00 74.11 ATOM 582 HG1 LYS 36 10.802 -54.058 -4.311 1.00 37.35 ATOM 583 HG2 LYS 36 10.208 -54.043 -2.671 1.00 70.23 ATOM 584 CD LYS 36 12.293 -53.637 -2.855 1.00 53.01 ATOM 585 HD1 LYS 36 12.545 -54.683 -2.765 1.00 37.35 ATOM 586 HD2 LYS 36 12.383 -53.174 -1.897 1.00 74.40 ATOM 587 CE LYS 36 13.272 -52.998 -3.828 1.00 72.42 ATOM 588 HE1 LYS 36 14.271 -53.248 -3.526 1.00 37.35 ATOM 589 HE2 LYS 36 13.161 -51.929 -3.808 1.00 2.14 ATOM 590 NZ LYS 36 13.062 -53.480 -5.222 1.00 4.12 ATOM 591 HZ1 LYS 36 12.940 -54.516 -5.243 1.00 32.03 ATOM 592 HZ2 LYS 36 13.887 -53.235 -5.805 1.00 21.44 ATOM 593 HZ3 LYS 36 12.221 -53.031 -5.639 1.00 3.32 ATOM 594 C LYS 36 9.371 -52.192 -1.313 1.00 53.23 ATOM 595 O LYS 36 8.141 -52.183 -1.365 1.00 24.44 ATOM 596 N GLU 37 10.054 -52.925 -0.441 1.00 25.54 ATOM 597 HN GLU 37 11.032 -52.915 -0.450 1.00 37.35 ATOM 598 CA GLU 37 9.382 -53.783 0.528 1.00 11.02 ATOM 599 HA GLU 37 8.700 -54.430 -0.011 1.00 5.23 ATOM 600 CB GLU 37 10.403 -54.636 1.284 1.00 44.44 ATOM 601 HB1 GLU 37 10.031 -54.835 2.284 1.00 37.35 ATOM 602 HB2 GLU 37 11.317 -54.099 1.364 1.00 3.03 ATOM 603 CG GLU 37 10.700 -55.966 0.613 1.00 64.31 ATOM 604 HG1 GLU 37 11.565 -55.855 -0.012 1.00 37.35 ATOM 605 HG2 GLU 37 9.857 -56.262 0.001 1.00 53.42 ATOM 606 CD GLU 37 10.961 -57.078 1.611 1.00 11.53 ATOM 607 OE1 GLU 37 10.056 -57.375 2.418 1.00 33.13 ATOM 608 OE2 GLU 37 12.071 -57.650 1.585 1.00 53.31 ATOM 609 C GLU 37 8.566 -52.953 1.515 1.00 23.05 ATOM 610 O GLU 37 7.379 -53.203 1.721 1.00 35.23 ATOM 611 N PHE 38 9.213 -51.964 2.124 1.00 21.51 ATOM 612 HN PHE 38 10.163 -51.807 1.912 1.00 37.35 ATOM 613 CA PHE 38 8.549 -51.098 3.091 1.00 4.02 ATOM 614 HA PHE 38 8.091 -51.722 3.848 1.00 3.21 ATOM 615 CB PHE 38 9.568 -50.177 3.766 1.00 21.44 ATOM 616 HB1 PHE 38 10.117 -49.674 2.989 1.00 37.35 ATOM 617 HB2 PHE 38 10.254 -50.775 4.352 1.00 75.03 ATOM 618 CG PHE 38 8.943 -49.142 4.657 1.00 73.11 ATOM 619 CD1 PHE 38 8.538 -47.920 4.143 1.00 25.44 ATOM 620 HD1 PHE 38 8.677 -47.714 3.095 1.00 54.11 ATOM 621 CD2 PHE 38 8.760 -49.391 6.008 1.00 54.43 ATOM 622 HD2 PHE 38 9.070 -50.340 6.424 1.00 23.24 ATOM 623 CE1 PHE 38 7.962 -46.966 4.960 1.00 2.41 ATOM 624 HE1 PHE 38 7.651 -46.018 4.548 1.00 63.33 ATOM 625 CE2 PHE 38 8.184 -48.440 6.829 1.00 14.10 ATOM 626 HE2 PHE 38 8.043 -48.649 7.875 1.00 32.43 ATOM 627 CZ PHE 38 7.786 -47.226 6.305 1.00 54.51 ATOM 628 HZ PHE 38 7.336 -46.482 6.945 1.00 61.35 ATOM 629 C PHE 38 7.462 -50.265 2.419 1.00 72.32 ATOM 630 O PHE 38 6.340 -50.169 2.918 1.00 74.43 ATOM 631 N LEU 39 7.802 -49.664 1.284 1.00 21.11 ATOM 632 HN LEU 39 8.719 -49.772 0.935 1.00 37.35 ATOM 633 CA LEU 39 6.856 -48.838 0.542 1.00 32.31 ATOM 634 HA LEU 39 6.523 -48.042 1.188 1.00 53.43 ATOM 635 CB LEU 39 7.529 -48.245 -0.697 1.00 12.54 ATOM 636 HB1 LEU 39 6.772 -47.732 -1.281 1.00 37.35 ATOM 637 HB2 LEU 39 7.920 -49.062 -1.289 1.00 54.21 ATOM 638 CG LEU 39 8.669 -47.261 -0.434 1.00 45.40 ATOM 639 HG LEU 39 9.495 -47.787 0.016 1.00 42.32 ATOM 640 CD1 LEU 39 9.159 -46.650 -1.738 1.00 73.12 ATOM 641 HD11 LEU 39 9.836 -45.849 -1.514 1.00 33.15 ATOM 642 HD12 LEU 39 8.321 -46.266 -2.303 1.00 3.24 ATOM 643 HD13 LEU 39 9.671 -47.403 -2.319 1.00 34.21 ATOM 644 CD2 LEU 39 8.224 -46.173 0.532 1.00 14.31 ATOM 645 HD21 LEU 39 7.344 -45.678 0.145 1.00 1.22 ATOM 646 HD22 LEU 39 9.017 -45.446 0.649 1.00 40.43 ATOM 647 HD23 LEU 39 8.002 -46.599 1.492 1.00 73.00 ATOM 648 C LEU 39 5.632 -49.650 0.130 1.00 54.40 ATOM 649 O LEU 39 4.500 -49.297 0.462 1.00 11.44 ATOM 650 N ASP 40 5.866 -50.739 -0.594 1.00 3.44 ATOM 651 HN ASP 40 6.797 -50.968 -0.832 1.00 37.35 ATOM 652 CA ASP 40 4.783 -51.603 -1.048 1.00 40.44 ATOM 653 HA ASP 40 4.161 -51.024 -1.718 1.00 61.42 ATOM 654 CB ASP 40 5.346 -52.809 -1.801 1.00 41.14 ATOM 655 HB1 ASP 40 5.851 -53.471 -1.110 1.00 37.35 ATOM 656 HB2 ASP 40 6.052 -52.460 -2.539 1.00 33.22 ATOM 657 CG ASP 40 4.270 -53.593 -2.525 1.00 74.44 ATOM 658 OD1 ASP 40 4.485 -54.796 -2.785 1.00 73.03 ATOM 659 OD2 ASP 40 3.212 -53.005 -2.831 1.00 73.05 ATOM 660 C ASP 40 3.933 -52.073 0.128 1.00 51.03 ATOM 661 O ASP 40 2.709 -51.939 0.115 1.00 61.35 ATOM 662 N ASP 41 4.589 -52.625 1.142 1.00 4.32 ATOM 663 HN ASP 41 5.572 -52.707 1.093 1.00 37.35 ATOM 664 CA ASP 41 3.894 -53.115 2.326 1.00 21.35 ATOM 665 HA ASP 41 3.213 -53.898 2.016 1.00 1.40 ATOM 666 CB ASP 41 4.895 -53.687 3.331 1.00 21.54 ATOM 667 HB1 ASP 41 4.414 -53.803 4.295 1.00 37.35 ATOM 668 HB2 ASP 41 5.726 -53.009 3.435 1.00 30.02 ATOM 669 CG ASP 41 5.424 -55.045 2.913 1.00 62.14 ATOM 670 OD1 ASP 41 5.743 -55.858 3.805 1.00 62.01 ATOM 671 OD2 ASP 41 5.520 -55.294 1.692 1.00 20.34 ATOM 672 C ASP 41 3.080 -52.002 2.979 1.00 74.45 ATOM 673 O ASP 41 1.942 -52.216 3.400 1.00 22.23 ATOM 674 N LEU 42 3.669 -50.815 3.059 1.00 52.51 ATOM 675 HN LEU 42 4.585 -50.703 2.711 1.00 37.35 ATOM 676 CA LEU 42 2.998 -49.667 3.661 1.00 65.12 ATOM 677 HA LEU 42 2.683 -49.943 4.659 1.00 31.45 ATOM 678 CB LEU 42 3.962 -48.483 3.761 1.00 60.24 ATOM 679 HB1 LEU 42 4.428 -48.370 2.789 1.00 37.35 ATOM 680 HB2 LEU 42 4.739 -48.747 4.469 1.00 21.22 ATOM 681 CG LEU 42 3.342 -47.146 4.166 1.00 0.44 ATOM 682 HG LEU 42 2.288 -47.151 3.987 1.00 74.22 ATOM 683 CD1 LEU 42 3.533 -46.898 5.655 1.00 70.43 ATOM 684 HD11 LEU 42 2.977 -46.022 5.945 1.00 5.22 ATOM 685 HD12 LEU 42 4.582 -46.750 5.873 1.00 45.31 ATOM 686 HD13 LEU 42 3.169 -47.749 6.216 1.00 14.34 ATOM 687 CD2 LEU 42 3.946 -46.010 3.353 1.00 14.44 ATOM 688 HD21 LEU 42 3.772 -46.183 2.303 1.00 70.21 ATOM 689 HD22 LEU 42 5.010 -45.955 3.536 1.00 64.42 ATOM 690 HD23 LEU 42 3.485 -45.074 3.640 1.00 30.25 ATOM 691 C LEU 42 1.768 -49.269 2.852 1.00 61.32 ATOM 692 O LEU 42 0.674 -49.123 3.397 1.00 20.34 ATOM 693 N PHE 43 1.954 -49.097 1.547 1.00 23.33 ATOM 694 HN PHE 43 2.847 -49.258 1.165 1.00 37.35 ATOM 695 CA PHE 43 0.859 -48.718 0.662 1.00 2.43 ATOM 696 HA PHE 43 0.532 -47.733 0.935 1.00 74.31 ATOM 697 CB PHE 43 1.333 -48.704 -0.793 1.00 13.54 ATOM 698 HB1 PHE 43 0.478 -48.816 -1.454 1.00 37.35 ATOM 699 HB2 PHE 43 2.008 -49.533 -0.954 1.00 50.44 ATOM 700 CG PHE 43 2.057 -47.445 -1.175 1.00 40.41 ATOM 701 CD1 PHE 43 3.018 -46.901 -0.338 1.00 14.41 ATOM 702 HD1 PHE 43 3.251 -47.364 0.593 1.00 22.53 ATOM 703 CD2 PHE 43 1.777 -46.805 -2.372 1.00 12.22 ATOM 704 HD2 PHE 43 1.031 -47.218 -3.037 1.00 75.34 ATOM 705 CE1 PHE 43 3.686 -45.742 -0.687 1.00 23.30 ATOM 706 HE1 PHE 43 4.433 -45.328 -0.025 1.00 3.14 ATOM 707 CE2 PHE 43 2.443 -45.647 -2.726 1.00 55.34 ATOM 708 HE2 PHE 43 2.215 -45.157 -3.661 1.00 33.24 ATOM 709 CZ PHE 43 3.397 -45.114 -1.882 1.00 65.15 ATOM 710 HZ PHE 43 3.917 -44.208 -2.157 1.00 41.45 ATOM 711 C PHE 43 -0.320 -49.673 0.816 1.00 74.32 ATOM 712 O PHE 43 -1.461 -49.245 0.992 1.00 20.34 ATOM 713 N SER 44 -0.037 -50.970 0.746 1.00 3.05 ATOM 714 HN SER 44 0.898 -51.253 0.605 1.00 37.35 ATOM 715 CA SER 44 -1.074 -51.987 0.873 1.00 22.21 ATOM 716 HA SER 44 -1.838 -51.786 0.133 1.00 43.44 ATOM 717 CB SER 44 -0.490 -53.377 0.610 1.00 41.42 ATOM 718 HB1 SER 44 -1.168 -54.140 0.975 1.00 37.35 ATOM 719 HB2 SER 44 0.459 -53.471 1.118 1.00 72.01 ATOM 720 OG SER 44 -0.285 -53.589 -0.776 1.00 64.21 ATOM 721 HG SER 44 -1.117 -53.829 -1.193 1.00 74.31 ATOM 722 C SER 44 -1.710 -51.945 2.259 1.00 1.22 ATOM 723 O SER 44 -2.919 -52.125 2.406 1.00 60.42 ATOM 724 N PHE 45 -0.886 -51.705 3.274 1.00 13.11 ATOM 725 HN PHE 45 0.077 -51.580 3.101 1.00 37.35 ATOM 726 CA PHE 45 -1.367 -51.640 4.649 1.00 3.54 ATOM 727 HA PHE 45 -1.871 -52.568 4.876 1.00 41.43 ATOM 728 CB PHE 45 -0.192 -51.473 5.615 1.00 4.41 ATOM 729 HB1 PHE 45 0.462 -50.697 5.244 1.00 37.35 ATOM 730 HB2 PHE 45 0.362 -52.403 5.653 1.00 22.24 ATOM 731 CG PHE 45 -0.610 -51.117 7.013 1.00 33.41 ATOM 732 CD1 PHE 45 -1.030 -52.100 7.896 1.00 40.45 ATOM 733 HD1 PHE 45 -1.055 -53.132 7.574 1.00 22.14 ATOM 734 CD2 PHE 45 -0.585 -49.801 7.445 1.00 41.14 ATOM 735 HD2 PHE 45 -0.260 -49.022 6.769 1.00 30.44 ATOM 736 CE1 PHE 45 -1.416 -51.776 9.183 1.00 64.21 ATOM 737 HE1 PHE 45 -1.756 -52.547 9.830 1.00 12.11 ATOM 738 CE2 PHE 45 -0.969 -49.472 8.731 1.00 41.53 ATOM 739 HE2 PHE 45 -0.949 -48.455 9.033 1.00 51.22 ATOM 740 CZ PHE 45 -1.386 -50.460 9.601 1.00 60.25 ATOM 741 HZ PHE 45 -1.698 -50.199 10.593 1.00 72.41 ATOM 742 C PHE 45 -2.353 -50.489 4.827 1.00 42.31 ATOM 743 O PHE 45 -3.504 -50.697 5.209 1.00 22.22 ATOM 744 N MET 46 -1.892 -49.274 4.547 1.00 70.02 ATOM 745 HN MET 46 -0.953 -49.174 4.265 1.00 37.35 ATOM 746 CA MET 46 -2.733 -48.090 4.675 1.00 53.32 ATOM 747 HA MET 46 -3.068 -48.046 5.683 1.00 52.42 ATOM 748 CB MET 46 -1.921 -46.827 4.382 1.00 1.22 ATOM 749 HB1 MET 46 -1.116 -46.782 5.103 1.00 37.35 ATOM 750 HB2 MET 46 -2.546 -45.965 4.516 1.00 42.04 ATOM 751 CG MET 46 -1.325 -46.798 2.984 1.00 53.21 ATOM 752 HG1 MET 46 -2.067 -46.415 2.311 1.00 37.35 ATOM 753 HG2 MET 46 -1.052 -47.782 2.682 1.00 62.11 ATOM 754 SD MET 46 0.134 -45.745 2.872 1.00 1.33 ATOM 755 CE MET 46 -0.542 -44.172 3.399 1.00 32.00 ATOM 756 HE1 MET 46 -1.585 -44.258 3.632 1.00 2.12 ATOM 757 HE2 MET 46 -0.415 -43.448 2.622 1.00 23.21 ATOM 758 HE3 MET 46 -0.013 -43.854 4.265 1.00 13.14 ATOM 759 C MET 46 -3.930 -48.168 3.732 1.00 21.41 ATOM 760 O MET 46 -4.992 -47.617 4.017 1.00 13.41 ATOM 761 N GLN 47 -3.749 -48.857 2.610 1.00 52.02 ATOM 762 HN GLN 47 -2.873 -49.264 2.419 1.00 37.35 ATOM 763 CA GLN 47 -4.815 -49.006 1.626 1.00 63.04 ATOM 764 HA GLN 47 -5.223 -48.025 1.414 1.00 33.42 ATOM 765 CB GLN 47 -4.260 -49.595 0.327 1.00 2.43 ATOM 766 HB1 GLN 47 -3.691 -50.483 0.562 1.00 37.35 ATOM 767 HB2 GLN 47 -3.601 -48.863 -0.120 1.00 40.23 ATOM 768 CG GLN 47 -5.336 -49.969 -0.680 1.00 5.15 ATOM 769 HG1 GLN 47 -6.178 -49.294 -0.578 1.00 37.35 ATOM 770 HG2 GLN 47 -5.663 -50.977 -0.473 1.00 34.53 ATOM 771 CD GLN 47 -4.840 -49.913 -2.111 1.00 63.41 ATOM 772 OE1 GLN 47 -4.245 -50.868 -2.612 1.00 21.23 ATOM 773 NE2 GLN 47 -5.083 -48.792 -2.779 1.00 3.41 ATOM 774 HE21 GLN 47 -5.570 -48.067 -2.336 1.00 41.13 ATOM 775 HE22 GLN 47 -4.760 -48.734 -3.703 1.00 63.14 ATOM 776 C GLN 47 -5.932 -49.894 2.163 1.00 12.44 ATOM 777 O GLN 47 -7.094 -49.748 1.782 1.00 63.05 ATOM 778 N LYS 48 -5.574 -50.814 3.052 1.00 31.20 ATOM 779 HN LYS 48 -4.630 -50.899 3.316 1.00 37.35 ATOM 780 CA LYS 48 -6.546 -51.726 3.644 1.00 1.20 ATOM 781 HA LYS 48 -7.181 -52.111 2.853 1.00 62.33 ATOM 782 CB LYS 48 -5.831 -52.896 4.324 1.00 44.53 ATOM 783 HB1 LYS 48 -6.511 -53.375 5.019 1.00 37.35 ATOM 784 HB2 LYS 48 -4.992 -52.512 4.879 1.00 14.24 ATOM 785 CG LYS 48 -5.348 -53.960 3.354 1.00 52.05 ATOM 786 HG1 LYS 48 -5.130 -53.498 2.396 1.00 37.35 ATOM 787 HG2 LYS 48 -6.129 -54.695 3.229 1.00 22.35 ATOM 788 CD LYS 48 -4.099 -54.657 3.867 1.00 75.44 ATOM 789 HD1 LYS 48 -4.386 -55.386 4.610 1.00 37.35 ATOM 790 HD2 LYS 48 -3.433 -53.932 4.311 1.00 44.12 ATOM 791 CE LYS 48 -3.356 -55.366 2.745 1.00 50.14 ATOM 792 HE1 LYS 48 -3.264 -54.697 1.898 1.00 37.35 ATOM 793 HE2 LYS 48 -3.920 -56.239 2.452 1.00 41.10 ATOM 794 NZ LYS 48 -1.992 -55.792 3.165 1.00 14.32 ATOM 795 HZ1 LYS 48 -2.050 -56.450 3.971 1.00 65.20 ATOM 796 HZ2 LYS 48 -1.425 -54.966 3.446 1.00 74.21 ATOM 797 HZ3 LYS 48 -1.512 -56.272 2.377 1.00 73.33 ATOM 798 C LYS 48 -7.428 -50.999 4.654 1.00 32.43 ATOM 799 O LYS 48 -8.647 -51.172 4.666 1.00 60.54 ATOM 800 N ARG 49 -6.805 -50.186 5.500 1.00 2.51 ATOM 801 HN ARG 49 -5.828 -50.132 5.460 1.00 37.35 ATOM 802 CA ARG 49 -7.534 -49.433 6.514 1.00 41.23 ATOM 803 HA ARG 49 -8.132 -50.129 7.089 1.00 1.43 ATOM 804 CB ARG 49 -6.557 -48.730 7.458 1.00 13.22 ATOM 805 HB1 ARG 49 -6.097 -49.475 8.091 1.00 37.35 ATOM 806 HB2 ARG 49 -7.118 -48.046 8.072 1.00 53.52 ATOM 807 CG ARG 49 -5.457 -47.967 6.739 1.00 11.40 ATOM 808 HG1 ARG 49 -5.910 -47.296 6.049 1.00 37.35 ATOM 809 HG2 ARG 49 -4.848 -48.675 6.223 1.00 44.20 ATOM 810 CD ARG 49 -4.581 -47.199 7.717 1.00 64.44 ATOM 811 HD1 ARG 49 -3.812 -46.700 7.146 1.00 37.35 ATOM 812 HD2 ARG 49 -4.106 -47.889 8.396 1.00 0.41 ATOM 813 NE ARG 49 -5.334 -46.182 8.444 1.00 3.45 ATOM 814 HE ARG 49 -5.397 -45.293 8.053 1.00 2.15 ATOM 815 CZ ARG 49 -5.913 -46.397 9.620 1.00 12.33 ATOM 816 NH1 ARG 49 -5.826 -47.587 10.198 1.00 1.33 ATOM 817 HH11 ARG 49 -5.330 -48.340 9.784 1.00 73.23 ATOM 818 HH12 ARG 49 -6.274 -47.736 11.082 1.00 11.33 ATOM 819 NH2 ARG 49 -6.581 -45.420 10.221 1.00 53.04 ATOM 820 HH21 ARG 49 -6.651 -44.518 9.790 1.00 30.51 ATOM 821 HH22 ARG 49 -7.019 -45.580 11.108 1.00 11.22 ATOM 822 C ARG 49 -8.461 -48.407 5.867 1.00 24.24 ATOM 823 O ARG 49 -9.441 -47.974 6.471 1.00 74.41 ATOM 824 N GLY 50 -8.142 -48.022 4.635 1.00 25.14 ATOM 825 HN GLY 50 -7.337 -48.364 4.195 1.00 37.35 ATOM 826 CA GLY 50 -8.954 -47.050 3.928 1.00 35.01 ATOM 827 HA1 GLY 50 -9.899 -46.896 4.435 1.00 37.35 ATOM 828 HA2 GLY 50 -9.158 -47.435 2.940 1.00 63.32 ATOM 829 C GLY 50 -8.260 -45.711 3.780 1.00 2.14 ATOM 830 O GLY 50 -8.870 -44.660 3.982 1.00 61.22 ATOM 831 N THR 51 -6.978 -45.746 3.429 1.00 31.21 ATOM 832 HN THR 51 -6.539 -46.614 3.274 1.00 37.35 ATOM 833 CA THR 51 -6.199 -44.527 3.258 1.00 43.34 ATOM 834 HA THR 51 -6.791 -43.812 2.699 1.00 50.23 ATOM 835 CB THR 51 -5.854 -43.885 4.615 1.00 52.33 ATOM 836 HB THR 51 -6.771 -43.553 5.082 1.00 33.30 ATOM 837 OG1 THR 51 -4.993 -42.758 4.419 1.00 42.31 ATOM 838 HG1 THR 51 -5.086 -42.148 5.156 1.00 3.42 ATOM 839 CG2 THR 51 -5.179 -44.892 5.534 1.00 53.41 ATOM 840 HG21 THR 51 -4.585 -45.598 4.995 1.00 5.15 ATOM 841 HG22 THR 51 -5.947 -45.406 6.070 1.00 14.43 ATOM 842 HG23 THR 51 -4.553 -44.363 6.239 1.00 72.33 ATOM 843 C THR 51 -4.907 -44.802 2.496 1.00 32.11 ATOM 844 O THR 51 -3.808 -44.737 3.046 1.00 3.33 ATOM 845 N PRO 52 -5.040 -45.117 1.199 1.00 22.31 ATOM 846 CA PRO 52 -3.893 -45.408 0.334 1.00 43.32 ATOM 847 HA PRO 52 -3.267 -46.178 0.749 1.00 2.51 ATOM 848 CB PRO 52 -4.541 -45.924 -0.953 1.00 40.53 ATOM 849 HB1 PRO 52 -4.603 -46.997 -0.900 1.00 37.35 ATOM 850 HB2 PRO 52 -3.975 -45.641 -1.830 1.00 1.51 ATOM 851 CG PRO 52 -5.900 -45.314 -0.963 1.00 75.32 ATOM 852 HG1 PRO 52 -6.583 -45.948 -1.509 1.00 37.35 ATOM 853 HG2 PRO 52 -5.858 -44.332 -1.411 1.00 70.34 ATOM 854 CD PRO 52 -6.320 -45.214 0.477 1.00 3.24 ATOM 855 HD1 PRO 52 -6.866 -46.098 0.774 1.00 37.35 ATOM 856 HD2 PRO 52 -6.920 -44.330 0.625 1.00 20.41 ATOM 857 C PRO 52 -3.054 -44.167 0.048 1.00 63.05 ATOM 858 O PRO 52 -3.258 -43.114 0.652 1.00 60.12 ATOM 859 N VAL 53 -2.109 -44.298 -0.878 1.00 42.13 ATOM 860 HN VAL 53 -1.974 -45.167 -1.323 1.00 37.35 ATOM 861 CA VAL 53 -1.240 -43.187 -1.246 1.00 4.51 ATOM 862 HA VAL 53 -1.263 -42.440 -0.457 1.00 31.02 ATOM 863 CB VAL 53 0.221 -43.647 -1.411 1.00 31.02 ATOM 864 HB VAL 53 0.248 -44.386 -2.193 1.00 20.24 ATOM 865 CG1 VAL 53 1.106 -42.479 -1.818 1.00 64.32 ATOM 866 HG11 VAL 53 2.145 -42.722 -1.648 1.00 21.54 ATOM 867 HG12 VAL 53 0.854 -41.602 -1.237 1.00 70.43 ATOM 868 HG13 VAL 53 0.972 -42.263 -2.865 1.00 22.50 ATOM 869 CG2 VAL 53 0.726 -44.287 -0.126 1.00 54.32 ATOM 870 HG21 VAL 53 0.202 -43.867 0.712 1.00 12.20 ATOM 871 HG22 VAL 53 1.777 -44.100 0.005 1.00 64.45 ATOM 872 HG23 VAL 53 0.549 -45.351 -0.160 1.00 23.53 ATOM 873 C VAL 53 -1.704 -42.531 -2.542 1.00 23.21 ATOM 874 O VAL 53 -1.149 -42.784 -3.610 1.00 43.23 ATOM 875 N ASN 54 -2.726 -41.688 -2.439 1.00 5.50 ATOM 876 HN ASN 54 -3.132 -41.529 -1.553 1.00 37.35 ATOM 877 CA ASN 54 -3.265 -40.995 -3.604 1.00 31.04 ATOM 878 HA ASN 54 -3.684 -41.736 -4.270 1.00 1.30 ATOM 879 CB ASN 54 -4.373 -40.028 -3.180 1.00 61.41 ATOM 880 HB1 ASN 54 -3.988 -39.368 -2.415 1.00 37.35 ATOM 881 HB2 ASN 54 -5.201 -40.594 -2.778 1.00 10.44 ATOM 882 CG ASN 54 -4.883 -39.191 -4.337 1.00 71.10 ATOM 883 OD1 ASN 54 -4.935 -39.654 -5.477 1.00 14.42 ATOM 884 ND2 ASN 54 -5.262 -37.952 -4.048 1.00 52.42 ATOM 885 HD21 ASN 54 -5.198 -37.636 -3.118 1.00 5.31 ATOM 886 HD22 ASN 54 -5.595 -37.394 -4.782 1.00 42.32 ATOM 887 C ASN 54 -2.167 -40.236 -4.342 1.00 51.30 ATOM 888 O ASN 54 -2.061 -40.312 -5.566 1.00 53.42 ATOM 889 N ARG 55 -1.352 -39.504 -3.589 1.00 62.51 ATOM 890 HN ARG 55 -1.496 -39.462 -2.614 1.00 37.35 ATOM 891 CA ARG 55 -0.262 -38.731 -4.172 1.00 11.22 ATOM 892 HA ARG 55 0.094 -39.240 -5.060 1.00 71.31 ATOM 893 CB ARG 55 -0.753 -37.337 -4.567 1.00 45.31 ATOM 894 HB1 ARG 55 -1.450 -37.440 -5.386 1.00 37.35 ATOM 895 HB2 ARG 55 0.093 -36.748 -4.904 1.00 13.33 ATOM 896 CG ARG 55 -1.456 -36.596 -3.441 1.00 63.52 ATOM 897 HG1 ARG 55 -0.897 -36.713 -2.522 1.00 37.35 ATOM 898 HG2 ARG 55 -2.445 -37.010 -3.315 1.00 12.22 ATOM 899 CD ARG 55 -1.583 -35.112 -3.745 1.00 3.23 ATOM 900 HD1 ARG 55 -2.309 -34.980 -4.533 1.00 37.35 ATOM 901 HD2 ARG 55 -0.621 -34.736 -4.074 1.00 51.35 ATOM 902 NE ARG 55 -2.009 -34.349 -2.575 1.00 13.41 ATOM 903 HE ARG 55 -2.245 -34.848 -1.758 1.00 42.20 ATOM 904 CZ ARG 55 -2.096 -33.023 -2.554 1.00 32.22 ATOM 905 NH1 ARG 55 -1.788 -32.318 -3.633 1.00 70.15 ATOM 906 HH11 ARG 55 -1.488 -32.761 -4.476 1.00 51.40 ATOM 907 HH12 ARG 55 -1.856 -31.318 -3.608 1.00 75.23 ATOM 908 NH2 ARG 55 -2.492 -32.401 -1.451 1.00 55.41 ATOM 909 HH21 ARG 55 -2.726 -32.928 -0.632 1.00 42.23 ATOM 910 HH22 ARG 55 -2.558 -31.401 -1.432 1.00 74.31 ATOM 911 C ARG 55 0.904 -38.613 -3.195 1.00 22.41 ATOM 912 O ARG 55 0.772 -38.936 -2.014 1.00 23.10 ATOM 913 N ILE 56 2.044 -38.150 -3.696 1.00 24.21 ATOM 914 HN ILE 56 2.096 -37.902 -4.648 1.00 37.35 ATOM 915 CA ILE 56 3.233 -37.990 -2.867 1.00 51.05 ATOM 916 HA ILE 56 3.035 -38.456 -1.913 1.00 53.00 ATOM 917 CB ILE 56 4.450 -38.704 -3.485 1.00 32.55 ATOM 918 HB ILE 56 4.669 -38.242 -4.439 1.00 50.20 ATOM 919 CG1 ILE 56 4.139 -40.186 -3.708 1.00 45.13 ATOM 920 HG11 ILE 56 3.232 -40.283 -4.289 1.00 37.35 ATOM 921 HG12 ILE 56 4.000 -40.673 -2.754 1.00 34.53 ATOM 922 CG2 ILE 56 5.669 -38.542 -2.589 1.00 62.53 ATOM 923 HG21 ILE 56 5.499 -39.043 -1.649 1.00 64.40 ATOM 924 HG22 ILE 56 5.878 -37.499 -2.410 1.00 21.33 ATOM 925 HG23 ILE 56 6.524 -38.983 -3.067 1.00 75.24 ATOM 926 CD1 ILE 56 5.229 -40.926 -4.452 1.00 24.05 ATOM 927 HD11 ILE 56 6.180 -40.754 -3.994 1.00 13.04 ATOM 928 HD12 ILE 56 5.259 -40.582 -5.474 1.00 53.44 ATOM 929 HD13 ILE 56 5.012 -41.983 -4.440 1.00 33.01 ATOM 930 C ILE 56 3.570 -36.516 -2.669 1.00 31.13 ATOM 931 O ILE 56 3.590 -35.726 -3.612 1.00 51.53 ATOM 932 N PRO 57 3.843 -36.136 -1.412 1.00 1.12 ATOM 933 CA PRO 57 4.187 -34.755 -1.059 1.00 71.24 ATOM 934 HA PRO 57 3.437 -34.060 -1.416 1.00 53.40 ATOM 935 CB PRO 57 4.183 -34.768 0.471 1.00 21.22 ATOM 936 HB1 PRO 57 3.214 -34.466 0.817 1.00 37.35 ATOM 937 HB2 PRO 57 4.934 -34.094 0.867 1.00 32.03 ATOM 938 CG PRO 57 4.466 -36.184 0.839 1.00 45.13 ATOM 939 HG1 PRO 57 4.023 -36.411 1.797 1.00 37.35 ATOM 940 HG2 PRO 57 5.527 -36.349 0.869 1.00 33.01 ATOM 941 CD PRO 57 3.838 -37.025 -0.238 1.00 10.12 ATOM 942 HD1 PRO 57 2.828 -37.292 0.037 1.00 37.35 ATOM 943 HD2 PRO 57 4.425 -37.903 -0.394 1.00 0.33 ATOM 944 C PRO 57 5.559 -34.347 -1.585 1.00 71.22 ATOM 945 O PRO 57 6.485 -35.157 -1.623 1.00 63.41 ATOM 946 N ILE 58 5.682 -33.087 -1.989 1.00 71.42 ATOM 947 HN ILE 58 4.910 -32.479 -1.940 1.00 37.35 ATOM 948 CA ILE 58 6.942 -32.573 -2.511 1.00 53.42 ATOM 949 HA ILE 58 7.686 -33.362 -2.488 1.00 44.44 ATOM 950 CB ILE 58 6.795 -32.098 -3.969 1.00 63.41 ATOM 951 HB ILE 58 6.056 -31.309 -4.000 1.00 2.53 ATOM 952 CG1 ILE 58 6.327 -33.252 -4.859 1.00 1.21 ATOM 953 HG11 ILE 58 6.263 -32.908 -5.880 1.00 37.35 ATOM 954 HG12 ILE 58 5.351 -33.579 -4.533 1.00 30.14 ATOM 955 CG2 ILE 58 8.113 -31.532 -4.477 1.00 12.23 ATOM 956 HG21 ILE 58 8.310 -30.582 -4.004 1.00 72.22 ATOM 957 HG22 ILE 58 8.058 -31.381 -5.548 1.00 63.54 ATOM 958 HG23 ILE 58 8.918 -32.213 -4.258 1.00 50.52 ATOM 959 CD1 ILE 58 7.250 -34.450 -4.830 1.00 71.03 ATOM 960 HD11 ILE 58 6.983 -35.118 -5.635 1.00 41.12 ATOM 961 HD12 ILE 58 7.132 -34.966 -3.897 1.00 15.31 ATOM 962 HD13 ILE 58 8.278 -34.146 -4.950 1.00 0.43 ATOM 963 C ILE 58 7.457 -31.416 -1.662 1.00 0.14 ATOM 964 O ILE 58 6.864 -30.338 -1.638 1.00 2.31 ATOM 965 N MET 59 8.566 -31.648 -0.966 1.00 52.44 ATOM 966 HN MET 59 9.007 -32.527 -1.022 1.00 37.35 ATOM 967 CA MET 59 9.163 -30.623 -0.117 1.00 61.35 ATOM 968 HA MET 59 8.504 -29.760 -0.091 1.00 41.34 ATOM 969 CB MET 59 9.328 -31.147 1.311 1.00 52.53 ATOM 970 HB1 MET 59 10.140 -31.864 1.333 1.00 37.35 ATOM 971 HB2 MET 59 8.419 -31.658 1.603 1.00 13.41 ATOM 972 CG MET 59 9.637 -30.057 2.325 1.00 31.40 ATOM 973 HG1 MET 59 10.241 -29.288 1.871 1.00 37.35 ATOM 974 HG2 MET 59 10.198 -30.500 3.134 1.00 20.34 ATOM 975 SD MET 59 8.149 -29.292 2.997 1.00 2.13 ATOM 976 CE MET 59 8.075 -30.058 4.615 1.00 64.15 ATOM 977 HE1 MET 59 8.553 -31.026 4.585 1.00 61.33 ATOM 978 HE2 MET 59 7.049 -30.183 4.907 1.00 65.01 ATOM 979 HE3 MET 59 8.580 -29.430 5.334 1.00 64.22 ATOM 980 C MET 59 10.515 -30.181 -0.668 1.00 60.15 ATOM 981 O MET 59 11.276 -30.992 -1.196 1.00 53.45 ATOM 982 N ALA 60 10.807 -28.891 -0.542 1.00 42.30 ATOM 983 HN ALA 60 10.164 -28.282 -0.113 1.00 37.35 ATOM 984 CA ALA 60 12.068 -28.342 -1.026 1.00 11.01 ATOM 985 HA ALA 60 12.033 -27.269 -0.903 1.00 11.12 ATOM 986 CB ALA 60 13.228 -28.876 -0.199 1.00 11.13 ATOM 987 HB1 ALA 60 14.129 -28.335 -0.447 1.00 15.15 ATOM 988 HB2 ALA 60 13.371 -29.930 -0.398 1.00 61.25 ATOM 989 HB3 ALA 60 13.000 -28.739 0.844 1.00 24.25 ATOM 990 C ALA 60 12.276 -28.663 -2.502 1.00 21.41 ATOM 991 O ALA 60 13.404 -28.874 -2.949 1.00 74.33 ATOM 992 N LYS 61 11.182 -28.700 -3.255 1.00 32.34 ATOM 993 HN LYS 61 10.303 -28.505 -2.863 1.00 37.35 ATOM 994 CA LYS 61 11.243 -28.996 -4.681 1.00 44.42 ATOM 995 HA LYS 61 10.247 -28.895 -5.084 1.00 61.51 ATOM 996 CB LYS 61 12.169 -28.004 -5.389 1.00 3.42 ATOM 997 HB1 LYS 61 12.001 -28.077 -6.454 1.00 37.35 ATOM 998 HB2 LYS 61 13.201 -28.254 -5.186 1.00 14.34 ATOM 999 CG LYS 61 11.946 -26.560 -4.973 1.00 30.05 ATOM 1000 HG1 LYS 61 12.672 -25.955 -5.497 1.00 37.35 ATOM 1001 HG2 LYS 61 12.102 -26.455 -3.912 1.00 4.32 ATOM 1002 CD LYS 61 10.542 -26.092 -5.315 1.00 52.45 ATOM 1003 HD1 LYS 61 9.931 -26.156 -4.426 1.00 37.35 ATOM 1004 HD2 LYS 61 10.119 -26.727 -6.085 1.00 75.55 ATOM 1005 CE LYS 61 10.541 -24.658 -5.824 1.00 20.03 ATOM 1006 HE1 LYS 61 10.037 -24.637 -6.779 1.00 37.35 ATOM 1007 HE2 LYS 61 11.552 -24.296 -5.952 1.00 14.12 ATOM 1008 NZ LYS 61 9.824 -23.741 -4.895 1.00 4.30 ATOM 1009 HZ1 LYS 61 10.281 -23.744 -3.959 1.00 74.22 ATOM 1010 HZ2 LYS 61 8.832 -24.038 -4.786 1.00 71.12 ATOM 1011 HZ3 LYS 61 9.841 -22.771 -5.271 1.00 73.23 ATOM 1012 C LYS 61 11.730 -30.421 -4.921 1.00 71.31 ATOM 1013 O LYS 61 12.222 -30.744 -6.002 1.00 25.34 ATOM 1014 N GLN 62 11.587 -31.269 -3.908 1.00 31.05 ATOM 1015 HN GLN 62 11.153 -30.984 -3.085 1.00 37.35 ATOM 1016 CA GLN 62 12.012 -32.660 -4.010 1.00 74.11 ATOM 1017 HA GLN 62 12.023 -32.948 -5.056 1.00 34.13 ATOM 1018 CB GLN 62 13.423 -32.828 -3.445 1.00 11.45 ATOM 1019 HB1 GLN 62 13.950 -31.885 -3.526 1.00 37.35 ATOM 1020 HB2 GLN 62 13.943 -33.569 -4.036 1.00 3.22 ATOM 1021 CG GLN 62 13.447 -33.282 -1.994 1.00 62.42 ATOM 1022 HG1 GLN 62 13.267 -34.347 -1.959 1.00 37.35 ATOM 1023 HG2 GLN 62 12.683 -32.771 -1.436 1.00 24.14 ATOM 1024 CD GLN 62 14.769 -32.990 -1.313 1.00 4.02 ATOM 1025 OE1 GLN 62 15.069 -31.843 -0.979 1.00 72.11 ATOM 1026 NE2 GLN 62 15.570 -34.029 -1.102 1.00 54.52 ATOM 1027 HE21 GLN 62 15.282 -34.925 -1.389 1.00 32.40 ATOM 1028 HE22 GLN 62 16.429 -33.859 -0.662 1.00 74.25 ATOM 1029 C GLN 62 11.044 -33.580 -3.274 1.00 35.50 ATOM 1030 O GLN 62 10.417 -33.182 -2.292 1.00 21.11 ATOM 1031 N VAL 63 10.925 -34.814 -3.755 1.00 45.14 ATOM 1032 HN VAL 63 11.427 -35.055 -4.567 1.00 37.35 ATOM 1033 CA VAL 63 10.034 -35.792 -3.143 1.00 1.43 ATOM 1034 HA VAL 63 9.035 -35.407 -3.190 1.00 30.03 ATOM 1035 CB VAL 63 10.074 -37.136 -3.894 1.00 2.22 ATOM 1036 HB VAL 63 9.719 -36.974 -4.901 1.00 21.12 ATOM 1037 CG1 VAL 63 11.499 -37.662 -3.971 1.00 21.20 ATOM 1038 HG11 VAL 63 11.884 -37.842 -2.978 1.00 2.23 ATOM 1039 HG12 VAL 63 12.133 -36.952 -4.477 1.00 42.44 ATOM 1040 HG13 VAL 63 11.506 -38.591 -4.524 1.00 3.14 ATOM 1041 CG2 VAL 63 9.159 -38.148 -3.222 1.00 74.24 ATOM 1042 HG21 VAL 63 8.172 -37.731 -3.139 1.00 34.41 ATOM 1043 HG22 VAL 63 9.529 -38.400 -2.239 1.00 22.02 ATOM 1044 HG23 VAL 63 9.123 -39.036 -3.811 1.00 0.41 ATOM 1045 C VAL 63 10.398 -36.028 -1.681 1.00 44.53 ATOM 1046 O VAL 63 11.575 -36.029 -1.316 1.00 33.44 ATOM 1047 N LEU 64 9.382 -36.227 -0.849 1.00 5.21 ATOM 1048 HN LEU 64 8.460 -36.229 -1.202 1.00 37.35 ATOM 1049 CA LEU 64 9.595 -36.465 0.575 1.00 50.24 ATOM 1050 HA LEU 64 10.478 -35.917 0.879 1.00 60.53 ATOM 1051 CB LEU 64 8.403 -35.947 1.382 1.00 61.32 ATOM 1052 HB1 LEU 64 7.539 -36.528 1.100 1.00 37.35 ATOM 1053 HB2 LEU 64 8.227 -34.919 1.094 1.00 63.02 ATOM 1054 CG LEU 64 8.546 -36.007 2.903 1.00 32.50 ATOM 1055 HG LEU 64 8.736 -37.027 3.202 1.00 3.42 ATOM 1056 CD1 LEU 64 9.721 -35.159 3.363 1.00 41.01 ATOM 1057 HD11 LEU 64 9.590 -34.140 3.027 1.00 71.41 ATOM 1058 HD12 LEU 64 10.639 -35.557 2.959 1.00 63.13 ATOM 1059 HD13 LEU 64 9.778 -35.173 4.443 1.00 30.34 ATOM 1060 CD2 LEU 64 7.260 -35.552 3.578 1.00 42.43 ATOM 1061 HD21 LEU 64 7.381 -35.575 4.651 1.00 23.23 ATOM 1062 HD22 LEU 64 6.452 -36.212 3.297 1.00 23.11 ATOM 1063 HD23 LEU 64 7.023 -34.543 3.267 1.00 52.54 ATOM 1064 C LEU 64 9.806 -37.950 0.853 1.00 40.41 ATOM 1065 O LEU 64 8.853 -38.729 0.873 1.00 64.12 ATOM 1066 N ASP 65 11.059 -38.333 1.069 1.00 23.21 ATOM 1067 HN ASP 65 11.771 -37.651 1.060 1.00 37.35 ATOM 1068 CA ASP 65 11.396 -39.724 1.350 1.00 75.10 ATOM 1069 HA ASP 65 11.143 -40.304 0.476 1.00 44.24 ATOM 1070 CB ASP 65 12.895 -39.865 1.617 1.00 50.14 ATOM 1071 HB1 ASP 65 13.147 -40.913 1.648 1.00 37.35 ATOM 1072 HB2 ASP 65 13.140 -39.409 2.567 1.00 73.04 ATOM 1073 CG ASP 65 13.738 -39.203 0.545 1.00 43.13 ATOM 1074 OD1 ASP 65 14.928 -38.931 0.810 1.00 53.02 ATOM 1075 OD2 ASP 65 13.209 -38.956 -0.559 1.00 55.22 ATOM 1076 C ASP 65 10.603 -40.244 2.545 1.00 32.21 ATOM 1077 O ASP 65 10.942 -39.968 3.697 1.00 52.55 ATOM 1078 N LEU 66 9.545 -40.998 2.264 1.00 3.43 ATOM 1079 HN LEU 66 9.328 -41.190 1.328 1.00 37.35 ATOM 1080 CA LEU 66 8.703 -41.556 3.316 1.00 32.11 ATOM 1081 HA LEU 66 8.383 -40.750 3.956 1.00 12.10 ATOM 1082 CB LEU 66 7.478 -42.240 2.706 1.00 12.24 ATOM 1083 HB1 LEU 66 6.979 -42.810 3.484 1.00 37.35 ATOM 1084 HB2 LEU 66 7.829 -42.932 1.953 1.00 12.12 ATOM 1085 CG LEU 66 6.444 -41.315 2.062 1.00 23.21 ATOM 1086 HG LEU 66 6.914 -40.764 1.260 1.00 54.24 ATOM 1087 CD1 LEU 66 5.301 -42.124 1.468 1.00 5.10 ATOM 1088 HD11 LEU 66 4.804 -42.683 2.249 1.00 11.23 ATOM 1089 HD12 LEU 66 5.689 -42.810 0.728 1.00 31.34 ATOM 1090 HD13 LEU 66 4.591 -41.458 0.997 1.00 13.03 ATOM 1091 CD2 LEU 66 5.918 -40.313 3.079 1.00 44.52 ATOM 1092 HD21 LEU 66 5.525 -40.836 3.940 1.00 52.23 ATOM 1093 HD22 LEU 66 5.130 -39.720 2.632 1.00 62.44 ATOM 1094 HD23 LEU 66 6.714 -39.656 3.389 1.00 61.14 ATOM 1095 C LEU 66 9.483 -42.552 4.168 1.00 5.42 ATOM 1096 O LEU 66 9.433 -42.506 5.398 1.00 73.54 ATOM 1097 N PHE 67 10.207 -43.449 3.507 1.00 42.21 ATOM 1098 HN PHE 67 10.200 -43.444 2.520 1.00 37.35 ATOM 1099 CA PHE 67 11.000 -44.455 4.204 1.00 42.05 ATOM 1100 HA PHE 67 10.314 -45.124 4.706 1.00 23.44 ATOM 1101 CB PHE 67 11.841 -45.253 3.205 1.00 5.21 ATOM 1102 HB1 PHE 67 12.648 -44.631 2.834 1.00 37.35 ATOM 1103 HB2 PHE 67 11.212 -45.533 2.369 1.00 63.00 ATOM 1104 CG PHE 67 12.441 -46.500 3.789 1.00 63.13 ATOM 1105 CD1 PHE 67 11.969 -47.750 3.420 1.00 45.41 ATOM 1106 HD1 PHE 67 11.163 -47.824 2.704 1.00 74.15 ATOM 1107 CD2 PHE 67 13.477 -46.423 4.706 1.00 62.25 ATOM 1108 HD2 PHE 67 13.869 -45.463 5.000 1.00 21.34 ATOM 1109 CE1 PHE 67 12.519 -48.899 3.956 1.00 42.30 ATOM 1110 HE1 PHE 67 12.159 -49.867 3.658 1.00 10.30 ATOM 1111 CE2 PHE 67 14.031 -47.569 5.245 1.00 42.02 ATOM 1112 HE2 PHE 67 14.839 -47.496 5.957 1.00 73.40 ATOM 1113 CZ PHE 67 13.552 -48.808 4.869 1.00 61.44 ATOM 1114 HZ PHE 67 13.983 -49.705 5.289 1.00 11.31 ATOM 1115 C PHE 67 11.907 -43.807 5.246 1.00 35.01 ATOM 1116 O PHE 67 11.942 -44.229 6.402 1.00 72.25 ATOM 1117 N MET 68 12.638 -42.779 4.828 1.00 24.34 ATOM 1118 HN MET 68 12.540 -42.471 3.897 1.00 37.35 ATOM 1119 CA MET 68 13.545 -42.072 5.726 1.00 73.31 ATOM 1120 HA MET 68 14.200 -42.795 6.188 1.00 65.32 ATOM 1121 CB MET 68 14.381 -41.057 4.945 1.00 50.13 ATOM 1122 HB1 MET 68 15.101 -40.594 5.600 1.00 37.35 ATOM 1123 HB2 MET 68 13.710 -40.302 4.564 1.00 23.05 ATOM 1124 CG MET 68 15.105 -41.657 3.750 1.00 3.44 ATOM 1125 HG1 MET 68 15.720 -40.892 3.300 1.00 37.35 ATOM 1126 HG2 MET 68 14.379 -41.998 3.032 1.00 12.45 ATOM 1127 SD MET 68 16.160 -43.047 4.204 1.00 11.10 ATOM 1128 CE MET 68 17.015 -42.373 5.626 1.00 23.11 ATOM 1129 HE1 MET 68 17.397 -41.392 5.385 1.00 51.44 ATOM 1130 HE2 MET 68 17.836 -43.022 5.892 1.00 42.13 ATOM 1131 HE3 MET 68 16.332 -42.300 6.459 1.00 61.32 ATOM 1132 C MET 68 12.771 -41.366 6.834 1.00 12.23 ATOM 1133 O MET 68 13.139 -41.441 8.007 1.00 12.04 ATOM 1134 N LEU 69 11.698 -40.680 6.456 1.00 40.21 ATOM 1135 HN LEU 69 11.459 -40.649 5.499 1.00 37.35 ATOM 1136 CA LEU 69 10.872 -39.959 7.418 1.00 31.14 ATOM 1137 HA LEU 69 11.483 -39.185 7.859 1.00 32.51 ATOM 1138 CB LEU 69 9.671 -39.325 6.715 1.00 12.41 ATOM 1139 HB1 LEU 69 8.823 -39.995 6.808 1.00 37.35 ATOM 1140 HB2 LEU 69 9.894 -39.229 5.664 1.00 62.51 ATOM 1141 CG LEU 69 9.246 -37.947 7.224 1.00 14.12 ATOM 1142 HG LEU 69 9.177 -37.973 8.302 1.00 21.21 ATOM 1143 CD1 LEU 69 10.278 -36.896 6.847 1.00 64.32 ATOM 1144 HD11 LEU 69 9.963 -35.930 7.217 1.00 32.23 ATOM 1145 HD12 LEU 69 10.377 -36.851 5.771 1.00 33.24 ATOM 1146 HD13 LEU 69 11.233 -37.148 7.284 1.00 52.32 ATOM 1147 CD2 LEU 69 7.877 -37.574 6.674 1.00 51.13 ATOM 1148 HD21 LEU 69 7.526 -36.675 7.159 1.00 71.53 ATOM 1149 HD22 LEU 69 7.177 -38.372 6.846 1.00 70.11 ATOM 1150 HD23 LEU 69 7.951 -37.400 5.611 1.00 24.13 ATOM 1151 C LEU 69 10.393 -40.889 8.529 1.00 52.14 ATOM 1152 O LEU 69 10.475 -40.555 9.711 1.00 45.12 ATOM 1153 N TYR 70 9.894 -42.057 8.140 1.00 31.14 ATOM 1154 HN TYR 70 9.852 -42.269 7.178 1.00 37.35 ATOM 1155 CA TYR 70 9.401 -43.036 9.103 1.00 44.43 ATOM 1156 HA TYR 70 8.665 -42.556 9.730 1.00 11.24 ATOM 1157 CB TYR 70 8.739 -44.208 8.376 1.00 1.34 ATOM 1158 HB1 TYR 70 9.416 -44.572 7.614 1.00 37.35 ATOM 1159 HB2 TYR 70 7.836 -43.863 7.899 1.00 61.50 ATOM 1160 CG TYR 70 8.379 -45.359 9.288 1.00 61.22 ATOM 1161 CD1 TYR 70 7.243 -45.309 10.087 1.00 62.34 ATOM 1162 HD1 TYR 70 6.610 -44.433 10.053 1.00 10.23 ATOM 1163 CD2 TYR 70 9.175 -46.496 9.351 1.00 72.31 ATOM 1164 HD2 TYR 70 10.064 -46.554 8.738 1.00 32.42 ATOM 1165 CE1 TYR 70 6.910 -46.359 10.921 1.00 5.44 ATOM 1166 HE1 TYR 70 6.029 -46.307 11.527 1.00 43.31 ATOM 1167 CE2 TYR 70 8.849 -47.551 10.182 1.00 40.25 ATOM 1168 HE2 TYR 70 9.481 -48.426 10.216 1.00 1.32 ATOM 1169 CZ TYR 70 7.716 -47.477 10.965 1.00 62.31 ATOM 1170 OH TYR 70 7.389 -48.525 11.795 1.00 60.12 ATOM 1171 HH TYR 70 7.986 -48.543 12.549 1.00 74.33 ATOM 1172 C TYR 70 10.534 -43.546 9.989 1.00 74.03 ATOM 1173 O TYR 70 10.431 -43.534 11.215 1.00 24.34 ATOM 1174 N VAL 71 11.614 -43.994 9.357 1.00 4.23 ATOM 1175 HN VAL 71 11.642 -43.955 8.372 1.00 37.35 ATOM 1176 CA VAL 71 12.768 -44.507 10.086 1.00 31.14 ATOM 1177 HA VAL 71 12.452 -45.379 10.646 1.00 25.35 ATOM 1178 CB VAL 71 13.896 -44.929 9.127 1.00 62.15 ATOM 1179 HB VAL 71 14.190 -44.068 8.542 1.00 44.34 ATOM 1180 CG1 VAL 71 15.110 -45.410 9.907 1.00 33.23 ATOM 1181 HG11 VAL 71 15.829 -45.849 9.227 1.00 63.14 ATOM 1182 HG12 VAL 71 14.811 -46.153 10.634 1.00 23.03 ATOM 1183 HG13 VAL 71 15.575 -44.578 10.414 1.00 70.20 ATOM 1184 CG2 VAL 71 13.406 -46.006 8.170 1.00 44.42 ATOM 1185 HG21 VAL 71 12.377 -45.857 7.898 1.00 60.02 ATOM 1186 HG22 VAL 71 13.506 -46.983 8.626 1.00 74.04 ATOM 1187 HG23 VAL 71 14.014 -45.964 7.292 1.00 25.33 ATOM 1188 C VAL 71 13.308 -43.468 11.062 1.00 21.15 ATOM 1189 O VAL 71 13.693 -43.796 12.186 1.00 62.24 ATOM 1190 N LEU 72 13.333 -42.213 10.628 1.00 64.13 ATOM 1191 HN LEU 72 13.015 -42.009 9.719 1.00 37.35 ATOM 1192 CA LEU 72 13.826 -41.124 11.463 1.00 1.45 ATOM 1193 HA LEU 72 14.771 -41.433 11.884 1.00 24.34 ATOM 1194 CB LEU 72 14.022 -39.860 10.625 1.00 41.44 ATOM 1195 HB1 LEU 72 13.732 -39.012 11.210 1.00 37.35 ATOM 1196 HB2 LEU 72 13.370 -39.896 9.769 1.00 4.32 ATOM 1197 CG LEU 72 15.445 -39.596 10.130 1.00 31.12 ATOM 1198 HG LEU 72 15.446 -38.708 9.515 1.00 24.32 ATOM 1199 CD1 LEU 72 16.382 -39.354 11.304 1.00 74.53 ATOM 1200 HD11 LEU 72 16.006 -38.539 11.907 1.00 64.54 ATOM 1201 HD12 LEU 72 17.363 -39.094 10.932 1.00 42.33 ATOM 1202 HD13 LEU 72 16.456 -40.244 11.910 1.00 51.11 ATOM 1203 CD2 LEU 72 15.939 -40.759 9.282 1.00 33.00 ATOM 1204 HD21 LEU 72 15.322 -40.856 8.407 1.00 4.53 ATOM 1205 HD22 LEU 72 15.908 -41.676 9.851 1.00 2.14 ATOM 1206 HD23 LEU 72 16.958 -40.570 8.972 1.00 50.34 ATOM 1207 C LEU 72 12.864 -40.841 12.613 1.00 53.14 ATOM 1208 O LEU 72 13.248 -40.877 13.782 1.00 43.14 ATOM 1209 N VAL 73 11.609 -40.561 12.272 1.00 25.43 ATOM 1210 HN VAL 73 11.361 -40.555 11.318 1.00 37.35 ATOM 1211 CA VAL 73 10.591 -40.276 13.275 1.00 14.14 ATOM 1212 HA VAL 73 10.849 -39.343 13.759 1.00 73.42 ATOM 1213 CB VAL 73 9.198 -40.127 12.634 1.00 1.43 ATOM 1214 HB VAL 73 8.997 -41.011 12.047 1.00 14.14 ATOM 1215 CG1 VAL 73 8.126 -40.014 13.707 1.00 34.20 ATOM 1216 HG11 VAL 73 7.963 -40.979 14.163 1.00 52.44 ATOM 1217 HG12 VAL 73 7.197 -39.684 13.260 1.00 24.34 ATOM 1218 HG13 VAL 73 8.421 -39.310 14.461 1.00 11.41 ATOM 1219 CG2 VAL 73 9.165 -38.921 11.707 1.00 3.25 ATOM 1220 HG21 VAL 73 10.081 -38.840 11.147 1.00 34.23 ATOM 1221 HG22 VAL 73 9.033 -38.015 12.286 1.00 71.41 ATOM 1222 HG23 VAL 73 8.338 -39.025 11.020 1.00 74.35 ATOM 1223 C VAL 73 10.537 -41.374 14.332 1.00 53.32 ATOM 1224 O VAL 73 10.329 -41.103 15.515 1.00 33.32 ATOM 1225 N THR 74 10.726 -42.616 13.897 1.00 11.20 ATOM 1226 HN THR 74 10.881 -42.780 12.937 1.00 37.35 ATOM 1227 CA THR 74 10.698 -43.756 14.805 1.00 43.25 ATOM 1228 HA THR 74 9.819 -43.672 15.436 1.00 14.30 ATOM 1229 CB THR 74 10.616 -45.086 14.033 1.00 74.32 ATOM 1230 HB THR 74 10.740 -45.909 14.729 1.00 33.53 ATOM 1231 OG1 THR 74 11.652 -45.146 13.046 1.00 12.33 ATOM 1232 HG1 THR 74 12.416 -45.604 13.405 1.00 65.13 ATOM 1233 CG2 THR 74 9.259 -45.239 13.361 1.00 44.22 ATOM 1234 HG21 THR 74 9.331 -45.984 12.586 1.00 5.12 ATOM 1235 HG22 THR 74 8.942 -44.300 12.928 1.00 63.31 ATOM 1236 HG23 THR 74 8.532 -45.557 14.093 1.00 33.10 ATOM 1237 C THR 74 11.932 -43.776 15.699 1.00 23.33 ATOM 1238 O THR 74 11.822 -43.860 16.922 1.00 54.31 ATOM 1239 N GLU 75 13.107 -43.699 15.082 1.00 51.14 ATOM 1240 HN GLU 75 13.129 -43.628 14.097 1.00 37.35 ATOM 1241 CA GLU 75 14.362 -43.709 15.824 1.00 12.12 ATOM 1242 HA GLU 75 14.420 -44.638 16.374 1.00 41.01 ATOM 1243 CB GLU 75 15.550 -43.631 14.863 1.00 53.11 ATOM 1244 HB1 GLU 75 15.265 -44.050 13.913 1.00 37.35 ATOM 1245 HB2 GLU 75 16.355 -44.233 15.259 1.00 24.54 ATOM 1246 CG GLU 75 16.046 -42.215 14.622 1.00 21.23 ATOM 1247 HG1 GLU 75 15.239 -41.512 14.642 1.00 37.35 ATOM 1248 HG2 GLU 75 16.497 -42.188 13.641 1.00 63.34 ATOM 1249 CD GLU 75 17.102 -41.789 15.624 1.00 62.24 ATOM 1250 OE1 GLU 75 17.595 -40.647 15.515 1.00 44.11 ATOM 1251 OE2 GLU 75 17.436 -42.597 16.515 1.00 34.41 ATOM 1252 C GLU 75 14.417 -42.549 16.814 1.00 45.30 ATOM 1253 O GLU 75 15.162 -42.588 17.793 1.00 5.04 ATOM 1254 N LYS 76 13.624 -41.516 16.551 1.00 42.21 ATOM 1255 HN LYS 76 13.087 -41.501 15.730 1.00 37.35 ATOM 1256 CA LYS 76 13.581 -40.344 17.417 1.00 52.40 ATOM 1257 HA LYS 76 14.585 -40.138 17.765 1.00 72.24 ATOM 1258 CB LYS 76 13.051 -39.133 16.645 1.00 20.01 ATOM 1259 HB1 LYS 76 12.754 -38.358 17.343 1.00 37.35 ATOM 1260 HB2 LYS 76 12.185 -39.435 16.075 1.00 32.22 ATOM 1261 CG LYS 76 14.063 -38.535 15.683 1.00 12.42 ATOM 1262 HG1 LYS 76 13.584 -37.736 15.145 1.00 37.35 ATOM 1263 HG2 LYS 76 14.391 -39.293 14.994 1.00 73.44 ATOM 1264 CD LYS 76 15.277 -37.992 16.418 1.00 42.22 ATOM 1265 HD1 LYS 76 16.010 -38.783 16.483 1.00 37.35 ATOM 1266 HD2 LYS 76 15.014 -37.682 17.413 1.00 73.11 ATOM 1267 CE LYS 76 15.905 -36.825 15.671 1.00 70.14 ATOM 1268 HE1 LYS 76 15.205 -36.009 15.625 1.00 37.35 ATOM 1269 HE2 LYS 76 16.142 -37.145 14.665 1.00 24.32 ATOM 1270 NZ LYS 76 17.161 -36.361 16.322 1.00 11.42 ATOM 1271 HZ1 LYS 76 17.759 -37.175 16.586 1.00 62.34 ATOM 1272 HZ2 LYS 76 16.952 -35.814 17.175 1.00 2.54 ATOM 1273 HZ3 LYS 76 17.699 -35.765 15.669 1.00 41.55 ATOM 1274 C LYS 76 12.706 -40.603 18.640 1.00 44.43 ATOM 1275 O LYS 76 12.858 -39.952 19.673 1.00 44.14 ATOM 1276 N GLY 77 11.791 -41.559 18.515 1.00 11.14 ATOM 1277 HN GLY 77 11.705 -42.055 17.680 1.00 37.35 ATOM 1278 CA GLY 77 10.907 -41.888 19.618 1.00 1.45 ATOM 1279 HA1 GLY 77 10.933 -41.111 20.368 1.00 37.35 ATOM 1280 HA2 GLY 77 11.246 -42.809 20.067 1.00 32.51 ATOM 1281 C GLY 77 9.469 -42.071 19.175 1.00 44.14 ATOM 1282 O GLY 77 8.655 -42.636 19.903 1.00 14.31 ATOM 1283 N GLY 78 9.156 -41.590 17.975 1.00 32.31 ATOM 1284 HN GLY 78 9.826 -41.128 17.428 1.00 37.35 ATOM 1285 CA GLY 78 7.806 -41.712 17.457 1.00 71.43 ATOM 1286 HA1 GLY 78 7.140 -42.112 18.212 1.00 37.35 ATOM 1287 HA2 GLY 78 7.823 -42.395 16.621 1.00 30.03 ATOM 1288 C GLY 78 7.245 -40.386 16.982 1.00 31.54 ATOM 1289 O GLY 78 7.776 -39.325 17.313 1.00 61.35 ATOM 1290 N LEU 79 6.170 -40.445 16.205 1.00 75.33 ATOM 1291 HN LEU 79 5.792 -41.327 15.972 1.00 37.35 ATOM 1292 CA LEU 79 5.536 -39.239 15.682 1.00 24.31 ATOM 1293 HA LEU 79 6.215 -38.771 14.994 1.00 20.41 ATOM 1294 CB LEU 79 4.245 -39.596 14.944 1.00 32.45 ATOM 1295 HB1 LEU 79 3.651 -40.221 15.597 1.00 37.35 ATOM 1296 HB2 LEU 79 4.518 -40.176 14.082 1.00 11.01 ATOM 1297 CG LEU 79 3.379 -38.418 14.498 1.00 40.20 ATOM 1298 HG LEU 79 2.984 -37.914 15.369 1.00 42.11 ATOM 1299 CD1 LEU 79 4.208 -37.414 13.712 1.00 61.35 ATOM 1300 HD11 LEU 79 4.822 -37.922 12.988 1.00 1.42 ATOM 1301 HD12 LEU 79 4.846 -36.874 14.395 1.00 64.00 ATOM 1302 HD13 LEU 79 3.560 -36.709 13.205 1.00 75.43 ATOM 1303 CD2 LEU 79 2.201 -38.906 13.668 1.00 53.11 ATOM 1304 HD21 LEU 79 1.301 -38.813 14.258 1.00 62.41 ATOM 1305 HD22 LEU 79 2.325 -39.942 13.393 1.00 63.41 ATOM 1306 HD23 LEU 79 2.088 -38.311 12.772 1.00 14.14 ATOM 1307 C LEU 79 5.238 -38.251 16.805 1.00 53.12 ATOM 1308 O LEU 79 5.668 -37.098 16.763 1.00 65.45 ATOM 1309 N VAL 80 4.499 -38.710 17.810 1.00 72.32 ATOM 1310 HN VAL 80 4.218 -39.653 17.796 1.00 37.35 ATOM 1311 CA VAL 80 4.145 -37.868 18.946 1.00 1.10 ATOM 1312 HA VAL 80 3.529 -37.056 18.581 1.00 55.43 ATOM 1313 CB VAL 80 3.341 -38.654 19.998 1.00 14.34 ATOM 1314 HB VAL 80 3.962 -39.452 20.383 1.00 44.43 ATOM 1315 CG1 VAL 80 2.955 -37.750 21.160 1.00 61.50 ATOM 1316 HG11 VAL 80 2.704 -36.762 20.793 1.00 14.30 ATOM 1317 HG12 VAL 80 3.786 -37.674 21.843 1.00 50.40 ATOM 1318 HG13 VAL 80 2.106 -38.151 21.683 1.00 33.33 ATOM 1319 CG2 VAL 80 2.106 -39.280 19.367 1.00 44.33 ATOM 1320 HG21 VAL 80 2.397 -39.972 18.594 1.00 1.35 ATOM 1321 HG22 VAL 80 1.493 -38.514 18.942 1.00 44.35 ATOM 1322 HG23 VAL 80 1.546 -39.813 20.115 1.00 22.01 ATOM 1323 C VAL 80 5.389 -37.284 19.606 1.00 44.15 ATOM 1324 O VAL 80 5.480 -36.076 19.822 1.00 52.14 ATOM 1325 N GLU 81 6.347 -38.150 19.922 1.00 34.34 ATOM 1326 HN GLU 81 6.215 -39.109 19.726 1.00 37.35 ATOM 1327 CA GLU 81 7.586 -37.719 20.558 1.00 63.41 ATOM 1328 HA GLU 81 7.342 -37.342 21.541 1.00 62.22 ATOM 1329 CB GLU 81 8.548 -38.900 20.703 1.00 22.43 ATOM 1330 HB1 GLU 81 8.835 -39.239 19.716 1.00 37.35 ATOM 1331 HB2 GLU 81 8.019 -39.702 21.196 1.00 74.42 ATOM 1332 CG GLU 81 9.813 -38.564 21.475 1.00 42.32 ATOM 1333 HG1 GLU 81 9.692 -37.615 21.983 1.00 37.35 ATOM 1334 HG2 GLU 81 10.632 -38.489 20.776 1.00 55.03 ATOM 1335 CD GLU 81 10.162 -39.615 22.510 1.00 23.21 ATOM 1336 OE1 GLU 81 9.233 -40.139 23.159 1.00 32.41 ATOM 1337 OE2 GLU 81 11.364 -39.914 22.672 1.00 51.44 ATOM 1338 C GLU 81 8.250 -36.604 19.755 1.00 22.41 ATOM 1339 O GLU 81 8.825 -35.674 20.321 1.00 73.11 ATOM 1340 N VAL 82 8.167 -36.706 18.432 1.00 4.42 ATOM 1341 HN VAL 82 7.704 -37.477 18.029 1.00 37.35 ATOM 1342 CA VAL 82 8.759 -35.706 17.551 1.00 61.45 ATOM 1343 HA VAL 82 9.764 -35.523 17.887 1.00 44.02 ATOM 1344 CB VAL 82 8.812 -36.204 16.094 1.00 64.40 ATOM 1345 HB VAL 82 7.810 -36.452 15.779 1.00 2.34 ATOM 1346 CG1 VAL 82 9.340 -35.113 15.175 1.00 4.04 ATOM 1347 HG11 VAL 82 8.741 -35.105 14.278 1.00 14.22 ATOM 1348 HG12 VAL 82 10.365 -35.320 14.898 1.00 22.51 ATOM 1349 HG13 VAL 82 9.301 -34.137 15.626 1.00 62.20 ATOM 1350 CG2 VAL 82 9.667 -37.459 15.991 1.00 12.21 ATOM 1351 HG21 VAL 82 9.273 -38.225 16.617 1.00 25.11 ATOM 1352 HG22 VAL 82 10.676 -37.237 16.303 1.00 23.12 ATOM 1353 HG23 VAL 82 9.684 -37.801 14.968 1.00 41.44 ATOM 1354 C VAL 82 7.978 -34.398 17.601 1.00 43.05 ATOM 1355 O VAL 82 8.555 -33.326 17.783 1.00 5.25 ATOM 1356 N ILE 83 6.663 -34.494 17.437 1.00 1.33 ATOM 1357 HN ILE 83 6.260 -35.384 17.313 1.00 37.35 ATOM 1358 CA ILE 83 5.803 -33.317 17.466 1.00 72.45 ATOM 1359 HA ILE 83 6.081 -32.677 16.637 1.00 33.43 ATOM 1360 CB ILE 83 4.319 -33.701 17.308 1.00 5.13 ATOM 1361 HB ILE 83 4.058 -34.375 18.113 1.00 41.05 ATOM 1362 CG1 ILE 83 4.091 -34.404 15.969 1.00 42.35 ATOM 1363 HG11 ILE 83 4.819 -35.180 15.833 1.00 37.35 ATOM 1364 HG12 ILE 83 4.207 -33.697 15.176 1.00 51.54 ATOM 1365 CG2 ILE 83 3.438 -32.466 17.422 1.00 42.02 ATOM 1366 HG21 ILE 83 3.747 -31.729 16.693 1.00 74.42 ATOM 1367 HG22 ILE 83 3.514 -32.046 18.412 1.00 51.22 ATOM 1368 HG23 ILE 83 2.407 -32.729 17.243 1.00 21.42 ATOM 1369 CD1 ILE 83 2.728 -35.049 15.849 1.00 2.12 ATOM 1370 HD11 ILE 83 1.961 -34.294 15.921 1.00 40.32 ATOM 1371 HD12 ILE 83 2.600 -35.769 16.643 1.00 2.34 ATOM 1372 HD13 ILE 83 2.647 -35.548 14.898 1.00 11.35 ATOM 1373 C ILE 83 5.980 -32.538 18.764 1.00 12.11 ATOM 1374 O ILE 83 5.897 -31.311 18.779 1.00 12.43 ATOM 1375 N ASN 84 6.226 -33.260 19.852 1.00 11.05 ATOM 1376 HN ASN 84 6.278 -34.242 19.788 1.00 37.35 ATOM 1377 CA ASN 84 6.416 -32.636 21.157 1.00 44.12 ATOM 1378 HA ASN 84 5.760 -31.774 21.228 1.00 50.13 ATOM 1379 CB ASN 84 6.062 -33.621 22.273 1.00 5.31 ATOM 1380 HB1 ASN 84 6.437 -33.248 23.219 1.00 37.35 ATOM 1381 HB2 ASN 84 6.529 -34.572 22.062 1.00 24.22 ATOM 1382 CG ASN 84 4.566 -33.822 22.413 1.00 30.41 ATOM 1383 OD1 ASN 84 3.800 -32.859 22.461 1.00 64.55 ATOM 1384 ND2 ASN 84 4.142 -35.079 22.480 1.00 23.12 ATOM 1385 HD21 ASN 84 4.798 -35.810 22.436 1.00 4.13 ATOM 1386 HD22 ASN 84 3.180 -35.230 22.578 1.00 35.33 ATOM 1387 C ASN 84 7.854 -32.155 21.325 1.00 44.21 ATOM 1388 O ASN 84 8.098 -31.044 21.796 1.00 44.32 ATOM 1389 N LYS 85 8.804 -32.999 20.936 1.00 41.20 ATOM 1390 HN LYS 85 8.550 -33.879 20.571 1.00 37.35 ATOM 1391 CA LYS 85 10.219 -32.661 21.041 1.00 54.11 ATOM 1392 HA LYS 85 10.425 -32.379 22.067 1.00 62.43 ATOM 1393 CB LYS 85 11.082 -33.869 20.669 1.00 14.14 ATOM 1394 HB1 LYS 85 12.073 -33.527 20.389 1.00 37.35 ATOM 1395 HB2 LYS 85 10.642 -34.359 19.818 1.00 2.40 ATOM 1396 CG LYS 85 11.216 -34.887 21.788 1.00 24.31 ATOM 1397 HG1 LYS 85 10.904 -35.850 21.417 1.00 37.35 ATOM 1398 HG2 LYS 85 10.590 -34.611 22.628 1.00 11.40 ATOM 1399 CD LYS 85 12.655 -35.010 22.261 1.00 44.45 ATOM 1400 HD1 LYS 85 13.295 -35.217 21.413 1.00 37.35 ATOM 1401 HD2 LYS 85 12.717 -35.828 22.965 1.00 53.13 ATOM 1402 CE LYS 85 13.129 -33.735 22.942 1.00 53.44 ATOM 1403 HE1 LYS 85 12.304 -33.280 23.477 1.00 37.35 ATOM 1404 HE2 LYS 85 13.485 -33.051 22.187 1.00 41.11 ATOM 1405 NZ LYS 85 14.231 -33.998 23.908 1.00 35.21 ATOM 1406 HZ1 LYS 85 14.531 -33.108 24.354 1.00 11.31 ATOM 1407 HZ2 LYS 85 15.049 -34.417 23.419 1.00 4.11 ATOM 1408 HZ3 LYS 85 13.912 -34.653 24.652 1.00 63.43 ATOM 1409 C LYS 85 10.564 -31.480 20.140 1.00 41.40 ATOM 1410 O LYS 85 11.611 -30.851 20.296 1.00 24.53 ATOM 1411 N LYS 86 9.677 -31.181 19.197 1.00 14.02 ATOM 1412 HN LYS 86 8.889 -31.739 19.053 1.00 37.35 ATOM 1413 CA LYS 86 9.885 -30.073 18.272 1.00 24.24 ATOM 1414 HA LYS 86 9.119 -30.125 17.513 1.00 12.14 ATOM 1415 CB LYS 86 9.766 -28.737 19.009 1.00 33.33 ATOM 1416 HB1 LYS 86 9.928 -27.926 18.309 1.00 37.35 ATOM 1417 HB2 LYS 86 10.536 -28.693 19.769 1.00 41.42 ATOM 1418 CG LYS 86 8.427 -28.541 19.700 1.00 61.33 ATOM 1419 HG1 LYS 86 8.582 -27.886 20.546 1.00 37.35 ATOM 1420 HG2 LYS 86 8.051 -29.488 20.049 1.00 42.55 ATOM 1421 CD LYS 86 7.399 -27.932 18.761 1.00 62.43 ATOM 1422 HD1 LYS 86 6.745 -28.717 18.430 1.00 37.35 ATOM 1423 HD2 LYS 86 7.887 -27.491 17.899 1.00 10.43 ATOM 1424 CE LYS 86 6.572 -26.863 19.457 1.00 4.35 ATOM 1425 HE1 LYS 86 6.582 -27.019 20.529 1.00 37.35 ATOM 1426 HE2 LYS 86 5.557 -26.932 19.104 1.00 72.13 ATOM 1427 NZ LYS 86 7.076 -25.493 19.163 1.00 51.34 ATOM 1428 HZ1 LYS 86 8.061 -25.392 19.487 1.00 12.25 ATOM 1429 HZ2 LYS 86 6.491 -24.787 19.653 1.00 44.30 ATOM 1430 HZ3 LYS 86 7.037 -25.305 18.139 1.00 73.13 ATOM 1431 C LYS 86 11.251 -30.175 17.601 1.00 23.02 ATOM 1432 O LYS 86 11.844 -29.165 17.220 1.00 0.42 ATOM 1433 N LEU 87 11.745 -31.400 17.458 1.00 42.10 ATOM 1434 HN LEU 87 11.210 -32.163 17.727 1.00 37.35 ATOM 1435 CA LEU 87 13.041 -31.634 16.831 1.00 43.34 ATOM 1436 HA LEU 87 13.654 -30.747 16.946 1.00 60.24 ATOM 1437 CB LEU 87 13.757 -32.802 17.512 1.00 15.41 ATOM 1438 HB1 LEU 87 13.536 -32.762 18.572 1.00 37.35 ATOM 1439 HB2 LEU 87 14.821 -32.657 17.384 1.00 64.23 ATOM 1440 CG LEU 87 13.405 -34.197 16.995 1.00 25.32 ATOM 1441 HG LEU 87 13.788 -34.331 15.999 1.00 21.12 ATOM 1442 CD1 LEU 87 14.056 -35.266 17.860 1.00 43.14 ATOM 1443 HD11 LEU 87 13.689 -36.232 17.568 1.00 22.14 ATOM 1444 HD12 LEU 87 13.807 -35.095 18.900 1.00 43.42 ATOM 1445 HD13 LEU 87 15.120 -35.227 17.739 1.00 32.51 ATOM 1446 CD2 LEU 87 11.896 -34.387 16.955 1.00 22.22 ATOM 1447 HD21 LEU 87 11.442 -33.717 16.251 1.00 11.03 ATOM 1448 HD22 LEU 87 11.486 -34.212 17.933 1.00 61.22 ATOM 1449 HD23 LEU 87 11.675 -35.401 16.661 1.00 10.54 ATOM 1450 C LEU 87 12.882 -31.920 15.341 1.00 55.21 ATOM 1451 O LEU 87 13.763 -32.507 14.714 1.00 60.32 ATOM 1452 N TRP 88 11.753 -31.499 14.781 1.00 62.20 ATOM 1453 HN TRP 88 11.077 -31.041 15.311 1.00 37.35 ATOM 1454 CA TRP 88 11.479 -31.708 13.364 1.00 61.52 ATOM 1455 HA TRP 88 11.290 -32.763 13.218 1.00 74.40 ATOM 1456 CB TRP 88 10.252 -30.902 12.936 1.00 40.20 ATOM 1457 HB1 TRP 88 10.328 -30.646 11.885 1.00 37.35 ATOM 1458 HB2 TRP 88 10.207 -29.989 13.513 1.00 60.45 ATOM 1459 CG TRP 88 8.961 -31.641 13.120 1.00 64.20 ATOM 1460 CD1 TRP 88 7.919 -31.283 13.926 1.00 1.43 ATOM 1461 HD1 TRP 88 7.906 -30.403 14.548 1.00 52.42 ATOM 1462 CD2 TRP 88 8.578 -32.866 12.486 1.00 74.13 ATOM 1463 NE1 TRP 88 6.910 -32.211 13.831 1.00 4.15 ATOM 1464 HE1 TRP 88 6.057 -32.175 14.313 1.00 4.14 ATOM 1465 CE2 TRP 88 7.289 -33.192 12.954 1.00 44.45 ATOM 1466 CE3 TRP 88 9.196 -33.718 11.567 1.00 74.34 ATOM 1467 HE3 TRP 88 10.176 -33.501 11.184 1.00 34.04 ATOM 1468 CZ2 TRP 88 6.612 -34.333 12.533 1.00 14.13 ATOM 1469 HZ2 TRP 88 5.629 -34.580 12.902 1.00 4.33 ATOM 1470 CZ3 TRP 88 8.522 -34.851 11.151 1.00 53.22 ATOM 1471 HZ3 TRP 88 8.976 -35.517 10.441 1.00 13.53 ATOM 1472 CH2 TRP 88 7.240 -35.150 11.633 1.00 4.51 ATOM 1473 HH2 TRP 88 6.751 -36.046 11.281 1.00 13.21 ATOM 1474 C TRP 88 12.682 -31.317 12.513 1.00 2.20 ATOM 1475 O TRP 88 12.906 -31.880 11.441 1.00 11.04 ATOM 1476 N ARG 89 13.454 -30.349 12.997 1.00 71.00 ATOM 1477 HN ARG 89 13.206 -29.915 13.837 1.00 37.35 ATOM 1478 CA ARG 89 14.634 -29.882 12.279 1.00 30.05 ATOM 1479 HA ARG 89 14.302 -29.389 11.377 1.00 1.31 ATOM 1480 CB ARG 89 15.414 -28.881 13.134 1.00 33.01 ATOM 1481 HB1 ARG 89 16.163 -28.410 12.512 1.00 37.35 ATOM 1482 HB2 ARG 89 15.913 -29.417 13.934 1.00 41.24 ATOM 1483 CG ARG 89 14.540 -27.812 13.770 1.00 71.14 ATOM 1484 HG1 ARG 89 14.606 -27.901 14.844 1.00 37.35 ATOM 1485 HG2 ARG 89 13.510 -27.924 13.462 1.00 63.45 ATOM 1486 CD ARG 89 14.990 -26.415 13.371 1.00 75.23 ATOM 1487 HD1 ARG 89 14.847 -26.296 12.306 1.00 37.35 ATOM 1488 HD2 ARG 89 16.040 -26.302 13.608 1.00 15.55 ATOM 1489 NE ARG 89 14.237 -25.377 14.070 1.00 32.40 ATOM 1490 HE ARG 89 13.542 -25.661 14.709 1.00 10.51 ATOM 1491 CZ ARG 89 14.438 -24.077 13.891 1.00 41.40 ATOM 1492 NH1 ARG 89 15.363 -23.657 13.039 1.00 4.33 ATOM 1493 HH11 ARG 89 15.922 -24.302 12.519 1.00 72.31 ATOM 1494 HH12 ARG 89 15.508 -22.674 12.910 1.00 2.44 ATOM 1495 NH2 ARG 89 13.713 -23.193 14.564 1.00 14.13 ATOM 1496 HH21 ARG 89 13.012 -23.503 15.209 1.00 50.30 ATOM 1497 HH22 ARG 89 13.863 -22.211 14.430 1.00 71.40 ATOM 1498 C ARG 89 15.536 -31.052 11.897 1.00 40.20 ATOM 1499 O ARG 89 16.051 -31.111 10.781 1.00 3.11 ATOM 1500 N GLU 90 15.722 -31.979 12.831 1.00 31.30 ATOM 1501 HN GLU 90 15.279 -31.880 13.707 1.00 37.35 ATOM 1502 CA GLU 90 16.563 -33.146 12.591 1.00 31.12 ATOM 1503 HA GLU 90 17.539 -32.801 12.274 1.00 43.14 ATOM 1504 CB GLU 90 16.724 -33.959 13.877 1.00 4.05 ATOM 1505 HB1 GLU 90 17.332 -34.833 13.678 1.00 37.35 ATOM 1506 HB2 GLU 90 15.744 -34.287 14.198 1.00 44.43 ATOM 1507 CG GLU 90 17.344 -33.173 15.021 1.00 53.33 ATOM 1508 HG1 GLU 90 17.067 -33.650 15.949 1.00 37.35 ATOM 1509 HG2 GLU 90 16.970 -32.160 15.021 1.00 34.02 ATOM 1510 CD GLU 90 18.858 -33.128 14.946 1.00 75.44 ATOM 1511 OE1 GLU 90 19.481 -32.545 15.857 1.00 35.31 ATOM 1512 OE2 GLU 90 19.419 -33.678 13.975 1.00 40.34 ATOM 1513 C GLU 90 15.973 -34.025 11.492 1.00 63.02 ATOM 1514 O GLU 90 16.692 -34.507 10.616 1.00 21.41 ATOM 1515 N ILE 91 14.661 -34.229 11.545 1.00 4.42 ATOM 1516 HN ILE 91 14.140 -33.790 12.253 1.00 37.35 ATOM 1517 CA ILE 91 13.975 -35.048 10.555 1.00 61.55 ATOM 1518 HA ILE 91 14.395 -36.045 10.596 1.00 60.01 ATOM 1519 CB ILE 91 12.465 -35.138 10.846 1.00 44.43 ATOM 1520 HB ILE 91 12.040 -34.155 10.729 1.00 34.10 ATOM 1521 CG1 ILE 91 12.228 -35.615 12.280 1.00 52.41 ATOM 1522 HG11 ILE 91 11.164 -35.632 12.471 1.00 37.35 ATOM 1523 HG12 ILE 91 12.691 -34.941 12.980 1.00 24.35 ATOM 1524 CG2 ILE 91 11.789 -36.070 9.852 1.00 34.35 ATOM 1525 HG21 ILE 91 10.797 -36.316 10.193 1.00 5.12 ATOM 1526 HG22 ILE 91 12.362 -36.983 9.752 1.00 63.41 ATOM 1527 HG23 ILE 91 11.720 -35.584 8.890 1.00 20.10 ATOM 1528 CD1 ILE 91 12.759 -37.005 12.550 1.00 34.01 ATOM 1529 HD11 ILE 91 12.494 -37.287 13.553 1.00 65.01 ATOM 1530 HD12 ILE 91 13.832 -37.021 12.445 1.00 45.41 ATOM 1531 HD13 ILE 91 12.313 -37.704 11.862 1.00 73.41 ATOM 1532 C ILE 91 14.178 -34.496 9.148 1.00 64.02 ATOM 1533 O ILE 91 14.491 -35.238 8.216 1.00 44.00 ATOM 1534 N THR 92 14.000 -33.187 9.000 1.00 1.24 ATOM 1535 HN THR 92 13.747 -32.641 9.782 1.00 37.35 ATOM 1536 CA THR 92 14.164 -32.534 7.708 1.00 44.21 ATOM 1537 HA THR 92 13.534 -33.049 6.991 1.00 61.34 ATOM 1538 CB THR 92 13.748 -31.052 7.770 1.00 32.21 ATOM 1539 HB THR 92 14.533 -30.431 7.351 1.00 12.51 ATOM 1540 OG1 THR 92 13.536 -30.660 9.131 1.00 53.43 ATOM 1541 HG1 THR 92 13.652 -29.710 9.216 1.00 11.14 ATOM 1542 CG2 THR 92 12.480 -30.812 6.964 1.00 22.22 ATOM 1543 HG21 THR 92 11.787 -31.628 7.102 1.00 12.10 ATOM 1544 HG22 THR 92 12.733 -30.729 5.918 1.00 10.23 ATOM 1545 HG23 THR 92 12.022 -29.891 7.290 1.00 23.03 ATOM 1546 C THR 92 15.608 -32.624 7.226 1.00 73.33 ATOM 1547 O THR 92 15.868 -32.968 6.072 1.00 33.35 ATOM 1548 N LYS 93 16.544 -32.314 8.116 1.00 64.15 ATOM 1549 HN LYS 93 16.274 -32.041 9.025 1.00 37.35 ATOM 1550 CA LYS 93 17.963 -32.362 7.782 1.00 20.21 ATOM 1551 HA LYS 93 18.126 -31.699 6.940 1.00 3.33 ATOM 1552 CB LYS 93 18.804 -31.890 8.970 1.00 14.45 ATOM 1553 HB1 LYS 93 19.085 -32.742 9.578 1.00 37.35 ATOM 1554 HB2 LYS 93 18.209 -31.224 9.583 1.00 31.44 ATOM 1555 CG LYS 93 20.077 -31.167 8.566 1.00 54.31 ATOM 1556 HG1 LYS 93 20.412 -31.523 7.600 1.00 37.35 ATOM 1557 HG2 LYS 93 20.836 -31.378 9.306 1.00 23.25 ATOM 1558 CD LYS 93 19.866 -29.664 8.495 1.00 52.44 ATOM 1559 HD1 LYS 93 19.462 -29.319 9.439 1.00 37.35 ATOM 1560 HD2 LYS 93 19.166 -29.447 7.702 1.00 33.12 ATOM 1561 CE LYS 93 21.169 -28.931 8.214 1.00 54.33 ATOM 1562 HE1 LYS 93 21.231 -28.734 7.154 1.00 37.35 ATOM 1563 HE2 LYS 93 22.010 -29.544 8.514 1.00 42.24 ATOM 1564 NZ LYS 93 21.247 -27.637 8.947 1.00 34.12 ATOM 1565 HZ1 LYS 93 21.191 -27.799 9.974 1.00 34.33 ATOM 1566 HZ2 LYS 93 20.465 -27.011 8.662 1.00 61.34 ATOM 1567 HZ3 LYS 93 22.148 -27.162 8.733 1.00 0.11 ATOM 1568 C LYS 93 18.380 -33.773 7.380 1.00 30.31 ATOM 1569 O LYS 93 19.262 -33.955 6.542 1.00 73.33 ATOM 1570 N GLY 94 17.739 -34.770 7.983 1.00 14.32 ATOM 1571 HN GLY 94 17.054 -34.585 8.662 1.00 37.35 ATOM 1572 CA GLY 94 18.056 -36.151 7.674 1.00 62.55 ATOM 1573 HA1 GLY 94 17.376 -36.793 8.215 1.00 37.35 ATOM 1574 HA2 GLY 94 19.066 -36.362 7.997 1.00 72.33 ATOM 1575 C GLY 94 17.941 -36.455 6.193 1.00 44.11 ATOM 1576 O GLY 94 18.716 -37.245 5.652 1.00 72.35 ATOM 1577 N LEU 95 16.972 -35.828 5.536 1.00 43.35 ATOM 1578 HN LEU 95 16.415 -35.168 6.006 1.00 37.35 ATOM 1579 CA LEU 95 16.757 -36.036 4.108 1.00 43.13 ATOM 1580 HA LEU 95 17.165 -37.000 3.825 1.00 74.52 ATOM 1581 CB LEU 95 15.260 -36.039 3.792 1.00 4.44 ATOM 1582 HB1 LEU 95 15.101 -36.718 2.965 1.00 37.35 ATOM 1583 HB2 LEU 95 14.967 -35.054 3.471 1.00 75.12 ATOM 1584 CG LEU 95 14.335 -36.460 4.934 1.00 32.51 ATOM 1585 HG LEU 95 14.496 -35.824 5.789 1.00 64.25 ATOM 1586 CD1 LEU 95 12.878 -36.301 4.527 1.00 62.52 ATOM 1587 HD11 LEU 95 12.328 -35.880 5.353 1.00 15.11 ATOM 1588 HD12 LEU 95 12.448 -37.261 4.267 1.00 74.15 ATOM 1589 HD13 LEU 95 12.791 -35.643 3.677 1.00 31.10 ATOM 1590 CD2 LEU 95 14.621 -37.896 5.350 1.00 74.24 ATOM 1591 HD21 LEU 95 13.836 -38.264 5.998 1.00 40.43 ATOM 1592 HD22 LEU 95 15.563 -37.938 5.875 1.00 64.35 ATOM 1593 HD23 LEU 95 14.679 -38.509 4.468 1.00 61.45 ATOM 1594 C LEU 95 17.459 -34.958 3.288 1.00 2.34 ATOM 1595 O LEU 95 17.220 -34.822 2.089 1.00 5.33 ATOM 1596 N ASN 96 18.328 -34.195 3.944 1.00 13.24 ATOM 1597 HN ASN 96 18.512 -34.340 4.877 1.00 37.35 ATOM 1598 CA ASN 96 19.066 -33.129 3.276 1.00 21.32 ATOM 1599 HA ASN 96 19.734 -32.692 4.006 1.00 65.55 ATOM 1600 CB ASN 96 19.881 -33.697 2.113 1.00 62.53 ATOM 1601 HB1 ASN 96 19.261 -33.802 1.232 1.00 37.35 ATOM 1602 HB2 ASN 96 20.259 -34.671 2.391 1.00 64.01 ATOM 1603 CG ASN 96 21.070 -32.825 1.759 1.00 23.04 ATOM 1604 OD1 ASN 96 21.139 -32.263 0.666 1.00 11.02 ATOM 1605 ND2 ASN 96 22.014 -32.708 2.686 1.00 64.51 ATOM 1606 HD21 ASN 96 21.906 -33.180 3.543 1.00 71.13 ATOM 1607 HD22 ASN 96 22.791 -32.149 2.477 1.00 11.11 ATOM 1608 C ASN 96 18.119 -32.047 2.767 1.00 34.23 ATOM 1609 O ASN 96 18.206 -31.622 1.614 1.00 33.15 ATOM 1610 N LEU 97 17.214 -31.605 3.634 1.00 24.03 ATOM 1611 HN LEU 97 17.198 -31.967 4.551 1.00 37.35 ATOM 1612 CA LEU 97 16.250 -30.571 3.274 1.00 62.32 ATOM 1613 HA LEU 97 16.244 -30.475 2.197 1.00 51.22 ATOM 1614 CB LEU 97 14.846 -30.977 3.724 1.00 74.34 ATOM 1615 HB1 LEU 97 14.138 -30.301 3.274 1.00 37.35 ATOM 1616 HB2 LEU 97 14.787 -30.862 4.801 1.00 12.21 ATOM 1617 CG LEU 97 14.421 -32.407 3.389 1.00 73.43 ATOM 1618 HG LEU 97 15.049 -33.091 3.924 1.00 13.44 ATOM 1619 CD1 LEU 97 12.982 -32.651 3.816 1.00 13.31 ATOM 1620 HD11 LEU 97 12.657 -33.619 3.475 1.00 32.11 ATOM 1621 HD12 LEU 97 12.339 -31.892 3.392 1.00 12.21 ATOM 1622 HD13 LEU 97 12.918 -32.615 4.892 1.00 63.51 ATOM 1623 CD2 LEU 97 14.591 -32.680 1.901 1.00 15.22 ATOM 1624 HD21 LEU 97 15.633 -32.597 1.630 1.00 55.13 ATOM 1625 HD22 LEU 97 14.013 -31.967 1.330 1.00 32.42 ATOM 1626 HD23 LEU 97 14.246 -33.681 1.674 1.00 71.51 ATOM 1627 C LEU 97 16.629 -29.232 3.898 1.00 41.14 ATOM 1628 O LEU 97 17.278 -29.167 4.942 1.00 41.02 ATOM 1629 N PRO 98 16.213 -28.136 3.245 1.00 23.31 ATOM 1630 CA PRO 98 16.495 -26.778 3.719 1.00 61.01 ATOM 1631 HA PRO 98 17.555 -26.633 3.880 1.00 2.23 ATOM 1632 CB PRO 98 16.034 -25.894 2.557 1.00 25.31 ATOM 1633 HB1 PRO 98 16.874 -25.688 1.911 1.00 37.35 ATOM 1634 HB2 PRO 98 15.622 -24.960 2.921 1.00 30.31 ATOM 1635 CG PRO 98 15.005 -26.706 1.849 1.00 41.40 ATOM 1636 HG1 PRO 98 14.982 -26.432 0.805 1.00 37.35 ATOM 1637 HG2 PRO 98 14.059 -26.545 2.287 1.00 73.45 ATOM 1638 CD PRO 98 15.435 -28.139 1.995 1.00 65.13 ATOM 1639 HD1 PRO 98 16.047 -28.441 1.159 1.00 37.35 ATOM 1640 HD2 PRO 98 14.579 -28.772 2.087 1.00 61.12 ATOM 1641 C PRO 98 15.723 -26.435 4.988 1.00 14.11 ATOM 1642 O PRO 98 14.517 -26.670 5.077 1.00 60.31 ATOM 1643 N THR 99 16.424 -25.876 5.970 1.00 60.33 ATOM 1644 HN THR 99 17.380 -25.712 5.828 1.00 37.35 ATOM 1645 CA THR 99 15.804 -25.501 7.234 1.00 22.33 ATOM 1646 HA THR 99 15.102 -26.276 7.519 1.00 42.33 ATOM 1647 CB THR 99 16.851 -25.377 8.358 1.00 52.43 ATOM 1648 HB THR 99 17.277 -26.354 8.541 1.00 41.35 ATOM 1649 OG1 THR 99 16.228 -24.904 9.557 1.00 11.32 ATOM 1650 HG1 THR 99 16.741 -25.183 10.320 1.00 63.21 ATOM 1651 CG2 THR 99 17.969 -24.428 7.953 1.00 52.12 ATOM 1652 HG21 THR 99 18.581 -24.886 7.194 1.00 22.10 ATOM 1653 HG22 THR 99 18.582 -24.220 8.817 1.00 53.55 ATOM 1654 HG23 THR 99 17.564 -23.499 7.579 1.00 21.22 ATOM 1655 C THR 99 15.052 -24.182 7.108 1.00 54.32 ATOM 1656 O THR 99 14.213 -23.851 7.946 1.00 22.43 ATOM 1657 N SER 100 15.356 -23.431 6.054 1.00 51.10 ATOM 1658 HN SER 100 16.045 -23.730 5.419 1.00 37.35 ATOM 1659 CA SER 100 14.710 -22.145 5.819 1.00 13.15 ATOM 1660 HA SER 100 14.882 -21.518 6.684 1.00 22.32 ATOM 1661 CB SER 100 15.314 -21.463 4.590 1.00 22.15 ATOM 1662 HB1 SER 100 15.495 -22.199 3.819 1.00 37.35 ATOM 1663 HB2 SER 100 16.246 -20.993 4.864 1.00 2.43 ATOM 1664 OG SER 100 14.440 -20.474 4.075 1.00 45.32 ATOM 1665 HG SER 100 14.833 -20.073 3.297 1.00 12.21 ATOM 1666 C SER 100 13.206 -22.319 5.630 1.00 32.04 ATOM 1667 O SER 100 12.438 -21.367 5.768 1.00 13.43 ATOM 1668 N ILE 101 12.794 -23.542 5.314 1.00 55.22 ATOM 1669 HN ILE 101 13.446 -24.253 5.178 1.00 37.35 ATOM 1670 CA ILE 101 11.382 -23.842 5.107 1.00 42.24 ATOM 1671 HA ILE 101 11.073 -23.342 4.196 1.00 21.01 ATOM 1672 CB ILE 101 11.148 -25.354 4.929 1.00 42.40 ATOM 1673 HB ILE 101 11.489 -25.855 5.821 1.00 41.43 ATOM 1674 CG1 ILE 101 11.947 -25.879 3.734 1.00 3.45 ATOM 1675 HG11 ILE 101 12.963 -25.540 3.788 1.00 37.35 ATOM 1676 HG12 ILE 101 11.509 -25.504 2.819 1.00 71.04 ATOM 1677 CG2 ILE 101 9.665 -25.643 4.749 1.00 4.54 ATOM 1678 HG21 ILE 101 9.288 -25.092 3.899 1.00 25.12 ATOM 1679 HG22 ILE 101 9.119 -25.355 5.634 1.00 53.13 ATOM 1680 HG23 ILE 101 9.512 -26.698 4.583 1.00 14.20 ATOM 1681 CD1 ILE 101 11.972 -27.388 3.640 1.00 33.13 ATOM 1682 HD11 ILE 101 12.558 -27.694 2.791 1.00 62.14 ATOM 1683 HD12 ILE 101 10.967 -27.759 3.522 1.00 51.35 ATOM 1684 HD13 ILE 101 12.401 -27.799 4.541 1.00 32.23 ATOM 1685 C ILE 101 10.537 -23.341 6.273 1.00 31.50 ATOM 1686 O ILE 101 10.719 -23.767 7.414 1.00 2.54 ATOM 1687 N THR 102 9.609 -22.436 5.979 1.00 71.12 ATOM 1688 HN THR 102 9.500 -22.139 5.044 1.00 37.35 ATOM 1689 CA THR 102 8.734 -21.878 7.002 1.00 1.22 ATOM 1690 HA THR 102 9.352 -21.629 7.862 1.00 25.32 ATOM 1691 CB THR 102 8.042 -20.593 6.510 1.00 51.04 ATOM 1692 HB THR 102 7.086 -20.842 6.063 1.00 5.31 ATOM 1693 OG1 THR 102 8.848 -19.953 5.514 1.00 30.00 ATOM 1694 HG1 THR 102 9.717 -19.721 5.868 1.00 74.22 ATOM 1695 CG2 THR 102 7.797 -19.634 7.664 1.00 13.44 ATOM 1696 HG21 THR 102 7.312 -18.743 7.293 1.00 23.21 ATOM 1697 HG22 THR 102 8.740 -19.365 8.119 1.00 52.11 ATOM 1698 HG23 THR 102 7.163 -20.107 8.400 1.00 34.30 ATOM 1699 C THR 102 7.670 -22.884 7.425 1.00 24.51 ATOM 1700 O THR 102 7.042 -23.528 6.585 1.00 63.14 ATOM 1701 N SER 103 7.473 -23.015 8.733 1.00 74.20 ATOM 1702 HN SER 103 7.999 -22.475 9.366 1.00 37.35 ATOM 1703 CA SER 103 6.486 -23.947 9.268 1.00 41.55 ATOM 1704 HA SER 103 6.532 -23.896 10.346 1.00 1.32 ATOM 1705 CB SER 103 5.081 -23.552 8.810 1.00 54.10 ATOM 1706 HB1 SER 103 5.031 -22.483 8.656 1.00 37.35 ATOM 1707 HB2 SER 103 4.368 -23.837 9.569 1.00 3.43 ATOM 1708 OG SER 103 4.736 -24.205 7.600 1.00 10.44 ATOM 1709 HG SER 103 3.833 -23.983 7.363 1.00 21.40 ATOM 1710 C SER 103 6.794 -25.375 8.829 1.00 52.14 ATOM 1711 O SER 103 5.902 -26.220 8.757 1.00 12.34 ATOM 1712 N ALA 104 8.063 -25.637 8.535 1.00 3.43 ATOM 1713 HN ALA 104 8.750 -24.944 8.654 1.00 37.35 ATOM 1714 CA ALA 104 8.490 -26.962 8.105 1.00 24.23 ATOM 1715 HA ALA 104 8.060 -27.153 7.132 1.00 74.53 ATOM 1716 CB ALA 104 10.005 -27.010 7.969 1.00 60.23 ATOM 1717 HB1 ALA 104 10.333 -26.157 7.413 1.00 14.43 ATOM 1718 HB2 ALA 104 10.293 -27.911 7.449 1.00 61.21 ATOM 1719 HB3 ALA 104 10.465 -26.995 8.949 1.00 11.01 ATOM 1720 C ALA 104 8.011 -28.036 9.076 1.00 14.54 ATOM 1721 O ALA 104 7.603 -29.121 8.665 1.00 54.04 ATOM 1722 N ALA 105 8.063 -27.725 10.368 1.00 42.14 ATOM 1723 HN ALA 105 8.409 -26.843 10.643 1.00 37.35 ATOM 1724 CA ALA 105 7.633 -28.663 11.397 1.00 13.40 ATOM 1725 HA ALA 105 8.173 -29.592 11.258 1.00 32.41 ATOM 1726 CB ALA 105 7.977 -28.125 12.778 1.00 14.31 ATOM 1727 HB1 ALA 105 7.731 -27.073 12.824 1.00 72.23 ATOM 1728 HB2 ALA 105 9.032 -28.250 12.959 1.00 32.04 ATOM 1729 HB3 ALA 105 7.419 -28.649 13.537 1.00 11.45 ATOM 1730 C ALA 105 6.137 -28.943 11.294 1.00 43.13 ATOM 1731 O ALA 105 5.686 -30.060 11.546 1.00 30.22 ATOM 1732 N PHE 106 5.373 -27.921 10.922 1.00 70.44 ATOM 1733 HN PHE 106 5.783 -27.044 10.747 1.00 37.35 ATOM 1734 CA PHE 106 3.927 -28.058 10.787 1.00 44.34 ATOM 1735 HA PHE 106 3.560 -28.607 11.649 1.00 33.44 ATOM 1736 CB PHE 106 3.265 -26.679 10.750 1.00 10.14 ATOM 1737 HB1 PHE 106 3.253 -26.302 9.732 1.00 37.35 ATOM 1738 HB2 PHE 106 3.848 -25.995 11.358 1.00 15.34 ATOM 1739 CG PHE 106 1.859 -26.675 11.279 1.00 21.21 ATOM 1740 CD1 PHE 106 0.779 -26.743 10.414 1.00 42.53 ATOM 1741 HD1 PHE 106 0.951 -26.799 9.348 1.00 42.53 ATOM 1742 CD2 PHE 106 1.618 -26.604 12.642 1.00 54.24 ATOM 1743 HD2 PHE 106 2.450 -26.551 13.331 1.00 74.41 ATOM 1744 CE1 PHE 106 -0.516 -26.740 10.897 1.00 42.30 ATOM 1745 HE1 PHE 106 -1.349 -26.793 10.212 1.00 33.01 ATOM 1746 CE2 PHE 106 0.325 -26.601 13.131 1.00 71.03 ATOM 1747 HE2 PHE 106 0.150 -26.545 14.195 1.00 71.43 ATOM 1748 CZ PHE 106 -0.743 -26.668 12.257 1.00 10.23 ATOM 1749 HZ PHE 106 -1.754 -26.665 12.637 1.00 62.10 ATOM 1750 C PHE 106 3.570 -28.839 9.526 1.00 62.33 ATOM 1751 O PHE 106 2.614 -29.615 9.512 1.00 70.35 ATOM 1752 N THR 107 4.345 -28.629 8.466 1.00 5.34 ATOM 1753 HN THR 107 5.093 -27.990 8.526 1.00 37.35 ATOM 1754 CA THR 107 4.111 -29.311 7.200 1.00 2.20 ATOM 1755 HA THR 107 3.056 -29.228 6.961 1.00 42.11 ATOM 1756 CB THR 107 4.916 -28.665 6.057 1.00 43.14 ATOM 1757 HB THR 107 5.970 -28.838 6.229 1.00 54.23 ATOM 1758 OG1 THR 107 4.682 -27.252 6.030 1.00 63.52 ATOM 1759 HG1 THR 107 5.425 -26.809 5.612 1.00 2.02 ATOM 1760 CG2 THR 107 4.535 -29.273 4.715 1.00 13.14 ATOM 1761 HG21 THR 107 3.463 -29.219 4.578 1.00 73.34 ATOM 1762 HG22 THR 107 4.852 -30.304 4.675 1.00 65.53 ATOM 1763 HG23 THR 107 5.022 -28.721 3.925 1.00 25.23 ATOM 1764 C THR 107 4.479 -30.787 7.294 1.00 21.14 ATOM 1765 O THR 107 3.757 -31.651 6.794 1.00 1.32 ATOM 1766 N LEU 108 5.605 -31.071 7.939 1.00 64.20 ATOM 1767 HN LEU 108 6.148 -30.338 8.315 1.00 37.35 ATOM 1768 CA LEU 108 6.069 -32.445 8.100 1.00 42.10 ATOM 1769 HA LEU 108 6.093 -32.912 7.124 1.00 14.12 ATOM 1770 CB LEU 108 7.482 -32.462 8.686 1.00 43.44 ATOM 1771 HB1 LEU 108 7.771 -33.494 8.857 1.00 37.35 ATOM 1772 HB2 LEU 108 7.432 -31.967 9.650 1.00 21.21 ATOM 1773 CG LEU 108 8.565 -31.785 7.845 1.00 44.13 ATOM 1774 HG LEU 108 8.146 -30.933 7.332 1.00 62.32 ATOM 1775 CD1 LEU 108 9.697 -31.289 8.731 1.00 3.00 ATOM 1776 HD11 LEU 108 10.210 -30.496 8.223 1.00 0.02 ATOM 1777 HD12 LEU 108 10.391 -32.091 8.945 1.00 0.04 ATOM 1778 HD13 LEU 108 9.303 -30.904 9.663 1.00 62.35 ATOM 1779 CD2 LEU 108 9.094 -32.742 6.786 1.00 4.23 ATOM 1780 HD21 LEU 108 9.841 -32.242 6.185 1.00 64.15 ATOM 1781 HD22 LEU 108 8.282 -33.062 6.148 1.00 33.21 ATOM 1782 HD23 LEU 108 9.537 -33.606 7.263 1.00 40.05 ATOM 1783 C LEU 108 5.125 -33.237 8.998 1.00 13.25 ATOM 1784 O LEU 108 4.806 -34.392 8.716 1.00 24.01 ATOM 1785 N ARG 109 4.678 -32.607 10.080 1.00 5.13 ATOM 1786 HN ARG 109 4.977 -31.685 10.263 1.00 37.35 ATOM 1787 CA ARG 109 3.769 -33.252 11.020 1.00 63.33 ATOM 1788 HA ARG 109 4.260 -34.113 11.428 1.00 65.43 ATOM 1789 CB ARG 109 3.405 -32.290 12.152 1.00 74.50 ATOM 1790 HB1 ARG 109 2.831 -31.467 11.750 1.00 37.35 ATOM 1791 HB2 ARG 109 4.325 -31.895 12.563 1.00 13.41 ATOM 1792 CG ARG 109 2.639 -32.949 13.288 1.00 74.24 ATOM 1793 HG1 ARG 109 2.892 -32.445 14.208 1.00 37.35 ATOM 1794 HG2 ARG 109 2.912 -33.991 13.358 1.00 63.14 ATOM 1795 CD ARG 109 1.136 -32.843 13.081 1.00 72.30 ATOM 1796 HD1 ARG 109 0.650 -33.313 13.917 1.00 37.35 ATOM 1797 HD2 ARG 109 0.869 -33.369 12.184 1.00 51.05 ATOM 1798 NE ARG 109 0.692 -31.455 12.993 1.00 11.31 ATOM 1799 HE ARG 109 1.302 -30.754 13.322 1.00 23.41 ATOM 1800 CZ ARG 109 -0.487 -31.090 12.501 1.00 44.33 ATOM 1801 NH1 ARG 109 -1.335 -32.006 12.055 1.00 50.32 ATOM 1802 HH11 ARG 109 -1.116 -32.973 12.078 1.00 41.14 ATOM 1803 HH12 ARG 109 -2.221 -31.719 11.684 1.00 73.34 ATOM 1804 NH2 ARG 109 -0.819 -29.806 12.454 1.00 3.22 ATOM 1805 HH21 ARG 109 -0.180 -29.131 12.792 1.00 62.43 ATOM 1806 HH22 ARG 109 -1.704 -29.519 12.082 1.00 25.14 ATOM 1807 C ARG 109 2.503 -33.726 10.312 1.00 11.14 ATOM 1808 O ARG 109 2.061 -34.860 10.499 1.00 62.33 ATOM 1809 N THR 110 1.922 -32.849 9.500 1.00 52.33 ATOM 1810 HN THR 110 2.321 -31.953 9.387 1.00 37.35 ATOM 1811 CA THR 110 0.706 -33.176 8.766 1.00 52.31 ATOM 1812 HA THR 110 0.017 -33.667 9.445 1.00 21.51 ATOM 1813 CB THR 110 0.018 -31.908 8.225 1.00 60.01 ATOM 1814 HB THR 110 0.712 -31.385 7.580 1.00 23.20 ATOM 1815 OG1 THR 110 -0.348 -31.048 9.310 1.00 62.21 ATOM 1816 HG1 THR 110 -0.409 -30.141 8.998 1.00 22.23 ATOM 1817 CG2 THR 110 -1.219 -32.267 7.416 1.00 34.01 ATOM 1818 HG21 THR 110 -1.819 -31.380 7.276 1.00 35.24 ATOM 1819 HG22 THR 110 -1.804 -33.012 7.939 1.00 51.13 ATOM 1820 HG23 THR 110 -0.926 -32.650 6.449 1.00 24.03 ATOM 1821 C THR 110 1.001 -34.115 7.603 1.00 64.53 ATOM 1822 O THR 110 0.366 -35.160 7.461 1.00 65.12 ATOM 1823 N GLN 111 1.969 -33.737 6.774 1.00 62.42 ATOM 1824 HN GLN 111 2.439 -32.886 6.939 1.00 37.35 ATOM 1825 CA GLN 111 2.348 -34.548 5.623 1.00 42.05 ATOM 1826 HA GLN 111 1.505 -34.592 4.966 1.00 41.40 ATOM 1827 CB GLN 111 3.548 -33.925 4.907 1.00 62.43 ATOM 1828 HB1 GLN 111 3.999 -34.666 4.257 1.00 37.35 ATOM 1829 HB2 GLN 111 4.279 -33.620 5.636 1.00 42.21 ATOM 1830 CG GLN 111 3.188 -32.726 4.046 1.00 54.53 ATOM 1831 HG1 GLN 111 4.063 -32.422 3.491 1.00 37.35 ATOM 1832 HG2 GLN 111 2.870 -31.919 4.684 1.00 41.24 ATOM 1833 CD GLN 111 2.073 -33.026 3.063 1.00 63.32 ATOM 1834 OE1 GLN 111 1.867 -34.176 2.673 1.00 64.02 ATOM 1835 NE2 GLN 111 1.347 -31.992 2.656 1.00 12.24 ATOM 1836 HE21 GLN 111 1.557 -31.094 3.000 1.00 0.04 ATOM 1837 HE22 GLN 111 0.622 -32.166 2.021 1.00 72.34 ATOM 1838 C GLN 111 2.679 -35.975 6.047 1.00 75.23 ATOM 1839 O GLN 111 2.405 -36.929 5.318 1.00 61.12 ATOM 1840 N TYR 112 3.268 -36.114 7.229 1.00 61.12 ATOM 1841 HN TYR 112 3.476 -35.316 7.769 1.00 37.35 ATOM 1842 CA TYR 112 3.638 -37.425 7.749 1.00 64.02 ATOM 1843 HA TYR 112 4.105 -37.991 6.952 1.00 62.41 ATOM 1844 CB TYR 112 4.642 -37.278 8.894 1.00 40.23 ATOM 1845 HB1 TYR 112 4.249 -36.571 9.612 1.00 37.35 ATOM 1846 HB2 TYR 112 5.573 -36.893 8.498 1.00 63.22 ATOM 1847 CG TYR 112 4.928 -38.574 9.619 1.00 50.43 ATOM 1848 CD1 TYR 112 4.159 -38.969 10.706 1.00 1.53 ATOM 1849 HD1 TYR 112 3.348 -38.337 11.034 1.00 63.45 ATOM 1850 CD2 TYR 112 5.967 -39.403 9.215 1.00 72.40 ATOM 1851 HD2 TYR 112 6.570 -39.124 8.385 1.00 12.41 ATOM 1852 CE1 TYR 112 4.417 -40.151 11.372 1.00 64.11 ATOM 1853 HE1 TYR 112 3.812 -40.450 12.197 1.00 53.42 ATOM 1854 CE2 TYR 112 6.231 -40.589 9.874 1.00 45.43 ATOM 1855 HE2 TYR 112 7.040 -41.217 9.545 1.00 15.53 ATOM 1856 CZ TYR 112 5.454 -40.958 10.952 1.00 44.32 ATOM 1857 OH TYR 112 5.714 -42.137 11.611 1.00 30.33 ATOM 1858 HH TYR 112 6.514 -42.047 12.138 1.00 54.43 ATOM 1859 C TYR 112 2.408 -38.187 8.231 1.00 20.30 ATOM 1860 O TYR 112 2.121 -39.287 7.759 1.00 52.35 ATOM 1861 N MET 113 1.685 -37.594 9.175 1.00 52.11 ATOM 1862 HN MET 113 1.968 -36.711 9.516 1.00 37.35 ATOM 1863 CA MET 113 0.484 -38.215 9.721 1.00 74.33 ATOM 1864 HA MET 113 0.774 -39.138 10.192 1.00 21.22 ATOM 1865 CB MET 113 -0.156 -37.304 10.770 1.00 22.34 ATOM 1866 HB1 MET 113 -0.785 -36.575 10.272 1.00 37.35 ATOM 1867 HB2 MET 113 0.631 -36.777 11.296 1.00 70.05 ATOM 1868 CG MET 113 -0.978 -38.054 11.806 1.00 60.10 ATOM 1869 HG1 MET 113 -0.330 -38.331 12.625 1.00 37.35 ATOM 1870 HG2 MET 113 -1.394 -38.949 11.360 1.00 32.33 ATOM 1871 SD MET 113 -2.338 -37.068 12.460 1.00 53.42 ATOM 1872 CE MET 113 -1.478 -35.563 12.913 1.00 32.32 ATOM 1873 HE1 MET 113 -1.048 -35.113 12.033 1.00 2.33 ATOM 1874 HE2 MET 113 -0.695 -35.793 13.620 1.00 64.34 ATOM 1875 HE3 MET 113 -2.177 -34.873 13.361 1.00 23.52 ATOM 1876 C MET 113 -0.522 -38.520 8.615 1.00 44.45 ATOM 1877 O MET 113 -1.405 -39.361 8.779 1.00 73.14 ATOM 1878 N LYS 114 -0.381 -37.830 7.488 1.00 54.24 ATOM 1879 HN LYS 114 0.286 -37.114 7.429 1.00 37.35 ATOM 1880 CA LYS 114 -1.276 -38.026 6.353 1.00 32.43 ATOM 1881 HA LYS 114 -2.289 -37.840 6.689 1.00 4.04 ATOM 1882 CB LYS 114 -0.926 -37.052 5.226 1.00 20.03 ATOM 1883 HB1 LYS 114 -1.083 -37.542 4.273 1.00 37.35 ATOM 1884 HB2 LYS 114 0.110 -36.777 5.302 1.00 60.02 ATOM 1885 CG LYS 114 -1.753 -35.778 5.244 1.00 34.44 ATOM 1886 HG1 LYS 114 -1.568 -35.247 6.161 1.00 37.35 ATOM 1887 HG2 LYS 114 -2.801 -36.040 5.192 1.00 0.23 ATOM 1888 CD LYS 114 -1.411 -34.874 4.072 1.00 21.31 ATOM 1889 HD1 LYS 114 -0.351 -34.680 4.065 1.00 37.35 ATOM 1890 HD2 LYS 114 -1.944 -33.942 4.190 1.00 40.05 ATOM 1891 CE LYS 114 -1.806 -35.506 2.746 1.00 35.55 ATOM 1892 HE1 LYS 114 -2.654 -36.165 2.890 1.00 37.35 ATOM 1893 HE2 LYS 114 -0.973 -36.074 2.375 1.00 61.42 ATOM 1894 NZ LYS 114 -2.172 -34.481 1.730 1.00 34.23 ATOM 1895 HZ1 LYS 114 -1.366 -33.846 1.550 1.00 21.51 ATOM 1896 HZ2 LYS 114 -2.980 -33.914 2.062 1.00 52.24 ATOM 1897 HZ3 LYS 114 -2.437 -34.945 0.838 1.00 60.52 ATOM 1898 C LYS 114 -1.199 -39.461 5.841 1.00 23.25 ATOM 1899 O LYS 114 -2.220 -40.129 5.681 1.00 33.44 ATOM 1900 N TYR 115 0.018 -39.929 5.588 1.00 44.11 ATOM 1901 HN TYR 115 0.804 -39.355 5.746 1.00 37.35 ATOM 1902 CA TYR 115 0.229 -41.284 5.093 1.00 34.44 ATOM 1903 HA TYR 115 -0.717 -41.696 4.763 1.00 20.21 ATOM 1904 CB TYR 115 1.185 -41.272 3.900 1.00 43.21 ATOM 1905 HB1 TYR 115 1.221 -42.249 3.453 1.00 37.35 ATOM 1906 HB2 TYR 115 2.180 -41.020 4.251 1.00 32.21 ATOM 1907 CG TYR 115 0.811 -40.267 2.834 1.00 13.33 ATOM 1908 CD1 TYR 115 0.090 -40.652 1.711 1.00 53.42 ATOM 1909 HD1 TYR 115 -0.203 -41.682 1.597 1.00 73.21 ATOM 1910 CD2 TYR 115 1.177 -38.931 2.952 1.00 63.54 ATOM 1911 HD2 TYR 115 1.737 -38.616 3.815 1.00 64.23 ATOM 1912 CE1 TYR 115 -0.254 -39.737 0.735 1.00 41.35 ATOM 1913 HE1 TYR 115 -0.815 -40.057 -0.131 1.00 13.50 ATOM 1914 CE2 TYR 115 0.837 -38.009 1.981 1.00 72.31 ATOM 1915 HE2 TYR 115 1.132 -36.976 2.090 1.00 52.34 ATOM 1916 CZ TYR 115 0.122 -38.417 0.874 1.00 13.11 ATOM 1917 OH TYR 115 -0.220 -37.502 -0.096 1.00 21.24 ATOM 1918 HH TYR 115 -1.161 -37.307 -0.045 1.00 54.41 ATOM 1919 C TYR 115 0.781 -42.186 6.193 1.00 4.11 ATOM 1920 O TYR 115 0.231 -43.251 6.475 1.00 73.12 ATOM 1921 N LEU 116 1.873 -41.751 6.812 1.00 4.01 ATOM 1922 HN LEU 116 2.262 -40.881 6.554 1.00 37.35 ATOM 1923 CA LEU 116 2.502 -42.517 7.882 1.00 5.15 ATOM 1924 HA LEU 116 2.370 -43.573 7.668 1.00 71.41 ATOM 1925 CB LEU 116 4.003 -42.226 7.931 1.00 44.34 ATOM 1926 HB1 LEU 116 4.462 -42.905 8.638 1.00 37.35 ATOM 1927 HB2 LEU 116 4.123 -41.216 8.301 1.00 54.34 ATOM 1928 CG LEU 116 4.750 -42.328 6.600 1.00 52.51 ATOM 1929 HG LEU 116 4.235 -41.739 5.855 1.00 52.13 ATOM 1930 CD1 LEU 116 6.159 -41.773 6.735 1.00 44.32 ATOM 1931 HD11 LEU 116 6.108 -40.702 6.839 1.00 13.22 ATOM 1932 HD12 LEU 116 6.738 -42.013 5.852 1.00 71.42 ATOM 1933 HD13 LEU 116 6.640 -42.193 7.604 1.00 13.32 ATOM 1934 CD2 LEU 116 4.786 -43.770 6.118 1.00 25.50 ATOM 1935 HD21 LEU 116 5.326 -43.829 5.183 1.00 62.03 ATOM 1936 HD22 LEU 116 3.777 -44.117 5.965 1.00 74.41 ATOM 1937 HD23 LEU 116 5.275 -44.392 6.856 1.00 10.21 ATOM 1938 C LEU 116 1.867 -42.193 9.230 1.00 15.44 ATOM 1939 O LEU 116 1.828 -41.035 9.648 1.00 41.23 ATOM 1940 N TYR 117 1.371 -43.222 9.908 1.00 73.13 ATOM 1941 HN TYR 117 1.499 -44.134 9.554 1.00 37.35 ATOM 1942 CA TYR 117 0.736 -43.047 11.209 1.00 43.23 ATOM 1943 HA TYR 117 1.480 -42.669 11.896 1.00 30.13 ATOM 1944 CB TYR 117 -0.408 -42.037 11.110 1.00 52.24 ATOM 1945 HB1 TYR 117 -0.840 -42.040 10.123 1.00 37.35 ATOM 1946 HB2 TYR 117 0.004 -41.054 11.294 1.00 0.32 ATOM 1947 CG TYR 117 -1.495 -42.250 12.139 1.00 71.43 ATOM 1948 CD1 TYR 117 -2.823 -42.392 11.756 1.00 13.45 ATOM 1949 HD1 TYR 117 -3.083 -42.340 10.709 1.00 74.55 ATOM 1950 CD2 TYR 117 -1.193 -42.312 13.494 1.00 53.13 ATOM 1951 HD2 TYR 117 -0.165 -42.205 13.812 1.00 71.01 ATOM 1952 CE1 TYR 117 -3.819 -42.586 12.694 1.00 75.05 ATOM 1953 HE1 TYR 117 -4.846 -42.694 12.376 1.00 74.04 ATOM 1954 CE2 TYR 117 -2.183 -42.508 14.438 1.00 41.43 ATOM 1955 HE2 TYR 117 -1.928 -42.553 15.486 1.00 61.44 ATOM 1956 CZ TYR 117 -3.494 -42.644 14.033 1.00 53.53 ATOM 1957 OH TYR 117 -4.484 -42.839 14.969 1.00 4.52 ATOM 1958 HH TYR 117 -4.788 -43.751 14.938 1.00 53.10 ATOM 1959 C TYR 117 0.211 -44.376 11.742 1.00 25.25 ATOM 1960 O TYR 117 0.585 -44.832 12.824 1.00 50.53 ATOM 1961 N PRO 118 -0.676 -45.015 10.966 1.00 70.30 ATOM 1962 CA PRO 118 -1.271 -46.302 11.338 1.00 33.21 ATOM 1963 HA PRO 118 -1.721 -46.262 12.320 1.00 21.00 ATOM 1964 CB PRO 118 -2.360 -46.508 10.282 1.00 60.10 ATOM 1965 HB1 PRO 118 -3.294 -46.121 10.661 1.00 37.35 ATOM 1966 HB2 PRO 118 -2.481 -47.555 10.045 1.00 54.24 ATOM 1967 CG PRO 118 -1.901 -45.718 9.105 1.00 25.34 ATOM 1968 HG1 PRO 118 -2.749 -45.386 8.530 1.00 37.35 ATOM 1969 HG2 PRO 118 -1.241 -46.315 8.494 1.00 22.14 ATOM 1970 CD PRO 118 -1.166 -44.531 9.665 1.00 74.13 ATOM 1971 HD1 PRO 118 -1.854 -43.728 9.770 1.00 37.35 ATOM 1972 HD2 PRO 118 -0.375 -44.266 8.997 1.00 12.11 ATOM 1973 C PRO 118 -0.261 -47.443 11.291 1.00 20.42 ATOM 1974 O PRO 118 -0.384 -48.425 12.025 1.00 44.51 ATOM 1975 N TYR 119 0.737 -47.309 10.425 1.00 51.51 ATOM 1976 HN TYR 119 0.785 -46.507 9.855 1.00 37.35 ATOM 1977 CA TYR 119 1.768 -48.330 10.281 1.00 14.32 ATOM 1978 HA TYR 119 1.275 -49.284 10.196 1.00 43.41 ATOM 1979 CB TYR 119 2.607 -48.065 9.030 1.00 55.01 ATOM 1980 HB1 TYR 119 3.327 -47.279 9.232 1.00 37.35 ATOM 1981 HB2 TYR 119 1.950 -47.738 8.234 1.00 42.51 ATOM 1982 CG TYR 119 3.345 -49.285 8.527 1.00 42.42 ATOM 1983 CD1 TYR 119 4.701 -49.226 8.230 1.00 24.01 ATOM 1984 HD1 TYR 119 5.232 -48.293 8.363 1.00 21.01 ATOM 1985 CD2 TYR 119 2.687 -50.495 8.347 1.00 1.04 ATOM 1986 HD2 TYR 119 1.641 -50.568 8.575 1.00 3.13 ATOM 1987 CE1 TYR 119 5.380 -50.338 7.770 1.00 45.55 ATOM 1988 HE1 TYR 119 6.429 -50.278 7.549 1.00 12.43 ATOM 1989 CE2 TYR 119 3.358 -51.612 7.889 1.00 44.22 ATOM 1990 HE2 TYR 119 2.828 -52.544 7.757 1.00 24.03 ATOM 1991 CZ TYR 119 4.705 -51.528 7.601 1.00 33.11 ATOM 1992 OH TYR 119 5.377 -52.638 7.143 1.00 73.03 ATOM 1993 HH TYR 119 5.946 -52.985 7.837 1.00 14.12 ATOM 1994 C TYR 119 2.669 -48.371 11.512 1.00 75.33 ATOM 1995 O TYR 119 3.095 -49.441 11.945 1.00 3.23 ATOM 1996 N GLU 120 2.952 -47.198 12.069 1.00 24.32 ATOM 1997 HN GLU 120 2.589 -46.370 11.676 1.00 37.35 ATOM 1998 CA GLU 120 3.803 -47.100 13.250 1.00 74.22 ATOM 1999 HA GLU 120 4.691 -47.698 13.080 1.00 12.55 ATOM 2000 CB GLU 120 4.226 -45.648 13.482 1.00 71.24 ATOM 2001 HB1 GLU 120 3.346 -45.055 13.701 1.00 37.35 ATOM 2002 HB2 GLU 120 4.669 -45.269 12.576 1.00 24.14 ATOM 2003 CG GLU 120 5.233 -45.480 14.607 1.00 63.04 ATOM 2004 HG1 GLU 120 5.885 -44.655 14.359 1.00 37.35 ATOM 2005 HG2 GLU 120 5.826 -46.381 14.705 1.00 43.54 ATOM 2006 CD GLU 120 4.575 -45.182 15.940 1.00 52.04 ATOM 2007 OE1 GLU 120 4.891 -45.878 16.927 1.00 3.40 ATOM 2008 OE2 GLU 120 3.743 -44.252 15.995 1.00 73.22 ATOM 2009 C GLU 120 3.083 -47.635 14.485 1.00 71.04 ATOM 2010 O GLU 120 3.698 -48.246 15.359 1.00 45.00 ATOM 2011 N CYS 121 1.777 -47.400 14.549 1.00 60.34 ATOM 2012 HN CYS 121 1.333 -46.902 13.824 1.00 37.35 ATOM 2013 CA CYS 121 0.973 -47.857 15.677 1.00 54.34 ATOM 2014 HA CYS 121 1.550 -47.720 16.583 1.00 43.25 ATOM 2015 CB CYS 121 -0.307 -47.027 15.786 1.00 52.41 ATOM 2016 HB1 CYS 121 -0.956 -47.249 14.949 1.00 37.35 ATOM 2017 HB2 CYS 121 -0.046 -45.979 15.760 1.00 13.24 ATOM 2018 SG CYS 121 -1.245 -47.313 17.305 1.00 10.32 ATOM 2019 HG CYS 121 -2.170 -48.227 17.049 1.00 15.40 ATOM 2020 C CYS 121 0.624 -49.335 15.533 1.00 0.40 ATOM 2021 O CYS 121 0.440 -50.038 16.526 1.00 2.50 ATOM 2022 N GLU 122 0.533 -49.798 14.290 1.00 3.13 ATOM 2023 HN GLU 122 0.683 -49.193 13.528 1.00 37.35 ATOM 2024 CA GLU 122 0.204 -51.192 14.018 1.00 70.03 ATOM 2025 HA GLU 122 -0.573 -51.503 14.706 1.00 2.44 ATOM 2026 CB GLU 122 -0.322 -51.345 12.589 1.00 65.11 ATOM 2027 HB1 GLU 122 0.450 -51.028 11.900 1.00 37.35 ATOM 2028 HB2 GLU 122 -1.170 -50.692 12.473 1.00 41.11 ATOM 2029 CG GLU 122 -0.716 -52.769 12.235 1.00 73.02 ATOM 2030 HG1 GLU 122 -0.267 -53.466 12.927 1.00 37.35 ATOM 2031 HG2 GLU 122 -0.355 -52.996 11.251 1.00 1.34 ATOM 2032 CD GLU 122 -2.216 -52.986 12.276 1.00 15.04 ATOM 2033 OE1 GLU 122 -2.692 -53.961 11.657 1.00 24.35 ATOM 2034 OE2 GLU 122 -2.915 -52.181 12.927 1.00 71.11 ATOM 2035 C GLU 122 1.422 -52.089 14.222 1.00 14.24 ATOM 2036 O GLU 122 1.326 -53.158 14.825 1.00 13.14 ATOM 2037 N LYS 123 2.567 -51.646 13.715 1.00 0.22 ATOM 2038 HN LYS 123 2.588 -50.780 13.242 1.00 37.35 ATOM 2039 CA LYS 123 3.805 -52.406 13.842 1.00 50.24 ATOM 2040 HA LYS 123 3.566 -53.460 13.811 1.00 61.21 ATOM 2041 CB LYS 123 4.754 -52.069 12.689 1.00 20.32 ATOM 2042 HB1 LYS 123 5.746 -52.447 12.915 1.00 37.35 ATOM 2043 HB2 LYS 123 4.812 -50.998 12.588 1.00 21.53 ATOM 2044 CG LYS 123 4.320 -52.650 11.354 1.00 12.44 ATOM 2045 HG1 LYS 123 4.936 -52.222 10.576 1.00 37.35 ATOM 2046 HG2 LYS 123 3.285 -52.382 11.178 1.00 54.14 ATOM 2047 CD LYS 123 4.475 -54.161 11.326 1.00 10.14 ATOM 2048 HD1 LYS 123 4.382 -54.575 12.319 1.00 37.35 ATOM 2049 HD2 LYS 123 5.454 -54.395 10.937 1.00 40.45 ATOM 2050 CE LYS 123 3.430 -54.812 10.433 1.00 43.00 ATOM 2051 HE1 LYS 123 3.222 -54.168 9.587 1.00 37.35 ATOM 2052 HE2 LYS 123 2.526 -54.953 11.005 1.00 32.01 ATOM 2053 NZ LYS 123 3.885 -56.134 9.920 1.00 3.11 ATOM 2054 HZ1 LYS 123 4.756 -56.025 9.359 1.00 32.53 ATOM 2055 HZ2 LYS 123 3.150 -56.551 9.314 1.00 52.24 ATOM 2056 HZ3 LYS 123 4.073 -56.785 10.711 1.00 70.51 ATOM 2057 C LYS 123 4.486 -52.118 15.176 1.00 62.23 ATOM 2058 O LYS 123 5.089 -53.006 15.780 1.00 51.25 ATOM 2059 N ARG 124 4.385 -50.874 15.630 1.00 1.54 ATOM 2060 HN ARG 124 3.916 -50.192 15.100 1.00 37.35 ATOM 2061 CA ARG 124 4.991 -50.470 16.893 1.00 5.13 ATOM 2062 HA ARG 124 5.309 -51.354 17.434 1.00 3.43 ATOM 2063 CB ARG 124 6.202 -49.570 16.638 1.00 51.03 ATOM 2064 HB1 ARG 124 6.200 -48.721 17.311 1.00 37.35 ATOM 2065 HB2 ARG 124 6.149 -49.192 15.625 1.00 21.21 ATOM 2066 CG ARG 124 7.535 -50.285 16.787 1.00 72.13 ATOM 2067 HG1 ARG 124 8.314 -49.648 16.392 1.00 37.35 ATOM 2068 HG2 ARG 124 7.506 -51.206 16.220 1.00 2.42 ATOM 2069 CD ARG 124 7.843 -50.590 18.244 1.00 24.22 ATOM 2070 HD1 ARG 124 6.938 -50.578 18.828 1.00 37.35 ATOM 2071 HD2 ARG 124 8.514 -49.828 18.612 1.00 34.20 ATOM 2072 NE ARG 124 8.474 -51.898 18.408 1.00 15.51 ATOM 2073 HE ARG 124 8.495 -52.504 17.631 1.00 11.34 ATOM 2074 CZ ARG 124 9.016 -52.314 19.547 1.00 71.31 ATOM 2075 NH1 ARG 124 9.005 -51.531 20.616 1.00 14.52 ATOM 2076 HH11 ARG 124 8.593 -50.622 20.593 1.00 4.21 ATOM 2077 HH12 ARG 124 9.418 -51.854 21.470 1.00 73.31 ATOM 2078 NH2 ARG 124 9.571 -53.518 19.618 1.00 54.44 ATOM 2079 HH21 ARG 124 9.583 -54.116 18.814 1.00 72.34 ATOM 2080 HH22 ARG 124 9.981 -53.834 20.476 1.00 74.22 ATOM 2081 C ARG 124 3.980 -49.742 17.774 1.00 70.11 ATOM 2082 O ARG 124 2.817 -49.587 17.403 1.00 2.33 ATOM 2083 N GLY 125 4.432 -49.298 18.943 1.00 31.20 ATOM 2084 HN GLY 125 5.362 -49.461 19.205 1.00 37.35 ATOM 2085 CA GLY 125 3.554 -48.593 19.858 1.00 31.04 ATOM 2086 HA1 GLY 125 3.089 -49.312 20.515 1.00 37.35 ATOM 2087 HA2 GLY 125 2.779 -48.074 19.305 1.00 34.24 ATOM 2088 C GLY 125 4.294 -47.574 20.702 1.00 33.24 ATOM 2089 O GLY 125 3.973 -47.378 21.875 1.00 20.24 ATOM 2090 N LEU 126 5.288 -46.925 20.107 1.00 54.35 ATOM 2091 HN LEU 126 5.455 -47.087 19.152 1.00 37.35 ATOM 2092 CA LEU 126 6.077 -45.921 20.812 1.00 41.02 ATOM 2093 HA LEU 126 6.618 -46.418 21.605 1.00 0.43 ATOM 2094 CB LEU 126 7.082 -45.272 19.859 1.00 41.04 ATOM 2095 HB1 LEU 126 7.744 -44.669 20.459 1.00 37.35 ATOM 2096 HB2 LEU 126 6.533 -44.608 19.197 1.00 64.13 ATOM 2097 CG LEU 126 7.919 -46.231 19.011 1.00 0.21 ATOM 2098 HG LEU 126 7.467 -47.210 18.985 1.00 43.23 ATOM 2099 CD1 LEU 126 8.005 -45.737 17.575 1.00 24.42 ATOM 2100 HD11 LEU 126 7.024 -45.618 17.169 1.00 12.30 ATOM 2101 HD12 LEU 126 8.550 -46.454 16.978 1.00 54.43 ATOM 2102 HD13 LEU 126 8.520 -44.786 17.548 1.00 31.32 ATOM 2103 CD2 LEU 126 9.310 -46.393 19.606 1.00 43.30 ATOM 2104 HD21 LEU 126 9.815 -45.437 19.620 1.00 13.00 ATOM 2105 HD22 LEU 126 9.881 -47.091 19.009 1.00 22.24 ATOM 2106 HD23 LEU 126 9.230 -46.771 20.616 1.00 35.51 ATOM 2107 C LEU 126 5.177 -44.853 21.425 1.00 44.30 ATOM 2108 O LEU 126 5.463 -44.330 22.502 1.00 43.51 ATOM 2109 N SER 127 4.088 -44.535 20.733 1.00 60.13 ATOM 2110 HN SER 127 3.915 -44.959 19.862 1.00 37.35 ATOM 2111 CA SER 127 3.147 -43.528 21.208 1.00 33.12 ATOM 2112 HA SER 127 3.350 -43.320 22.248 1.00 21.32 ATOM 2113 CB SER 127 3.306 -42.233 20.409 1.00 30.03 ATOM 2114 HB1 SER 127 2.863 -41.418 20.948 1.00 37.35 ATOM 2115 HB2 SER 127 2.820 -42.332 19.447 1.00 10.45 ATOM 2116 OG SER 127 4.673 -41.939 20.182 1.00 5.35 ATOM 2117 HG SER 127 5.051 -41.533 20.966 1.00 34.13 ATOM 2118 C SER 127 1.711 -44.032 21.100 1.00 71.41 ATOM 2119 O SER 127 1.471 -45.179 20.725 1.00 61.15 ATOM 2120 N ASN 128 0.759 -43.166 21.432 1.00 4.11 ATOM 2121 HN ASN 128 0.998 -42.280 21.711 1.00 37.35 ATOM 2122 CA ASN 128 -0.653 -43.522 21.373 1.00 35.53 ATOM 2123 HA ASN 128 -0.747 -44.459 20.840 1.00 64.04 ATOM 2124 CB ASN 128 -1.214 -43.707 22.785 1.00 4.31 ATOM 2125 HB1 ASN 128 -1.912 -44.528 22.779 1.00 37.35 ATOM 2126 HB2 ASN 128 -1.733 -42.811 23.104 1.00 31.42 ATOM 2127 CG ASN 128 -0.133 -44.031 23.798 1.00 3.43 ATOM 2128 OD1 ASN 128 0.485 -45.094 23.745 1.00 45.15 ATOM 2129 ND2 ASN 128 0.100 -43.112 24.729 1.00 31.50 ATOM 2130 HD21 ASN 128 -0.423 -42.279 24.726 1.00 14.14 ATOM 2131 HD22 ASN 128 0.795 -43.304 25.393 1.00 11.32 ATOM 2132 C ASN 128 -1.453 -42.456 20.632 1.00 14.40 ATOM 2133 O ASN 128 -1.038 -41.303 20.515 1.00 40.53 ATOM 2134 N PRO 129 -2.629 -42.847 20.120 1.00 75.24 ATOM 2135 CA PRO 129 -3.513 -41.940 19.382 1.00 51.41 ATOM 2136 HA PRO 129 -2.992 -41.451 18.571 1.00 41.43 ATOM 2137 CB PRO 129 -4.586 -42.872 18.815 1.00 73.30 ATOM 2138 HB1 PRO 129 -4.304 -43.175 17.818 1.00 37.35 ATOM 2139 HB2 PRO 129 -5.549 -42.377 18.781 1.00 44.13 ATOM 2140 CG PRO 129 -4.603 -44.039 19.742 1.00 44.52 ATOM 2141 HG1 PRO 129 -4.927 -44.924 19.214 1.00 37.35 ATOM 2142 HG2 PRO 129 -5.260 -43.837 20.575 1.00 13.13 ATOM 2143 CD PRO 129 -3.187 -44.206 20.221 1.00 34.24 ATOM 2144 HD1 PRO 129 -2.651 -44.893 19.583 1.00 37.35 ATOM 2145 HD2 PRO 129 -3.193 -44.559 21.233 1.00 11.11 ATOM 2146 C PRO 129 -4.146 -40.886 20.284 1.00 1.15 ATOM 2147 O PRO 129 -4.732 -39.916 19.806 1.00 73.35 ATOM 2148 N ASN 130 -4.023 -41.083 21.593 1.00 4.01 ATOM 2149 HN ASN 130 -3.580 -41.886 21.934 1.00 37.35 ATOM 2150 CA ASN 130 -4.583 -40.149 22.563 1.00 51.12 ATOM 2151 HA ASN 130 -5.504 -39.741 22.158 1.00 42.12 ATOM 2152 CB ASN 130 -4.889 -40.869 23.878 1.00 51.04 ATOM 2153 HB1 ASN 130 -4.809 -40.172 24.705 1.00 37.35 ATOM 2154 HB2 ASN 130 -4.176 -41.668 24.030 1.00 22.31 ATOM 2155 CG ASN 130 -6.289 -41.452 23.905 1.00 24.51 ATOM 2156 OD1 ASN 130 -7.259 -40.754 24.199 1.00 42.21 ATOM 2157 ND2 ASN 130 -6.399 -42.740 23.598 1.00 1.23 ATOM 2158 HD21 ASN 130 -5.588 -43.250 23.371 1.00 63.34 ATOM 2159 HD22 ASN 130 -7.295 -43.136 23.610 1.00 52.54 ATOM 2160 C ASN 130 -3.626 -38.988 22.816 1.00 23.55 ATOM 2161 O ASN 130 -4.029 -37.826 22.812 1.00 74.14 ATOM 2162 N GLU 131 -2.356 -39.313 23.037 1.00 24.52 ATOM 2163 HN GLU 131 -2.108 -40.264 23.051 1.00 37.35 ATOM 2164 CA GLU 131 -1.341 -38.298 23.293 1.00 52.31 ATOM 2165 HA GLU 131 -1.706 -37.641 24.073 1.00 41.22 ATOM 2166 CB GLU 131 -0.043 -38.951 23.772 1.00 11.20 ATOM 2167 HB1 GLU 131 -0.228 -39.424 24.725 1.00 37.35 ATOM 2168 HB2 GLU 131 0.711 -38.184 23.905 1.00 54.44 ATOM 2169 CG GLU 131 0.496 -40.005 22.819 1.00 13.24 ATOM 2170 HG1 GLU 131 0.549 -39.602 21.830 1.00 37.35 ATOM 2171 HG2 GLU 131 -0.172 -40.849 22.823 1.00 65.10 ATOM 2172 CD GLU 131 1.878 -40.492 23.209 1.00 11.43 ATOM 2173 OE1 GLU 131 2.049 -41.717 23.379 1.00 75.34 ATOM 2174 OE2 GLU 131 2.788 -39.648 23.345 1.00 3.03 ATOM 2175 C GLU 131 -1.074 -37.468 22.040 1.00 21.31 ATOM 2176 O GLU 131 -0.791 -36.272 22.122 1.00 22.32 ATOM 2177 N LEU 132 -1.165 -38.112 20.881 1.00 10.45 ATOM 2178 HN LEU 132 -1.373 -39.075 20.872 1.00 37.35 ATOM 2179 CA LEU 132 -0.933 -37.435 19.610 1.00 2.22 ATOM 2180 HA LEU 132 0.107 -37.161 19.567 1.00 21.11 ATOM 2181 CB LEU 132 -1.259 -38.370 18.445 1.00 61.32 ATOM 2182 HB1 LEU 132 -2.281 -38.705 18.567 1.00 37.35 ATOM 2183 HB2 LEU 132 -0.610 -39.233 18.520 1.00 54.31 ATOM 2184 CG LEU 132 -1.113 -37.774 17.044 1.00 14.13 ATOM 2185 HG LEU 132 -1.760 -36.926 16.957 1.00 35.31 ATOM 2186 CD1 LEU 132 0.319 -37.324 16.802 1.00 61.32 ATOM 2187 HD11 LEU 132 0.600 -36.579 17.531 1.00 4.01 ATOM 2188 HD12 LEU 132 0.399 -36.894 15.813 1.00 32.03 ATOM 2189 HD13 LEU 132 0.986 -38.171 16.876 1.00 22.54 ATOM 2190 CD2 LEU 132 -1.544 -38.781 15.988 1.00 32.32 ATOM 2191 HD21 LEU 132 -2.573 -39.066 16.158 1.00 41.02 ATOM 2192 HD22 LEU 132 -0.916 -39.660 16.042 1.00 2.21 ATOM 2193 HD23 LEU 132 -1.455 -38.337 15.006 1.00 1.43 ATOM 2194 C LEU 132 -1.772 -36.165 19.508 1.00 22.11 ATOM 2195 O LEU 132 -1.248 -35.084 19.241 1.00 2.04 ATOM 2196 N GLN 133 -3.076 -36.305 19.724 1.00 2.41 ATOM 2197 HN GLN 133 -3.437 -37.201 19.931 1.00 37.35 ATOM 2198 CA GLN 133 -3.987 -35.168 19.658 1.00 44.13 ATOM 2199 HA GLN 133 -3.987 -34.823 18.639 1.00 75.34 ATOM 2200 CB GLN 133 -5.400 -35.596 20.058 1.00 43.41 ATOM 2201 HB1 GLN 133 -5.445 -35.731 21.131 1.00 37.35 ATOM 2202 HB2 GLN 133 -5.625 -36.543 19.584 1.00 32.41 ATOM 2203 CG GLN 133 -6.474 -34.596 19.659 1.00 24.23 ATOM 2204 HG1 GLN 133 -6.208 -33.620 20.043 1.00 37.35 ATOM 2205 HG2 GLN 133 -7.412 -34.907 20.096 1.00 15.22 ATOM 2206 CD GLN 133 -6.654 -34.502 18.157 1.00 10.51 ATOM 2207 OE1 GLN 133 -7.505 -35.178 17.579 1.00 40.14 ATOM 2208 NE2 GLN 133 -5.852 -33.659 17.516 1.00 32.12 ATOM 2209 HE21 GLN 133 -5.192 -33.140 18.029 1.00 2.22 ATOM 2210 HE22 GLN 133 -5.951 -33.587 16.544 1.00 45.30 ATOM 2211 C GLN 133 -3.510 -34.035 20.561 1.00 33.21 ATOM 2212 O GLN 133 -3.398 -32.889 20.128 1.00 2.34 ATOM 2213 N ALA 134 -3.232 -34.365 21.818 1.00 13.33 ATOM 2214 HN ALA 134 -3.343 -35.303 22.107 1.00 37.35 ATOM 2215 CA ALA 134 -2.767 -33.375 22.782 1.00 23.42 ATOM 2216 HA ALA 134 -3.524 -32.606 22.869 1.00 42.11 ATOM 2217 CB ALA 134 -2.589 -34.015 24.151 1.00 22.31 ATOM 2218 HB1 ALA 134 -2.299 -33.262 24.870 1.00 35.00 ATOM 2219 HB2 ALA 134 -1.825 -34.778 24.100 1.00 44.23 ATOM 2220 HB3 ALA 134 -3.522 -34.464 24.460 1.00 4.12 ATOM 2221 C ALA 134 -1.462 -32.733 22.323 1.00 72.12 ATOM 2222 O ALA 134 -1.225 -31.549 22.561 1.00 24.42 ATOM 2223 N ALA 135 -0.620 -33.522 21.664 1.00 43.33 ATOM 2224 HN ALA 135 -0.853 -34.468 21.514 1.00 37.35 ATOM 2225 CA ALA 135 0.660 -33.029 21.170 1.00 3.00 ATOM 2226 HA ALA 135 1.211 -32.616 22.006 1.00 52.04 ATOM 2227 CB ALA 135 1.479 -34.174 20.591 1.00 12.44 ATOM 2228 HB1 ALA 135 2.499 -33.849 20.451 1.00 54.23 ATOM 2229 HB2 ALA 135 1.068 -34.483 19.640 1.00 0.55 ATOM 2230 HB3 ALA 135 1.460 -35.009 21.274 1.00 2.21 ATOM 2231 C ALA 135 0.462 -31.937 20.125 1.00 52.34 ATOM 2232 O ALA 135 1.053 -30.861 20.218 1.00 40.41 ATOM 2233 N ILE 136 -0.372 -32.221 19.130 1.00 14.32 ATOM 2234 HN ILE 136 -0.817 -33.102 19.108 1.00 37.35 ATOM 2235 CA ILE 136 -0.648 -31.262 18.068 1.00 53.43 ATOM 2236 HA ILE 136 0.293 -30.985 17.607 1.00 13.43 ATOM 2237 CB ILE 136 -1.558 -31.869 16.983 1.00 2.13 ATOM 2238 HB ILE 136 -2.470 -32.197 17.461 1.00 24.11 ATOM 2239 CG1 ILE 136 -0.862 -33.053 16.308 1.00 54.21 ATOM 2240 HG11 ILE 136 0.131 -33.192 16.719 1.00 37.35 ATOM 2241 HG12 ILE 136 -0.774 -32.867 15.250 1.00 64.32 ATOM 2242 CG2 ILE 136 -1.935 -30.812 15.956 1.00 63.44 ATOM 2243 HG21 ILE 136 -2.631 -30.109 16.388 1.00 31.34 ATOM 2244 HG22 ILE 136 -2.406 -31.284 15.103 1.00 42.04 ATOM 2245 HG23 ILE 136 -1.050 -30.285 15.625 1.00 52.03 ATOM 2246 CD1 ILE 136 -1.607 -34.360 16.465 1.00 62.34 ATOM 2247 HD11 ILE 136 -2.404 -34.272 17.191 1.00 74.14 ATOM 2248 HD12 ILE 136 -0.914 -35.093 16.798 1.00 64.15 ATOM 2249 HD13 ILE 136 -2.018 -34.660 15.514 1.00 31.13 ATOM 2250 C ILE 136 -1.307 -30.003 18.621 1.00 1.51 ATOM 2251 O ILE 136 -0.880 -28.886 18.327 1.00 52.22 ATOM 2252 N ASP 137 -2.347 -30.191 19.425 1.00 14.52 ATOM 2253 HN ASP 137 -2.648 -31.111 19.619 1.00 37.35 ATOM 2254 CA ASP 137 -3.064 -29.070 20.023 1.00 0.10 ATOM 2255 HA ASP 137 -3.519 -28.500 19.225 1.00 41.15 ATOM 2256 CB ASP 137 -4.164 -29.579 20.956 1.00 24.41 ATOM 2257 HB1 ASP 137 -3.762 -30.360 21.586 1.00 37.35 ATOM 2258 HB2 ASP 137 -4.971 -29.982 20.363 1.00 4.02 ATOM 2259 CG ASP 137 -4.724 -28.485 21.843 1.00 40.35 ATOM 2260 OD1 ASP 137 -5.279 -27.508 21.299 1.00 54.43 ATOM 2261 OD2 ASP 137 -4.606 -28.605 23.080 1.00 13.53 ATOM 2262 C ASP 137 -2.109 -28.162 20.791 1.00 43.52 ATOM 2263 O ASP 137 -2.135 -26.941 20.632 1.00 22.14 ATOM 2264 N SER 138 -1.267 -28.765 21.624 1.00 70.32 ATOM 2265 HN SER 138 -1.295 -29.748 21.712 1.00 37.35 ATOM 2266 CA SER 138 -0.307 -28.011 22.420 1.00 4.42 ATOM 2267 HA SER 138 -0.858 -27.340 23.064 1.00 2.54 ATOM 2268 CB SER 138 0.523 -28.958 23.289 1.00 1.54 ATOM 2269 HB1 SER 138 1.465 -28.492 23.555 1.00 37.35 ATOM 2270 HB2 SER 138 0.720 -29.871 22.745 1.00 21.43 ATOM 2271 OG SER 138 -0.163 -29.284 24.486 1.00 61.55 ATOM 2272 HG SER 138 -0.065 -28.569 25.120 1.00 72.02 ATOM 2273 C SER 138 0.614 -27.187 21.524 1.00 15.34 ATOM 2274 O SER 138 1.055 -26.102 21.900 1.00 12.33 ATOM 2275 N ASN 139 0.898 -27.712 20.337 1.00 3.40 ATOM 2276 HN ASN 139 0.532 -28.591 20.091 1.00 37.35 ATOM 2277 CA ASN 139 1.766 -27.026 19.387 1.00 44.04 ATOM 2278 HA ASN 139 2.630 -26.649 19.924 1.00 70.53 ATOM 2279 CB ASN 139 2.233 -27.996 18.299 1.00 52.52 ATOM 2280 HB1 ASN 139 2.476 -27.448 17.396 1.00 37.35 ATOM 2281 HB2 ASN 139 1.451 -28.701 18.079 1.00 31.23 ATOM 2282 CG ASN 139 3.466 -28.776 18.710 1.00 21.33 ATOM 2283 OD1 ASN 139 4.477 -28.777 18.007 1.00 32.53 ATOM 2284 ND2 ASN 139 3.388 -29.446 19.855 1.00 50.45 ATOM 2285 HD21 ASN 139 2.563 -29.424 20.378 1.00 32.03 ATOM 2286 HD22 ASN 139 4.181 -29.948 20.137 1.00 61.32 ATOM 2287 C ASN 139 1.048 -25.839 18.752 1.00 71.22 ATOM 2288 O ASN 139 1.617 -24.756 18.617 1.00 12.33 ATOM 2289 N ARG 140 -0.205 -26.052 18.364 1.00 53.22 ATOM 2290 HN ARG 140 -0.608 -26.938 18.516 1.00 37.35 ATOM 2291 CA ARG 140 -1.002 -25.000 17.743 1.00 64.33 ATOM 2292 HA ARG 140 -0.477 -24.655 16.862 1.00 33.34 ATOM 2293 CB ARG 140 -2.366 -25.547 17.320 1.00 74.11 ATOM 2294 HB1 ARG 140 -2.853 -24.803 16.704 1.00 37.35 ATOM 2295 HB2 ARG 140 -2.969 -25.718 18.205 1.00 54.14 ATOM 2296 CG ARG 140 -2.287 -26.858 16.554 1.00 1.33 ATOM 2297 HG1 ARG 140 -2.541 -27.661 17.225 1.00 37.35 ATOM 2298 HG2 ARG 140 -1.287 -27.008 16.169 1.00 44.22 ATOM 2299 CD ARG 140 -3.265 -26.883 15.390 1.00 44.21 ATOM 2300 HD1 ARG 140 -3.182 -27.850 14.916 1.00 37.35 ATOM 2301 HD2 ARG 140 -2.990 -26.111 14.685 1.00 24.31 ATOM 2302 NE ARG 140 -4.641 -26.665 15.826 1.00 32.03 ATOM 2303 HE ARG 140 -4.793 -26.232 16.696 1.00 11.34 ATOM 2304 CZ ARG 140 -5.703 -27.017 15.111 1.00 74.24 ATOM 2305 NH1 ARG 140 -5.548 -27.601 13.931 1.00 61.44 ATOM 2306 HH11 ARG 140 -4.646 -27.786 13.552 1.00 30.04 ATOM 2307 HH12 ARG 140 -6.357 -27.866 13.402 1.00 15.33 ATOM 2308 NH2 ARG 140 -6.925 -26.786 15.575 1.00 5.34 ATOM 2309 HH21 ARG 140 -7.050 -26.345 16.466 1.00 43.33 ATOM 2310 HH22 ARG 140 -7.727 -27.051 15.036 1.00 11.12 ATOM 2311 C ARG 140 -1.186 -23.823 18.696 1.00 33.30 ATOM 2312 O ARG 140 -1.061 -22.665 18.299 1.00 54.30 ATOM 2313 N ARG 141 -1.485 -24.129 19.954 1.00 1.04 ATOM 2314 HN ARG 141 -1.586 -25.076 20.212 1.00 37.35 ATOM 2315 CA ARG 141 -1.689 -23.097 20.964 1.00 44.33 ATOM 2316 HA ARG 141 -2.559 -22.520 20.682 1.00 50.45 ATOM 2317 CB ARG 141 -1.940 -23.734 22.332 1.00 45.42 ATOM 2318 HB1 ARG 141 -1.132 -24.420 22.546 1.00 37.35 ATOM 2319 HB2 ARG 141 -2.869 -24.286 22.291 1.00 14.21 ATOM 2320 CG ARG 141 -2.029 -22.725 23.466 1.00 63.53 ATOM 2321 HG1 ARG 141 -2.856 -22.057 23.278 1.00 37.35 ATOM 2322 HG2 ARG 141 -1.112 -22.160 23.523 1.00 14.41 ATOM 2323 CD ARG 141 -2.245 -23.412 24.805 1.00 2.45 ATOM 2324 HD1 ARG 141 -1.377 -24.013 25.033 1.00 37.35 ATOM 2325 HD2 ARG 141 -3.115 -24.051 24.722 1.00 11.14 ATOM 2326 NE ARG 141 -2.457 -22.451 25.885 1.00 42.23 ATOM 2327 HE ARG 141 -2.206 -21.512 25.722 1.00 2.34 ATOM 2328 CZ ARG 141 -2.962 -22.776 27.070 1.00 65.04 ATOM 2329 NH1 ARG 141 -3.304 -24.031 27.326 1.00 3.03 ATOM 2330 HH11 ARG 141 -3.190 -24.753 26.649 1.00 51.22 ATOM 2331 HH12 ARG 141 -3.687 -24.265 28.222 1.00 73.51 ATOM 2332 NH2 ARG 141 -3.124 -21.845 28.001 1.00 53.01 ATOM 2333 HH21 ARG 141 -2.866 -20.895 27.814 1.00 13.11 ATOM 2334 HH22 ARG 141 -3.505 -22.088 28.896 1.00 13.41 ATOM 2335 C ARG 141 -0.483 -22.164 21.038 1.00 14.13 ATOM 2336 O ARG 141 -0.622 -20.946 20.934 1.00 55.22 ATOM 2337 N GLU 142 0.698 -22.745 21.220 1.00 22.41 ATOM 2338 HN GLU 142 0.744 -23.729 21.298 1.00 37.35 ATOM 2339 CA GLU 142 1.927 -21.965 21.310 1.00 31.30 ATOM 2340 HA GLU 142 1.843 -21.310 22.170 1.00 54.24 ATOM 2341 CB GLU 142 3.132 -22.890 21.491 1.00 23.23 ATOM 2342 HB1 GLU 142 4.005 -22.438 21.030 1.00 37.35 ATOM 2343 HB2 GLU 142 2.934 -23.834 21.001 1.00 1.10 ATOM 2344 CG GLU 142 3.468 -23.174 22.946 1.00 64.34 ATOM 2345 HG1 GLU 142 2.698 -23.806 23.363 1.00 37.35 ATOM 2346 HG2 GLU 142 3.500 -22.240 23.490 1.00 61.15 ATOM 2347 CD GLU 142 4.806 -23.869 23.110 1.00 2.23 ATOM 2348 OE1 GLU 142 5.812 -23.168 23.348 1.00 64.00 ATOM 2349 OE2 GLU 142 4.847 -25.112 23.001 1.00 4.05 ATOM 2350 C GLU 142 2.116 -21.103 20.065 1.00 2.04 ATOM 2351 O GLU 142 1.538 -21.375 19.014 1.00 31.43 ATOM 2352 N GLY 143 2.931 -20.060 20.193 1.00 12.24 ATOM 2353 HN GLY 143 3.372 -19.882 21.054 1.00 37.35 ATOM 2354 CA GLY 143 3.182 -19.173 19.073 1.00 52.33 ATOM 2355 HA1 GLY 143 2.810 -19.604 18.151 1.00 37.35 ATOM 2356 HA2 GLY 143 4.251 -19.043 18.977 1.00 42.35 ATOM 2357 C GLY 143 2.546 -17.809 19.259 1.00 62.21 ATOM 2358 O GLY 143 1.451 -17.554 18.759 1.00 75.22 ATOM 2359 N ARG 144 3.234 -16.931 19.982 1.00 70.24 ATOM 2360 HN ARG 144 4.105 -17.188 20.365 1.00 37.35 ATOM 2361 CA ARG 144 2.728 -15.587 20.235 1.00 24.51 ATOM 2362 HA ARG 144 1.825 -15.430 19.654 1.00 72.21 ATOM 2363 CB ARG 144 2.403 -15.414 21.720 1.00 50.33 ATOM 2364 HB1 ARG 144 2.616 -14.396 22.024 1.00 37.35 ATOM 2365 HB2 ARG 144 3.023 -16.081 22.304 1.00 1.54 ATOM 2366 CG ARG 144 0.949 -15.694 22.061 1.00 33.43 ATOM 2367 HG1 ARG 144 0.320 -15.031 21.485 1.00 37.35 ATOM 2368 HG2 ARG 144 0.798 -15.509 23.115 1.00 2.04 ATOM 2369 CD ARG 144 0.570 -17.133 21.747 1.00 63.24 ATOM 2370 HD1 ARG 144 1.426 -17.786 21.866 1.00 37.35 ATOM 2371 HD2 ARG 144 0.241 -17.170 20.723 1.00 54.25 ATOM 2372 NE ARG 144 -0.529 -17.606 22.584 1.00 2.22 ATOM 2373 HE ARG 144 -1.431 -17.589 22.195 1.00 33.24 ATOM 2374 CZ ARG 144 -0.368 -18.051 23.825 1.00 20.33 ATOM 2375 NH1 ARG 144 0.840 -18.084 24.370 1.00 64.20 ATOM 2376 HH11 ARG 144 1.648 -17.778 23.873 1.00 53.51 ATOM 2377 HH12 ARG 144 0.949 -18.425 25.306 1.00 14.12 ATOM 2378 NH2 ARG 144 -1.417 -18.464 24.524 1.00 34.43 ATOM 2379 HH21 ARG 144 -2.333 -18.442 24.118 1.00 1.11 ATOM 2380 HH22 ARG 144 -1.298 -18.800 25.461 1.00 14.40 ATOM 2381 C ARG 144 3.742 -14.534 19.799 1.00 44.21 ATOM 2382 O ARG 144 4.930 -14.823 19.656 1.00 64.24 ATOM 2383 N ARG 145 3.265 -13.312 19.589 1.00 13.51 ATOM 2384 HN ARG 145 2.304 -13.140 19.731 1.00 37.35 ATOM 2385 HA ARG 145 4.897 -12.612 18.514 1.00 51.42 ATOM 2386 CB ARG 145 3.323 -11.172 18.391 1.00 62.41 ATOM 2387 HB1 ARG 145 2.791 -11.677 17.597 1.00 37.35 ATOM 2388 HB2 ARG 145 4.008 -10.462 17.946 1.00 73.11 ATOM 2389 CG ARG 145 2.304 -10.433 19.242 1.00 73.01 ATOM 2390 HG1 ARG 145 2.073 -11.009 20.129 1.00 37.35 ATOM 2391 HG2 ARG 145 1.404 -10.304 18.660 1.00 52.42 ATOM 2392 CD ARG 145 2.812 -9.060 19.654 1.00 63.35 ATOM 2393 HD1 ARG 145 2.554 -8.345 18.886 1.00 37.35 ATOM 2394 HD2 ARG 145 3.890 -9.087 19.755 1.00 11.33 ATOM 2395 NE ARG 145 2.250 -8.629 20.930 1.00 10.53 ATOM 2396 HE ARG 145 2.827 -8.696 21.722 1.00 12.30 ATOM 2397 CZ ARG 145 1.015 -8.158 21.068 1.00 4.10 ATOM 2398 NH1 ARG 145 0.218 -8.060 20.013 1.00 4.51 ATOM 2399 HH11 ARG 145 0.516 -8.333 19.103 1.00 53.35 ATOM 2400 HH12 ARG 145 -0.711 -7.702 20.129 1.00 52.03 ATOM 2401 NH2 ARG 145 0.576 -7.785 22.263 1.00 33.12 ATOM 2402 HH21 ARG 145 1.174 -7.857 23.064 1.00 74.12 ATOM 2403 HH22 ARG 145 -0.355 -7.429 22.370 1.00 73.02 ATOM 2404 CA ARG 145 4.129 -12.216 19.168 1.00 52.54 ATOM 2405 C ARG 145 4.803 -11.561 20.370 1.00 32.32 ATOM 2406 OT1 ARG 145 6.004 -11.233 20.260 1.00 37.35 ATOM 2407 OT2 ARG 145 4.140 -11.387 21.419 1.00 37.35 ATOM 2408 OH2 TIP3 1 -8.767 -50.727 -9.498 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -8.147 -51.404 -9.771 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -8.975 -50.945 -8.590 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -5.366 -53.992 -7.362 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -6.308 -53.934 -7.201 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -5.090 -53.086 -7.499 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -4.269 -55.744 -3.751 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -4.129 -56.335 -4.490 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -4.101 -54.871 -4.107 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -2.427 -59.404 -5.685 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -3.079 -58.709 -5.596 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -1.962 -59.194 -6.495 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -8.069 -53.670 -6.777 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -8.310 -53.008 -6.129 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -8.267 -54.504 -6.352 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -10.735 -53.489 -3.298 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -10.648 -52.663 -2.823 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -11.599 -53.819 -3.049 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -4.562 -61.570 -1.694 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -4.969 -61.089 -2.414 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -4.521 -62.475 -2.001 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -4.484 -57.580 -5.836 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -3.842 -57.123 -6.379 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -5.314 -57.467 -6.298 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -7.864 -54.067 -3.435 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -8.765 -53.884 -3.703 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -7.830 -53.808 -2.514 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -8.648 -55.989 -5.856 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -9.074 -56.216 -5.030 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -8.067 -56.727 -6.039 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -4.719 -51.183 -7.420 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -4.875 -50.505 -8.077 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -3.787 -51.111 -7.217 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -14.408 -51.593 0.428 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -13.640 -52.052 0.769 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -14.429 -51.819 -0.502 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -7.831 -53.213 -0.843 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -8.182 -54.069 -0.600 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -7.105 -53.070 -0.236 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -6.708 -56.816 -3.422 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -5.963 -56.228 -3.542 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -7.465 -56.234 -3.359 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -9.299 -58.022 -0.166 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -8.346 -57.938 -0.194 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -9.459 -58.733 0.453 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -7.569 -61.514 0.399 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -7.377 -62.445 0.288 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -6.712 -61.089 0.389 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -6.253 -58.725 -1.523 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -6.534 -58.016 -2.101 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -5.310 -58.798 -1.674 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -2.003 -50.533 -7.191 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -2.025 -50.348 -6.252 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -1.313 -49.964 -7.532 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -2.535 -56.081 -7.345 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -1.701 -56.459 -7.626 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -2.423 -55.138 -7.464 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -3.651 -58.375 -2.091 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -3.068 -59.109 -1.900 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -3.087 -57.603 -2.045 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -2.154 -60.472 -1.407 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -3.017 -60.851 -1.572 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -1.550 -61.211 -1.481 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -5.265 -50.443 -11.619 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -4.612 -50.790 -12.227 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -4.754 -49.954 -10.973 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -10.615 -51.140 -1.858 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -10.430 -51.474 -0.980 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -9.768 -50.831 -2.180 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -10.346 -49.795 -6.564 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -10.803 -49.266 -7.218 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -10.183 -49.192 -5.839 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -8.019 -50.917 -5.619 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -8.923 -50.752 -5.885 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -7.590 -50.064 -5.685 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -3.285 -50.663 -13.611 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -3.479 -51.411 -14.176 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -3.324 -49.905 -14.195 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -8.517 -58.026 7.425 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -8.428 -57.082 7.293 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -9.156 -58.301 6.767 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -5.878 -55.832 9.146 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -6.319 -56.552 9.596 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -5.891 -55.111 9.776 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -8.720 -55.425 6.468 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -9.016 -55.747 5.617 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -9.044 -54.525 6.510 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -4.269 -55.744 15.105 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -4.129 -56.335 14.366 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -4.101 -54.871 14.749 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -9.796 -58.782 4.877 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -10.508 -58.247 4.526 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -9.105 -58.726 4.217 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -9.742 -60.324 1.916 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -9.041 -60.302 2.567 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -9.440 -60.952 1.260 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -2.427 -59.404 13.171 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -3.079 -58.709 13.260 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -1.962 -59.194 12.361 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -6.390 -58.572 5.829 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -7.122 -58.344 6.402 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -5.943 -59.286 6.284 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -8.069 -53.670 12.079 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -8.310 -53.008 12.727 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -8.267 -54.504 12.504 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -7.519 -59.410 3.514 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -6.940 -59.260 4.261 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -7.105 -58.939 2.791 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -16.667 -50.928 7.145 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -16.515 -51.276 8.024 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -17.518 -51.284 6.890 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -6.042 -58.377 1.144 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -6.000 -58.600 0.214 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -5.193 -57.979 1.334 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -11.634 -56.713 4.234 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -12.378 -57.220 3.911 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -11.768 -56.664 5.180 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -4.484 -57.580 13.020 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -3.842 -57.123 12.477 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -5.314 -57.467 12.558 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -7.018 -62.032 4.094 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -6.126 -62.169 4.413 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -6.961 -61.241 3.557 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -9.508 -55.254 3.259 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -9.803 -54.428 3.641 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -10.211 -55.874 3.455 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -7.864 -54.067 15.421 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -8.765 -53.884 15.153 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -7.830 -53.808 16.342 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -2.133 -61.822 3.788 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -2.687 -62.218 3.116 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -2.032 -60.912 3.511 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -2.169 -56.022 16.625 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -3.021 -55.784 16.258 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -1.579 -56.039 15.872 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -6.677 -58.228 11.275 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -7.605 -58.460 11.248 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -6.226 -59.005 10.945 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -14.134 -53.900 7.408 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -13.607 -53.127 7.207 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -15.014 -53.675 7.106 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -12.707 -56.237 6.984 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -12.948 -55.312 7.026 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -13.447 -56.696 7.380 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -14.023 -51.215 6.529 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -14.973 -51.110 6.581 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -13.672 -50.395 6.874 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -8.648 -55.989 13.000 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -9.074 -56.216 13.826 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -8.067 -56.727 12.817 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -5.989 -51.437 15.469 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -6.591 -51.992 14.974 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -5.708 -50.770 14.843 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -12.354 -53.948 0.521 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -12.115 -54.696 -0.027 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -12.623 -54.336 1.353 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -13.417 -54.378 2.977 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -13.270 -54.898 3.767 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -13.420 -53.471 3.283 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -13.341 -51.637 3.708 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -13.180 -50.837 3.207 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -13.538 -51.330 4.593 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -5.806 -60.439 9.814 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -6.603 -60.854 9.485 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -5.361 -61.130 10.305 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -10.316 -52.085 0.659 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -10.960 -52.716 0.981 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -9.554 -52.616 0.427 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -7.831 -53.213 18.013 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -8.182 -54.069 18.256 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -7.105 -53.070 18.620 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -9.405 -55.311 0.486 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -9.673 -55.131 1.387 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -9.611 -56.237 0.355 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -6.708 -56.816 15.434 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -5.963 -56.228 15.314 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -7.465 -56.234 15.497 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -12.639 -49.452 2.320 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -11.706 -49.294 2.464 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -12.903 -48.777 1.695 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -3.989 -55.176 19.225 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -4.855 -55.281 19.619 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -3.613 -54.417 19.672 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -2.294 -58.866 6.563 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -3.020 -59.345 6.961 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -1.713 -58.660 7.295 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -3.677 -61.725 1.505 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -3.580 -61.058 0.825 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -3.817 -62.541 1.023 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -4.507 -60.345 7.126 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -4.657 -61.290 7.106 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -4.861 -60.064 7.970 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -3.651 -58.375 16.765 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -3.068 -59.109 16.956 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -3.087 -57.603 16.811 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -4.797 -62.762 5.588 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -4.517 -63.669 5.713 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -4.038 -62.328 5.199 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -4.156 -61.444 13.800 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -4.999 -61.176 14.166 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -3.713 -60.622 13.589 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -8.270 -49.855 16.242 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -7.593 -50.487 16.002 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -7.948 -49.453 17.050 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -10.346 -49.795 12.292 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -10.803 -49.266 11.638 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -10.183 -49.192 13.017 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -8.019 -50.917 13.237 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -8.923 -50.752 12.971 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -7.590 -50.064 13.171 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -13.431 -51.480 10.500 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -13.218 -52.368 10.213 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -13.366 -51.514 11.455 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -4.067 -51.912 17.395 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -4.849 -52.098 16.875 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -4.139 -50.983 17.612 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -2.631 -53.294 20.560 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -2.558 -52.355 20.730 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -1.726 -53.599 20.503 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -7.219 -50.563 21.223 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -6.844 -51.307 20.752 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -7.215 -50.833 22.141 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -7.550 -50.637 23.972 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -8.485 -50.537 24.151 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -7.270 -51.346 24.550 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -1.941 -50.580 21.131 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -1.198 -49.994 20.991 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -2.636 -50.012 21.464 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -5.712 -52.268 19.749 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -5.429 -53.062 20.202 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -4.972 -52.035 19.188 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -3.285 -50.663 24.101 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -3.479 -51.411 23.536 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -3.324 -49.905 23.517 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -4.269 -36.888 -22.607 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -4.129 -37.479 -23.346 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -4.101 -36.015 -22.963 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -1.714 -34.207 -21.030 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -1.763 -35.162 -21.067 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -2.540 -33.939 -20.628 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -4.432 -30.339 -19.923 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -4.232 -29.915 -20.758 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -3.776 -29.996 -19.316 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -7.864 -35.211 -22.291 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -8.765 -35.028 -22.559 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -7.830 -34.952 -21.370 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -2.169 -37.166 -21.087 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -3.021 -36.928 -21.454 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -1.579 -37.183 -21.840 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -5.989 -32.581 -22.243 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -6.591 -33.136 -22.738 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -5.708 -31.914 -22.869 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -7.831 -34.357 -19.699 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -8.182 -35.213 -19.456 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -7.105 -34.214 -19.092 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -6.708 -37.960 -22.278 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -5.963 -37.372 -22.398 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -7.465 -37.378 -22.215 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -9.299 -39.166 -19.022 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -8.346 -39.082 -19.050 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -9.459 -39.877 -18.403 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -7.569 -42.658 -18.457 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -7.377 -43.589 -18.568 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -6.712 -42.233 -18.467 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -6.253 -39.869 -20.379 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -6.534 -39.160 -20.957 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -5.310 -39.942 -20.530 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -2.440 -32.110 -23.125 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -2.927 -32.845 -23.496 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -1.891 -32.503 -22.447 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -4.048 -34.347 -23.894 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -4.696 -34.022 -23.269 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -4.566 -34.787 -24.569 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -3.651 -39.519 -20.947 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -3.068 -40.253 -20.756 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -3.087 -38.747 -20.901 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -2.154 -41.616 -20.263 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -3.017 -41.995 -20.428 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -1.550 -42.355 -20.337 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -8.270 -30.999 -21.470 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -7.593 -31.631 -21.710 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -7.948 -30.597 -20.662 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -9.584 -39.915 -8.012 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -9.622 -40.561 -7.307 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -9.907 -40.381 -8.783 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -16.292 -35.850 -7.884 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -16.662 -36.652 -8.253 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -15.351 -36.019 -7.837 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -8.767 -31.871 -9.498 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -8.147 -32.548 -9.771 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -8.975 -32.089 -8.590 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -8.054 -43.088 -7.278 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -7.911 -44.035 -7.258 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -8.160 -42.881 -8.207 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -7.177 -44.856 -11.605 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -6.531 -45.185 -10.980 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -6.667 -44.338 -12.228 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -13.123 -41.040 -10.028 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -12.507 -41.566 -9.519 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -13.709 -41.680 -10.432 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -13.520 -38.393 -5.644 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -14.260 -37.795 -5.541 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -12.806 -37.839 -5.960 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -5.366 -35.136 -7.362 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -6.308 -35.078 -7.201 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -5.090 -34.230 -7.499 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -9.796 -39.926 -13.979 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -10.508 -39.391 -14.330 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -9.105 -39.870 -14.639 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -9.742 -41.468 -16.940 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -9.041 -41.446 -16.289 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -9.440 -42.096 -17.596 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -14.745 -39.086 -11.144 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -15.075 -39.456 -11.963 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -14.157 -39.756 -10.798 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -13.378 -35.658 -8.463 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -13.473 -36.236 -9.220 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -12.649 -36.029 -7.967 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -14.378 -40.317 -7.511 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -13.813 -40.196 -8.274 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -14.059 -39.680 -6.872 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -8.069 -34.814 -6.777 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -8.310 -34.152 -6.129 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -8.267 -35.648 -6.352 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -7.519 -40.554 -15.342 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -6.940 -40.404 -14.595 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -7.105 -40.083 -16.065 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -3.821 -48.804 -15.529 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -4.720 -48.665 -15.234 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -3.569 -47.973 -15.931 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -10.735 -34.633 -3.298 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -10.648 -33.807 -2.823 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -11.599 -34.963 -3.049 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -10.321 -30.861 -13.492 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -10.396 -30.982 -14.438 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -10.288 -29.911 -13.373 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -7.219 -31.707 -16.489 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -6.844 -32.451 -16.960 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -7.215 -31.977 -15.571 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -7.550 -31.781 -13.740 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -8.485 -31.681 -13.561 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -7.270 -32.490 -13.162 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -10.131 -48.138 -4.327 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -9.711 -48.553 -3.574 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -11.064 -48.316 -4.210 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -6.042 -39.521 -17.712 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -6.000 -39.744 -18.642 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -5.193 -39.123 -17.522 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -9.170 -42.257 -12.877 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -9.579 -41.442 -13.169 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -8.450 -42.397 -13.492 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -10.068 -42.082 -1.389 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -10.631 -42.786 -1.069 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -9.242 -42.202 -0.922 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -8.166 -42.811 -10.063 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -8.361 -42.206 -10.778 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -7.984 -43.645 -10.498 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -8.902 -41.173 -5.392 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -8.578 -41.804 -6.035 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -9.342 -41.708 -4.731 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -7.719 -46.011 -7.344 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -8.396 -45.880 -6.680 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -8.205 -46.166 -8.154 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -10.804 -42.458 -8.721 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -10.240 -43.005 -9.268 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -10.952 -42.980 -7.932 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -11.634 -37.857 -14.622 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -12.378 -38.364 -14.945 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -11.768 -37.808 -13.676 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -7.736 -45.043 -16.423 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -8.674 -44.931 -16.574 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -7.439 -44.186 -16.117 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -10.114 -37.673 -3.385 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -10.460 -38.054 -2.579 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -10.314 -36.739 -3.314 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -7.018 -43.176 -14.762 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -6.126 -43.313 -14.443 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -6.961 -42.385 -15.299 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -16.509 -38.562 -8.853 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -15.764 -38.564 -9.454 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -16.431 -39.386 -8.371 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -12.484 -40.584 -1.325 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -12.780 -40.750 -2.220 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -11.553 -40.804 -1.335 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -2.133 -42.966 -15.068 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -2.687 -43.362 -15.740 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -2.032 -42.056 -15.345 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -14.134 -35.044 -11.448 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -13.607 -34.271 -11.649 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -15.014 -34.819 -11.750 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -12.192 -33.232 -5.557 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -11.829 -32.377 -5.790 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -11.660 -33.524 -4.816 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -14.023 -32.359 -12.327 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -14.973 -32.254 -12.275 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -13.672 -31.539 -11.982 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -5.989 -32.581 -3.387 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -6.591 -33.136 -3.882 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -5.708 -31.914 -4.013 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -12.354 -35.092 -18.335 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -12.115 -35.840 -18.883 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -12.623 -35.480 -17.503 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -13.417 -35.522 -15.879 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -13.270 -36.042 -15.089 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -13.420 -34.615 -15.573 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -9.132 -45.607 -5.090 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -8.434 -45.533 -4.440 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -9.513 -46.471 -4.935 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -8.348 -45.955 -13.993 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -8.128 -45.483 -14.796 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -7.790 -45.560 -13.322 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -10.679 -33.824 -15.130 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -11.496 -33.327 -15.077 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -10.150 -33.349 -15.770 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -10.612 -43.241 -3.973 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -10.493 -42.667 -3.216 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -9.957 -43.929 -3.858 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -13.341 -32.781 -15.148 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -13.180 -31.981 -15.649 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -13.538 -32.474 -14.263 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -4.719 -32.327 -7.420 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -4.875 -31.649 -8.077 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -3.787 -32.255 -7.217 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -10.316 -33.229 -18.197 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -10.960 -33.860 -17.875 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -9.554 -33.760 -18.429 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -7.831 -34.357 -0.843 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -8.182 -35.213 -0.600 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -7.105 -34.214 -0.236 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -12.443 -37.876 -0.805 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -12.771 -37.605 -1.663 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -12.291 -38.817 -0.893 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -9.405 -36.455 -18.370 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -9.673 -36.275 -17.469 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -9.611 -37.381 -18.501 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -13.608 -39.530 -15.800 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -14.067 -40.014 -15.114 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -13.353 -40.198 -16.436 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -9.299 -39.166 -0.166 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -8.346 -39.082 -0.194 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -9.459 -39.877 0.453 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -3.147 -38.932 -18.092 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -3.420 -39.357 -18.905 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -3.107 -38.001 -18.309 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -11.985 -40.473 -4.629 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -11.234 -40.629 -5.202 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -12.324 -39.621 -4.905 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -12.761 -48.456 -4.437 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -12.859 -47.509 -4.543 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -13.504 -48.828 -4.913 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -11.497 -44.134 -0.874 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -11.733 -44.354 0.028 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -12.280 -44.341 -1.383 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -12.539 -49.162 -1.766 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -11.827 -49.802 -1.780 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -12.640 -48.895 -2.680 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -12.186 -47.479 0.288 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -12.317 -47.955 -0.533 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -12.785 -46.735 0.232 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -3.677 -42.869 -17.351 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -3.580 -42.202 -18.031 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -3.817 -43.685 -17.833 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -4.429 -45.461 -18.234 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -3.819 -45.833 -17.597 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -5.266 -45.883 -18.038 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -2.317 -46.576 -16.691 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -1.904 -47.297 -17.167 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -1.635 -45.906 -16.633 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -8.270 -30.999 -2.614 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -7.593 -31.631 -2.854 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -7.948 -30.597 -1.806 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -10.346 -30.939 -6.564 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -10.803 -30.410 -7.218 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -10.183 -30.336 -5.839 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -8.019 -32.061 -5.619 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -8.923 -31.896 -5.885 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -7.590 -31.208 -5.685 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -5.414 -30.491 -5.324 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -5.596 -29.575 -5.535 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -5.238 -30.901 -6.171 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -15.968 -33.094 -9.204 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -16.187 -34.010 -9.035 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -15.144 -32.954 -8.738 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -13.431 -32.624 -8.356 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -13.218 -33.512 -8.643 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -13.366 -32.658 -7.401 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -4.780 -48.853 -9.099 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -4.176 -48.305 -9.600 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -5.649 -48.533 -9.339 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -7.459 -48.369 -9.927 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -7.383 -48.274 -10.876 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -7.735 -49.277 -9.798 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -6.106 -48.343 -14.234 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -6.809 -47.729 -14.444 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -6.551 -49.181 -14.103 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -9.994 -31.370 -16.291 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -9.128 -31.004 -16.469 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -10.241 -31.810 -17.104 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -8.517 -39.170 7.425 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -8.428 -38.226 7.293 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -9.156 -39.445 6.767 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -9.584 -39.915 10.844 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -9.622 -40.561 11.549 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -9.907 -40.381 10.073 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -5.878 -36.976 9.146 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -6.319 -37.696 9.596 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -5.891 -36.255 9.776 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -8.767 -31.871 9.358 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -8.147 -32.548 9.085 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -8.975 -32.089 10.266 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -11.195 -37.482 11.250 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -10.891 -38.168 10.656 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -10.473 -37.364 11.868 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -14.899 -44.987 8.850 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -14.856 -44.127 8.432 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -15.357 -45.539 8.217 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -13.123 -41.040 8.828 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -12.507 -41.566 9.337 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -13.709 -41.680 8.424 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -8.720 -36.569 6.468 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -9.016 -36.891 5.617 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -9.044 -35.669 6.510 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -12.063 -48.763 10.377 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -12.180 -49.712 10.323 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -12.918 -48.431 10.650 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -7.114 -33.355 8.119 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -6.689 -34.062 7.634 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -6.797 -32.554 7.702 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -5.955 -35.454 6.628 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -6.212 -36.144 6.016 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -5.884 -35.897 7.473 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -9.796 -39.926 4.877 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -10.508 -39.391 4.526 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -9.105 -39.870 4.217 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -8.069 -34.814 12.079 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -8.310 -34.152 12.727 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -8.267 -35.648 12.504 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -13.498 -35.918 16.062 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -13.810 -35.136 16.518 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -14.148 -36.071 15.376 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -15.259 -33.846 16.826 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -15.251 -33.982 15.878 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -16.175 -33.964 17.078 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -7.219 -31.707 2.367 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -6.844 -32.451 1.896 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -7.215 -31.977 3.285 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -7.550 -31.781 5.116 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -8.485 -31.681 5.295 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -7.270 -32.490 5.694 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -14.794 -47.860 11.155 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -15.655 -47.947 10.747 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -14.816 -47.004 11.582 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -10.131 -48.138 14.529 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -9.711 -48.553 15.282 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -11.064 -48.316 14.646 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -6.042 -39.521 1.144 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -6.000 -39.744 0.214 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -5.193 -39.123 1.334 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -14.706 -42.673 7.162 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -15.599 -43.014 7.103 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -14.255 -43.050 6.406 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -10.068 -42.082 17.467 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -10.631 -42.786 17.787 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -9.242 -42.202 17.934 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -13.587 -45.200 0.915 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -14.018 -45.645 1.645 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -14.305 -44.828 0.403 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -8.902 -41.173 13.464 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -8.578 -41.804 12.821 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -9.342 -41.708 14.125 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -12.124 -45.246 8.248 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -13.035 -45.189 8.537 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -11.619 -45.306 9.059 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -13.643 -43.617 4.731 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -12.711 -43.488 4.909 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -13.858 -42.947 4.082 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -14.969 -42.422 2.298 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -15.511 -42.802 1.607 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -14.135 -42.228 1.869 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -10.804 -42.458 10.135 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -10.240 -43.005 9.588 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -10.952 -42.980 10.924 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -15.802 -46.322 6.553 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -16.119 -47.224 6.518 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -15.021 -46.320 6.001 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -12.178 -44.070 12.549 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -13.013 -43.616 12.659 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -11.654 -43.794 13.301 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -11.634 -37.857 4.234 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -12.378 -38.364 3.911 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -11.768 -37.808 5.180 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -10.114 -37.673 15.471 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -10.460 -38.054 16.277 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -10.314 -36.739 15.542 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -9.508 -36.398 3.259 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -9.803 -35.572 3.641 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -10.211 -37.018 3.455 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -12.484 -40.584 17.531 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -12.780 -40.750 16.636 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -11.553 -40.804 17.521 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -6.677 -39.372 11.275 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -7.605 -39.604 11.248 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -6.226 -40.149 10.945 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -12.192 -33.232 13.299 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -11.829 -32.377 13.066 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -11.660 -33.524 14.040 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -8.648 -37.133 13.000 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -9.074 -37.360 13.826 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -8.067 -37.871 12.817 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -6.445 -36.204 2.074 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -6.092 -36.584 2.878 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -7.394 -36.297 2.160 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -5.579 -37.531 4.300 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -5.856 -38.259 4.856 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -4.652 -37.412 4.506 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -9.132 -45.607 13.766 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -8.434 -45.533 14.416 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -9.513 -46.471 13.921 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -10.612 -43.241 14.883 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -10.493 -42.667 15.640 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -9.957 -43.929 14.998 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -14.607 -46.083 3.324 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -14.690 -45.194 3.670 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -13.717 -46.348 3.555 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -14.408 -32.737 19.284 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -13.640 -33.196 19.625 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -14.429 -32.963 18.354 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -12.443 -37.876 18.051 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -12.771 -37.605 17.193 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -12.291 -38.817 17.963 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -9.405 -36.455 0.486 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -9.673 -36.275 1.387 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -9.611 -37.381 0.355 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -13.608 -39.530 3.056 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -14.067 -40.014 3.742 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -13.353 -40.198 2.420 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -12.537 -41.287 1.319 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -12.717 -41.441 0.391 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -11.586 -41.179 1.363 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -9.299 -39.166 18.690 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -8.346 -39.082 18.662 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -9.459 -39.877 19.309 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -13.567 -45.912 13.987 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -13.031 -45.461 13.335 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -14.419 -46.020 13.565 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -11.985 -40.473 14.227 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -11.234 -40.629 13.654 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -12.324 -39.621 13.951 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -11.497 -44.134 17.982 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -11.733 -44.354 18.884 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -12.280 -44.341 17.473 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -8.781 -45.007 17.058 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -9.729 -44.975 17.190 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -8.469 -45.632 17.712 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -5.265 -31.587 7.237 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -4.612 -31.934 6.629 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -4.754 -31.098 7.883 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -10.615 -32.284 16.998 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -10.430 -32.618 17.876 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -9.768 -31.975 16.676 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -10.346 -30.939 12.292 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -10.803 -30.410 11.638 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -10.183 -30.336 13.017 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -8.019 -32.061 13.237 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -8.923 -31.896 12.971 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -7.590 -31.208 13.171 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -7.243 -49.129 18.702 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -7.167 -49.555 19.556 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -6.350 -49.115 18.360 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -9.584 -39.915 29.700 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -9.622 -40.561 30.405 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -9.907 -40.381 28.929 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -5.878 -36.976 28.002 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -6.319 -37.696 28.452 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -5.891 -36.255 28.632 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -8.767 -31.871 28.214 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -8.147 -32.548 27.941 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -8.975 -32.089 29.122 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -11.195 -37.482 30.106 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -10.891 -38.168 29.512 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -10.473 -37.364 30.724 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -2.532 -45.881 30.967 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -2.483 -45.271 31.703 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -2.106 -45.420 30.244 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -8.054 -43.088 30.434 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -7.911 -44.035 30.454 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -8.160 -42.881 29.505 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -13.123 -41.040 27.684 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -12.507 -41.566 28.193 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -13.709 -41.680 27.280 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -8.720 -36.569 25.324 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -9.016 -36.891 24.473 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -9.044 -35.669 25.366 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -5.413 -45.565 28.088 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -5.628 -46.331 28.620 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -4.757 -45.093 28.601 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -5.366 -35.136 30.350 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -6.308 -35.078 30.511 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -5.090 -34.230 30.213 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -7.114 -33.355 26.975 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -6.689 -34.062 26.490 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -6.797 -32.554 26.558 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -9.742 -41.468 20.772 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -9.041 -41.446 21.423 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -9.440 -42.096 20.116 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -9.793 -33.817 25.805 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -9.319 -33.522 26.583 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -10.356 -33.079 25.572 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -3.821 -48.804 22.183 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -4.720 -48.665 22.478 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -3.569 -47.973 21.781 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -10.321 -30.861 24.220 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -10.396 -30.982 23.274 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -10.288 -29.911 24.339 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -7.550 -31.781 23.972 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -8.485 -31.681 24.151 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -7.270 -32.490 24.550 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -10.469 -45.645 20.670 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -10.723 -45.626 21.593 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -10.726 -46.517 20.369 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -14.706 -42.673 26.018 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -15.599 -43.014 25.959 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -14.255 -43.050 25.262 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -8.166 -42.811 27.649 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -8.361 -42.206 26.934 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -7.984 -43.645 27.214 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -12.124 -45.246 27.104 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -13.035 -45.189 27.393 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -11.619 -45.306 27.915 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -13.643 -43.617 23.587 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -12.711 -43.488 23.765 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -13.858 -42.947 22.938 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -7.719 -46.011 30.368 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -8.396 -45.880 31.032 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -8.205 -46.166 29.558 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -10.804 -42.458 28.991 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -10.240 -43.005 28.444 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -10.952 -42.980 29.780 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -11.634 -37.857 23.090 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -12.378 -38.364 22.767 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -11.768 -37.808 24.036 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -9.508 -36.398 22.115 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -9.803 -35.572 22.497 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -10.211 -37.018 22.311 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -6.677 -39.372 30.131 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -7.605 -39.604 30.104 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -6.226 -40.149 29.801 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -12.707 -37.381 25.840 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -12.948 -36.456 25.882 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -13.447 -37.840 26.236 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -12.354 -35.092 19.377 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -12.115 -35.840 18.829 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -12.623 -35.480 20.209 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -13.417 -35.522 21.833 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -13.270 -36.042 22.623 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -13.420 -34.615 22.139 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -10.679 -33.824 22.582 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -11.496 -33.327 22.635 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -10.150 -33.349 21.942 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -11.148 -44.227 24.554 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -10.336 -43.723 24.600 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -11.393 -44.372 25.468 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -10.264 -47.146 25.492 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -10.611 -46.528 26.137 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -9.606 -46.645 25.011 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -13.341 -32.781 22.564 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -13.180 -31.981 22.063 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -13.538 -32.474 23.449 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -5.806 -41.583 28.670 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -6.603 -41.998 28.341 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -5.361 -42.274 29.161 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -4.719 -32.327 30.292 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -4.875 -31.649 29.635 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -3.787 -32.255 30.495 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -14.757 -37.502 19.606 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -14.693 -38.296 20.137 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -14.104 -37.621 18.917 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -13.608 -39.530 21.912 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -14.067 -40.014 22.598 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -13.353 -40.198 21.276 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -12.537 -41.287 20.175 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -12.717 -41.441 19.247 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -11.586 -41.179 20.219 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -12.639 -30.596 21.176 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -11.706 -30.438 21.320 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -12.903 -29.921 20.551 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -2.003 -31.677 30.521 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -2.025 -31.492 31.460 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -1.313 -31.108 30.180 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -2.535 -37.225 30.367 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -1.701 -37.603 30.086 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -2.423 -36.282 30.248 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -4.185 -43.325 29.880 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -3.252 -43.113 29.846 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -4.420 -43.223 30.803 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -4.183 -46.643 24.493 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -4.001 -47.092 25.318 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -4.783 -47.228 24.029 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -5.265 -31.587 26.093 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -4.612 -31.934 25.485 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -4.754 -31.098 26.739 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -9.922 -46.960 28.501 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -10.597 -47.589 28.756 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -9.358 -47.444 27.898 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -3.053 -47.714 26.947 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -2.441 -48.228 26.420 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -2.670 -46.836 26.970 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -7.459 -48.369 27.785 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -7.383 -48.274 26.836 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -7.735 -49.277 27.914 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -6.106 -48.343 23.478 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -6.809 -47.729 23.268 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -6.551 -49.181 23.609 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -11.872 -46.319 23.026 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -11.694 -46.965 23.709 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -11.926 -45.485 23.493 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -9.994 -31.370 21.421 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -9.128 -31.004 21.243 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -10.241 -31.810 20.608 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -1.714 -15.351 -21.030 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -1.763 -16.306 -21.067 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -2.540 -15.083 -20.628 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -4.432 -11.483 -19.923 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -4.232 -11.059 -20.758 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -3.776 -11.140 -19.316 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -2.169 -18.310 -21.087 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -3.021 -18.072 -21.454 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -1.579 -18.327 -21.840 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -7.147 -27.517 -18.649 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -7.244 -28.469 -18.655 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -7.469 -27.248 -17.788 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -2.003 -12.821 -26.047 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -2.025 -12.636 -25.108 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -1.313 -12.252 -26.388 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -2.440 -13.254 -23.125 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -2.927 -13.989 -23.496 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -1.891 -13.647 -22.447 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -3.989 -17.464 -18.487 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -4.855 -17.569 -18.093 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -3.613 -16.705 -18.040 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -2.154 -22.760 -20.263 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -3.017 -23.139 -20.428 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -1.550 -23.499 -20.337 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -1.873 -29.752 -18.558 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -1.523 -30.406 -19.164 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -1.726 -28.915 -18.998 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -2.353 -27.643 -20.209 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -3.270 -27.372 -20.245 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -2.230 -28.178 -20.993 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -3.352 -29.553 -22.390 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -4.165 -29.228 -22.778 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -3.119 -30.313 -22.923 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -5.414 -11.635 -24.180 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -5.596 -10.719 -24.391 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -5.238 -12.045 -25.027 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -7.243 -30.273 -19.010 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -7.167 -30.699 -18.156 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -6.350 -30.259 -19.352 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -4.067 -14.200 -20.317 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -4.849 -14.386 -20.837 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -4.139 -13.271 -20.100 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -8.517 -20.314 -11.431 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -8.428 -19.370 -11.563 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -9.156 -20.589 -12.089 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -5.878 -18.120 -9.710 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -6.319 -18.840 -9.260 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -5.891 -17.399 -9.080 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -8.767 -13.015 -9.498 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -8.147 -13.692 -9.771 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -8.975 -13.233 -8.590 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -7.177 -26.000 -11.605 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -6.531 -26.329 -10.980 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -6.667 -25.482 -12.228 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -8.720 -17.713 -12.388 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -9.016 -18.035 -13.239 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -9.044 -16.813 -12.346 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -5.413 -26.709 -9.624 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -5.628 -27.475 -9.092 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -4.757 -26.237 -9.111 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -5.066 -27.994 -5.945 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -5.802 -27.383 -5.983 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -4.382 -27.579 -6.471 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -12.063 -29.907 -8.479 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -12.180 -30.856 -8.533 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -12.918 -29.575 -8.206 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -7.114 -14.499 -10.737 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -6.689 -15.206 -11.222 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -6.797 -13.698 -11.154 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -4.269 -18.032 -3.751 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -4.129 -18.623 -4.490 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -4.101 -17.159 -4.107 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -9.796 -21.070 -13.979 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -10.508 -20.535 -14.330 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -9.105 -21.014 -14.639 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -2.427 -21.692 -5.685 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -3.079 -20.997 -5.596 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -1.962 -21.482 -6.495 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -6.390 -20.860 -13.027 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -7.122 -20.632 -12.454 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -5.943 -21.574 -12.572 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -8.069 -15.958 -6.777 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -8.310 -15.296 -6.129 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -8.267 -16.792 -6.352 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -7.519 -21.698 -15.342 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -6.940 -21.548 -14.595 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -7.105 -21.227 -16.065 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -9.793 -14.961 -11.907 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -9.319 -14.666 -11.129 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -10.356 -14.223 -12.140 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -7.219 -12.851 -16.489 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -6.844 -13.595 -16.960 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -7.215 -13.121 -15.571 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -7.550 -12.925 -13.740 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -8.485 -12.825 -13.561 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -7.270 -13.634 -13.162 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -4.562 -23.858 -1.694 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -4.969 -23.377 -2.414 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -4.521 -24.763 -2.001 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -6.805 -25.526 -3.473 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -7.319 -25.652 -2.676 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -6.960 -24.614 -3.718 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -6.042 -20.665 -17.712 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -6.000 -20.888 -18.642 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -5.193 -20.267 -17.522 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -4.432 -11.483 -1.067 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -4.232 -11.059 -1.902 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -3.776 -11.140 -0.460 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -4.484 -19.868 -5.836 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -3.842 -19.411 -6.379 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -5.314 -19.755 -6.298 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -7.018 -24.320 -14.762 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -6.126 -24.457 -14.443 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -6.961 -23.529 -15.299 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -9.508 -17.542 -15.597 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -9.803 -16.716 -15.215 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -10.211 -18.162 -15.401 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -7.864 -16.355 -3.435 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -8.765 -16.172 -3.703 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -7.830 -16.096 -2.514 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -2.169 -18.310 -2.231 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -3.021 -18.072 -2.598 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -1.579 -18.327 -2.984 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -6.677 -20.516 -7.581 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -7.605 -20.748 -7.608 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -6.226 -21.293 -7.911 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -8.648 -18.277 -5.856 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -9.074 -18.504 -5.030 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -8.067 -19.015 -6.039 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -6.445 -17.348 -16.782 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -6.092 -17.728 -15.978 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -7.394 -17.441 -16.696 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -5.989 -13.725 -3.387 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -6.591 -14.280 -3.882 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -5.708 -13.058 -4.013 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -10.264 -28.290 -12.220 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -10.611 -27.672 -11.575 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -9.606 -27.789 -12.701 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -4.408 -26.478 -3.138 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -5.324 -26.215 -3.226 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -4.072 -26.481 -4.035 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -5.806 -22.727 -9.042 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -6.603 -23.142 -9.371 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -5.361 -23.418 -8.551 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -7.831 -15.501 -0.843 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -8.182 -16.357 -0.600 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -7.105 -15.358 -0.236 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -5.712 -14.556 -17.963 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -5.429 -15.350 -17.510 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -4.972 -14.323 -18.524 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -6.708 -19.104 -3.422 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -5.963 -18.516 -3.542 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -7.465 -18.522 -3.359 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -3.147 -20.076 -18.092 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -3.420 -20.501 -18.905 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -3.107 -19.145 -18.309 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -7.147 -27.517 0.207 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -7.244 -28.469 0.201 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -7.469 -27.248 1.068 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -3.989 -17.464 0.369 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -4.855 -17.569 0.763 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -3.613 -16.705 0.816 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -3.677 -24.013 -17.351 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -3.580 -23.346 -18.031 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -3.817 -24.829 -17.833 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -4.507 -22.633 -11.730 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -4.657 -23.578 -11.750 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -4.861 -22.352 -10.886 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -3.651 -20.663 -2.091 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -3.068 -21.397 -1.900 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -3.087 -19.891 -2.045 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -2.154 -22.760 -1.407 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -3.017 -23.139 -1.572 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -1.550 -23.499 -1.481 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -4.429 -26.605 -18.234 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -3.819 -26.977 -17.597 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -5.266 -27.027 -18.038 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -4.797 -25.050 -13.268 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -4.517 -25.957 -13.143 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -4.038 -24.616 -13.657 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -4.185 -24.469 -7.832 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -3.252 -24.257 -7.866 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -4.420 -24.367 -6.909 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -4.156 -23.732 -5.056 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -4.999 -23.464 -4.690 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -3.713 -22.910 -5.267 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -4.183 -27.787 -13.219 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -4.001 -28.236 -12.394 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -4.783 -28.372 -13.683 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -2.353 -27.643 -1.353 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -3.270 -27.372 -1.389 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -2.230 -28.178 -2.137 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -2.317 -27.720 -16.691 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -1.904 -28.441 -17.167 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -1.635 -27.050 -16.633 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -5.265 -12.731 -11.619 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -4.612 -13.078 -12.227 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -4.754 -12.242 -10.973 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -8.270 -12.143 -2.614 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -7.593 -12.775 -2.854 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -7.948 -11.741 -1.806 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -8.019 -13.205 -5.619 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -8.923 -13.040 -5.885 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -7.590 -12.352 -5.685 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -5.414 -11.635 -5.324 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -5.596 -10.719 -5.535 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -5.238 -12.045 -6.171 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -4.780 -29.997 -9.099 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -4.176 -29.449 -9.600 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -5.649 -29.677 -9.339 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -13.016 -29.543 -11.576 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -12.142 -29.155 -11.606 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -13.152 -29.758 -10.653 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -7.459 -29.513 -9.927 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -7.383 -29.418 -10.876 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -7.735 -30.421 -9.798 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -6.106 -29.487 -14.234 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -6.809 -28.873 -14.444 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -6.551 -30.325 -14.103 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -7.243 -30.273 -0.154 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -7.167 -30.699 0.700 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -6.350 -30.259 -0.496 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -4.067 -14.200 -1.461 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -4.849 -14.386 -1.981 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -4.139 -13.271 -1.244 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -9.584 -21.059 10.844 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -9.622 -21.705 11.549 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -9.907 -21.525 10.073 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -8.054 -24.232 11.578 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -7.911 -25.179 11.598 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -8.160 -24.025 10.649 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -7.177 -26.000 7.251 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -6.531 -26.329 7.876 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -6.667 -25.482 6.628 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -5.413 -26.709 9.232 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -5.628 -27.475 9.764 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -4.757 -26.237 9.745 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -12.063 -29.907 10.377 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -12.180 -30.856 10.323 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -12.918 -29.575 10.650 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -4.269 -18.032 15.105 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -4.129 -18.623 14.366 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -4.101 -17.159 14.749 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -2.427 -21.692 13.171 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -3.079 -20.997 13.260 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -1.962 -21.482 12.361 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -6.493 -22.686 14.897 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -6.413 -21.923 15.469 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -7.094 -22.407 14.206 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -3.821 -29.948 3.327 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -4.720 -29.809 3.622 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -3.569 -29.117 2.925 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -2.631 -15.582 1.704 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -2.558 -14.643 1.874 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -1.726 -15.887 1.647 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -1.714 -15.351 16.682 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -1.763 -16.306 16.645 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -2.540 -15.083 17.084 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -10.131 -29.282 14.529 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -9.711 -29.697 15.282 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -11.064 -29.460 14.646 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -10.068 -23.226 17.467 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -10.631 -23.930 17.787 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -9.242 -23.346 17.934 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -8.166 -23.955 8.793 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -8.361 -23.350 8.078 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -7.984 -24.789 8.358 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -8.902 -22.317 13.464 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -8.578 -22.948 12.821 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -9.342 -22.852 14.125 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -4.432 -11.483 17.789 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -4.232 -11.059 16.954 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -3.776 -11.140 18.396 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -10.804 -23.602 10.135 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -10.240 -24.149 9.588 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -10.952 -24.124 10.924 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -12.178 -25.214 12.549 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -13.013 -24.760 12.659 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -11.654 -24.938 13.301 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -4.484 -19.868 13.020 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -3.842 -19.411 12.477 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -5.314 -19.755 12.558 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -12.484 -21.728 17.531 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -12.780 -21.894 16.636 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -11.553 -21.948 17.521 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -2.133 -24.110 3.788 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -2.687 -24.506 3.116 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -2.032 -23.200 3.511 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -2.169 -18.310 16.625 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -3.021 -18.072 16.258 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -1.579 -18.327 15.872 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -6.677 -20.516 11.275 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -7.605 -20.748 11.248 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -6.226 -21.293 10.945 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -1.941 -12.868 2.275 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -1.198 -12.282 2.135 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -2.636 -12.300 2.608 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -10.612 -24.385 14.883 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -10.493 -23.811 15.640 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -9.957 -25.073 14.998 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -5.806 -22.727 9.814 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -6.603 -23.142 9.485 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -5.361 -23.418 10.305 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -5.712 -14.556 0.893 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -5.429 -15.350 1.346 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -4.972 -14.323 0.332 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -6.708 -19.104 15.434 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -5.963 -18.516 15.314 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -7.465 -18.522 15.497 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -9.299 -20.310 18.690 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -8.346 -20.226 18.662 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -9.459 -21.021 19.309 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -3.147 -20.076 0.764 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -3.420 -20.501 -0.049 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -3.107 -19.145 0.547 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -13.979 -25.426 16.495 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -13.829 -26.155 15.892 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -13.977 -24.649 15.936 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -13.567 -27.056 13.987 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -13.031 -26.605 13.335 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -14.419 -27.164 13.565 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -11.985 -21.617 14.227 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -11.234 -21.773 13.654 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -12.324 -20.765 13.951 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -7.569 -23.802 19.255 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -7.377 -24.733 19.144 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -6.712 -23.377 19.245 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -6.253 -21.013 17.333 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -6.534 -20.304 16.755 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -5.310 -21.086 17.182 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -12.761 -29.600 14.419 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -12.859 -28.653 14.313 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -13.504 -29.972 13.943 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -11.497 -25.278 17.982 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -11.733 -25.498 18.884 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -12.280 -25.485 17.473 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -12.539 -30.306 17.090 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -11.827 -30.946 17.076 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -12.640 -30.039 16.176 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -12.186 -28.623 19.144 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -12.317 -29.099 18.323 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -12.785 -27.879 19.088 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -2.440 -13.254 14.587 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -2.927 -13.989 14.216 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -1.891 -13.647 15.265 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -3.989 -17.464 19.225 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -4.855 -17.569 19.619 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -3.613 -16.705 19.672 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -2.294 -21.154 6.563 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -3.020 -21.633 6.961 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -1.713 -20.948 7.295 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -4.048 -15.491 13.818 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -4.696 -15.166 14.443 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -4.566 -15.931 13.143 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -4.507 -22.633 7.126 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -4.657 -23.578 7.106 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -4.861 -22.352 7.970 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -4.429 -26.605 0.622 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -3.819 -26.977 1.259 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -5.266 -27.027 0.818 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -4.797 -25.050 5.588 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -4.517 -25.957 5.713 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -4.038 -24.616 5.199 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -4.185 -24.469 11.024 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -3.252 -24.257 10.990 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -4.420 -24.367 11.947 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -4.183 -27.787 5.637 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -4.001 -28.236 6.462 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -4.783 -28.372 5.173 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -2.317 -27.720 2.165 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -1.904 -28.441 1.689 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -1.635 -27.050 2.223 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -9.922 -28.104 9.645 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -10.597 -28.733 9.900 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -9.358 -28.588 9.042 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -4.780 -29.997 9.757 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -4.176 -29.449 9.256 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -5.649 -29.677 9.517 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -7.459 -29.513 8.929 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -7.383 -29.418 7.980 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -7.735 -30.421 9.058 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -6.106 -29.487 4.622 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -6.809 -28.873 4.412 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -6.551 -30.325 4.753 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -4.067 -14.200 17.395 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -4.849 -14.386 16.875 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -4.139 -13.271 17.612 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -8.517 -20.314 26.281 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -8.428 -19.370 26.149 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -9.156 -20.589 25.623 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -9.584 -21.059 29.700 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -9.622 -21.705 30.405 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -9.907 -21.525 28.929 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -5.878 -18.120 28.002 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -6.319 -18.840 28.452 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -5.891 -17.399 28.632 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -2.532 -27.025 30.967 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -2.483 -26.415 31.703 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -2.106 -26.564 30.244 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -8.054 -24.232 30.434 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -7.911 -25.179 30.454 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -8.160 -24.025 29.505 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -7.177 -26.000 26.107 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -6.531 -26.329 26.732 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -6.667 -25.482 25.484 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -2.140 -25.547 33.203 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -2.829 -24.889 33.108 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -2.125 -25.744 34.140 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -8.720 -17.713 25.324 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -9.016 -18.035 24.473 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -9.044 -16.813 25.366 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -5.366 -16.280 30.350 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -6.308 -16.222 30.511 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -5.090 -15.374 30.213 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -5.066 -27.994 31.767 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -5.802 -27.383 31.729 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -4.382 -27.579 31.241 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -7.114 -14.499 26.975 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -6.689 -15.206 26.490 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -6.797 -13.698 26.558 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -5.955 -16.598 25.484 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -6.212 -17.288 24.872 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -5.884 -17.041 26.329 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -4.269 -18.032 33.961 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -4.129 -18.623 33.222 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -4.101 -17.159 33.605 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -9.796 -21.070 23.733 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -10.508 -20.535 23.382 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -9.105 -21.014 23.073 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -9.742 -22.612 20.772 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -9.041 -22.590 21.423 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -9.440 -23.240 20.116 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -2.427 -21.692 32.027 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -3.079 -20.997 32.116 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -1.962 -21.482 31.217 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -6.390 -20.860 24.685 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -7.122 -20.632 25.258 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -5.943 -21.574 25.140 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -6.493 -22.686 33.753 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -6.413 -21.923 34.325 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -7.094 -22.407 33.062 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -7.519 -21.698 22.370 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -6.940 -21.548 23.117 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -7.105 -21.227 21.647 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -6.805 -25.526 34.239 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -7.319 -25.652 35.036 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -6.960 -24.614 33.994 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -6.042 -20.665 20.000 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -6.000 -20.888 19.070 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -5.193 -20.267 20.190 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -10.469 -26.789 20.670 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -10.723 -26.770 21.593 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -10.726 -27.661 20.369 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -9.170 -23.401 24.835 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -9.579 -22.586 24.543 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -8.450 -23.541 24.220 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -8.166 -23.955 27.649 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -8.361 -23.350 26.934 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -7.984 -24.789 27.214 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -13.587 -26.344 19.771 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -14.018 -26.789 20.501 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -14.305 -25.972 19.259 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -8.902 -22.317 32.320 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -8.578 -22.948 31.677 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -9.342 -22.852 32.981 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -7.719 -27.155 30.368 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -8.396 -27.024 31.032 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -8.205 -27.310 29.558 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -10.804 -23.602 28.991 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -10.240 -24.149 28.444 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -10.952 -24.124 29.780 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -4.484 -19.868 31.876 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -3.842 -19.411 31.333 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -5.314 -19.755 31.414 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -3.837 -15.324 23.109 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -4.210 -16.150 23.419 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -3.560 -15.507 22.212 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -6.677 -20.516 30.131 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -7.605 -20.748 30.104 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -6.226 -21.293 29.801 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -8.648 -18.277 31.856 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -9.074 -18.504 32.682 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -8.067 -19.015 31.673 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -6.445 -17.348 20.930 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -6.092 -17.728 21.734 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -7.394 -17.441 21.016 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -1.941 -12.868 21.131 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -1.198 -12.282 20.991 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -2.636 -12.300 21.464 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -5.579 -18.675 23.156 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -5.856 -19.403 23.712 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -4.652 -18.556 23.362 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -11.148 -25.371 24.554 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -10.336 -24.867 24.600 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -11.393 -25.516 25.468 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -10.264 -28.290 25.492 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -10.611 -27.672 26.137 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -9.606 -27.789 25.011 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -4.408 -26.478 34.574 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -5.324 -26.215 34.486 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -4.072 -26.481 33.677 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -5.712 -14.556 19.749 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -5.429 -15.350 20.202 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -4.972 -14.323 19.188 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -6.708 -19.104 34.290 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -5.963 -18.516 34.170 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -7.465 -18.522 34.353 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -2.535 -18.369 30.367 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -1.701 -18.747 30.086 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -2.423 -17.426 30.248 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -4.048 -15.491 32.674 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -4.696 -15.166 33.299 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -4.566 -15.931 31.999 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -3.651 -20.663 35.621 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -3.068 -21.397 35.812 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -3.087 -19.891 35.667 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -4.156 -23.732 32.656 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -4.999 -23.464 33.022 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -3.713 -22.910 32.445 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -5.265 -12.731 26.093 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -4.612 -13.078 25.485 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -4.754 -12.242 26.739 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -9.922 -28.104 28.501 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -10.597 -28.733 28.756 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -9.358 -28.588 27.898 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -4.780 -29.997 28.613 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -4.176 -29.449 28.112 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -5.649 -29.677 28.373 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -7.459 -29.513 27.785 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -7.383 -29.418 26.836 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -7.735 -30.421 27.914 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -11.872 -27.463 23.026 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -11.694 -28.109 23.709 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -11.926 -26.629 23.493 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -3.285 -12.951 24.101 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -3.479 -13.699 23.536 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -3.324 -12.193 23.517 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -5.413 -7.853 -28.480 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -5.628 -8.619 -27.948 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -4.757 -7.381 -27.967 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -5.066 -9.138 -24.801 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -5.802 -8.527 -24.839 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -4.382 -8.723 -25.327 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -6.493 -3.830 -22.815 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -6.413 -3.067 -22.243 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -7.094 -3.551 -23.506 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -4.562 -5.002 -20.550 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -4.969 -4.521 -21.270 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -4.521 -5.907 -20.857 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -6.805 -6.670 -22.329 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -7.319 -6.796 -21.532 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -6.960 -5.758 -22.574 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -4.484 -1.012 -24.692 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -3.842 -0.555 -25.235 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -5.314 -0.899 -25.154 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -2.169 0.546 -21.087 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -3.021 0.784 -21.454 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -1.579 0.529 -21.840 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -4.408 -7.622 -21.994 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -5.324 -7.359 -22.082 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -4.072 -7.625 -22.891 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -5.806 -3.871 -27.898 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -6.603 -4.286 -28.227 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -5.361 -4.562 -27.407 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -7.147 -8.661 -18.649 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -7.244 -9.613 -18.655 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -7.469 -8.392 -17.788 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -2.294 -2.298 -31.149 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -3.020 -2.777 -30.751 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -1.713 -2.092 -30.417 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -2.535 0.487 -26.201 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -1.701 0.109 -26.482 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -2.423 1.430 -26.320 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -4.507 -3.777 -30.586 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -4.657 -4.722 -30.606 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -4.861 -3.496 -29.742 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -3.651 -1.807 -20.947 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -3.068 -2.541 -20.756 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -3.087 -1.035 -20.901 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -2.154 -3.904 -20.263 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -3.017 -4.283 -20.428 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -1.550 -4.643 -20.337 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -4.797 -6.194 -32.124 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -4.517 -7.101 -31.999 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -4.038 -5.760 -32.513 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -4.185 -5.613 -26.688 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -3.252 -5.401 -26.722 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -4.420 -5.511 -25.765 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -4.156 -4.876 -23.912 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -4.999 -4.608 -23.546 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -3.713 -4.054 -24.123 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -3.352 -10.697 -22.390 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -4.165 -10.372 -22.778 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -3.119 -11.457 -22.923 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -4.780 -11.141 -27.955 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -4.176 -10.593 -28.456 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -5.649 -10.821 -28.195 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -3.053 -10.002 -29.621 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -2.441 -10.516 -30.148 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -2.670 -9.124 -29.598 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -7.243 -11.417 -19.010 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -7.167 -11.843 -18.156 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -6.350 -11.403 -19.352 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -2.532 -8.169 -6.745 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -2.483 -7.559 -6.009 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -2.106 -7.708 -7.468 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -7.177 -7.144 -11.605 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -6.531 -7.473 -10.980 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -6.667 -6.626 -12.228 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -2.140 -6.691 -4.509 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -2.829 -6.033 -4.604 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -2.125 -6.888 -3.572 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -5.413 -7.853 -9.624 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -5.628 -8.619 -9.092 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -4.757 -7.381 -9.111 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -5.066 -9.138 -5.945 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -5.802 -8.527 -5.983 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -4.382 -8.723 -6.471 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -7.736 -7.331 -16.423 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -8.674 -7.219 -16.574 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -7.439 -6.474 -16.117 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -2.133 -5.254 -15.068 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -2.687 -5.650 -15.740 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -2.032 -4.344 -15.345 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -4.408 -7.622 -3.138 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -5.324 -7.359 -3.226 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -4.072 -7.625 -4.035 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -3.147 -1.220 -18.092 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -3.420 -1.645 -18.905 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -3.107 -0.289 -18.309 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -2.294 -2.298 -12.293 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -3.020 -2.777 -11.895 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -1.713 -2.092 -11.561 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -2.026 -2.397 -15.902 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -2.547 -2.040 -16.621 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -2.059 -1.722 -15.224 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -3.677 -5.157 -17.351 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -3.580 -4.490 -18.031 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -3.817 -5.973 -17.833 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -4.507 -3.777 -11.730 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -4.657 -4.722 -11.750 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -4.861 -3.496 -10.886 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -4.429 -7.749 -18.234 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -3.819 -8.121 -17.597 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -5.266 -8.171 -18.038 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -4.797 -6.194 -13.268 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -4.517 -7.101 -13.143 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -4.038 -5.760 -13.657 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -4.185 -5.613 -7.832 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -3.252 -5.401 -7.866 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -4.420 -5.511 -6.909 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -1.873 -10.896 0.298 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -1.523 -11.550 -0.308 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -1.726 -10.059 -0.142 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -4.183 -8.931 -13.219 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -4.001 -9.380 -12.394 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -4.783 -9.516 -13.683 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -2.353 -8.787 -1.353 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -3.270 -8.516 -1.389 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -2.230 -9.322 -2.137 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -4.780 -11.141 -9.099 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -4.176 -10.593 -9.600 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -5.649 -10.821 -9.339 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -7.459 -10.657 -9.927 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -7.383 -10.562 -10.876 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -7.735 -11.565 -9.798 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -6.106 -10.631 -14.234 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -6.809 -10.017 -14.444 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -6.551 -11.469 -14.103 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -7.243 -11.417 -0.154 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -7.167 -11.843 0.700 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -6.350 -11.403 -0.496 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -2.140 -6.691 14.347 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -2.829 -6.033 14.252 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -2.125 -6.888 15.284 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -4.562 -5.002 17.162 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -4.969 -4.521 16.442 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -4.521 -5.907 16.855 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -4.408 -7.622 15.718 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -5.324 -7.359 15.630 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -4.072 -7.625 14.821 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -7.147 -8.661 19.063 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -7.244 -9.613 19.057 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -7.469 -8.392 19.924 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -2.154 -3.904 17.449 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -3.017 -4.283 17.284 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -1.550 -4.643 17.375 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -3.352 -10.697 15.322 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -4.165 -10.372 14.934 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -3.119 -11.457 14.789 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -3.821 -11.092 22.183 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -4.720 -10.953 22.478 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -3.569 -10.261 21.781 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -7.018 -5.464 22.950 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -6.126 -5.601 23.269 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -6.961 -4.673 22.413 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -3.147 -1.220 19.620 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -3.420 -1.645 18.807 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -3.107 -0.289 19.403 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -2.294 -2.298 25.419 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -3.020 -2.777 25.817 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -1.713 -2.092 26.151 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -2.026 -2.397 21.810 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -2.547 -2.040 21.091 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -2.059 -1.722 22.488 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -3.677 -5.157 20.361 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -3.580 -4.490 19.681 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -3.817 -5.973 19.879 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -4.507 -3.777 25.982 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -4.657 -4.722 25.962 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -4.861 -3.496 26.826 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -4.429 -7.749 19.478 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -3.819 -8.121 20.115 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -5.266 -8.171 19.674 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -4.797 -6.194 24.444 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -4.517 -7.101 24.569 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -4.038 -5.760 24.055 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -4.183 -8.931 24.493 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -4.001 -9.380 25.318 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -4.783 -9.516 24.029 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 -3.053 -10.002 26.947 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 -2.441 -10.516 26.420 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 -2.670 -9.124 26.970 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 -6.106 -10.631 23.478 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 -6.809 -10.017 23.268 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 -6.551 -11.469 23.609 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 9.272 -58.771 -8.012 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 9.234 -59.417 -7.307 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 8.949 -59.237 -8.783 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 1.640 -59.156 -6.419 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 1.682 -59.782 -5.695 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 2.343 -58.533 -6.237 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 12.978 -55.832 -9.710 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 12.537 -56.552 -9.260 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 12.965 -55.111 -9.080 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 2.564 -54.706 -7.884 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 2.194 -55.508 -8.253 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 3.505 -54.875 -7.837 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 7.661 -56.338 -7.606 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 7.965 -57.024 -8.200 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 8.383 -56.220 -6.988 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 10.136 -55.425 -12.388 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 9.840 -55.747 -13.239 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 9.812 -54.525 -12.346 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 12.901 -54.310 -12.228 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 12.644 -55.000 -12.840 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 12.972 -54.753 -11.383 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 16.429 -59.404 -5.685 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 15.777 -58.709 -5.596 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 16.894 -59.194 -6.495 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 12.363 -60.398 -3.959 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 12.443 -59.635 -3.387 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 11.762 -60.119 -4.650 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 5.478 -54.514 -8.463 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 5.383 -55.092 -9.220 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 6.207 -54.885 -7.967 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 4.478 -59.173 -7.511 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 5.043 -59.052 -8.274 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 4.797 -58.536 -6.872 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 2.278 -58.576 -3.565 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 2.348 -57.925 -2.867 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 1.387 -58.473 -3.900 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 -0.806 -56.509 -4.740 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 -1.307 -56.537 -5.555 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 -0.800 -57.415 -4.430 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 -1.055 -53.729 -7.856 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 -0.109 -53.873 -7.875 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 -1.168 -52.945 -7.319 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 2.189 -50.928 -11.711 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 2.341 -51.276 -10.832 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 1.338 -51.284 -11.966 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 11.637 -50.563 -16.489 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 12.012 -51.307 -16.960 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 11.641 -50.833 -15.571 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 14.294 -61.570 -1.694 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 13.887 -61.089 -2.414 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 14.335 -62.475 -2.001 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 12.051 -63.238 -3.473 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 11.537 -63.364 -2.676 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 11.896 -62.326 -3.718 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 4.153 -61.750 -6.606 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 3.511 -61.791 -5.897 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 4.190 -60.824 -6.844 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 8.788 -60.938 -1.389 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 8.225 -61.642 -1.069 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 9.614 -61.058 -0.922 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 1.903 -61.430 -4.739 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 1.865 -61.030 -3.871 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 1.412 -62.247 -4.649 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 9.954 -60.029 -5.392 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 10.278 -60.660 -6.035 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 9.514 -60.564 -4.731 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 7.222 -56.713 -14.622 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 6.478 -57.220 -14.945 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 7.088 -56.664 -13.676 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 14.372 -57.580 -5.836 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 15.014 -57.123 -6.379 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 13.542 -57.467 -6.298 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 2.347 -57.418 -8.853 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 3.092 -57.420 -9.454 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 2.425 -58.242 -8.371 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 9.348 -55.254 -15.597 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 9.053 -54.428 -15.215 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 8.645 -55.874 -15.401 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 -0.645 -58.957 -3.538 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 -0.422 -59.375 -2.706 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 -1.247 -59.570 -3.960 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 6.372 -59.440 -1.325 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 6.076 -59.606 -2.220 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 7.303 -59.660 -1.335 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 15.019 -53.036 -14.603 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 14.646 -53.862 -14.293 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 15.296 -53.219 -15.500 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 12.179 -58.228 -7.581 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 11.251 -58.460 -7.608 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 12.630 -59.005 -7.911 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 4.722 -53.900 -11.448 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 5.249 -53.127 -11.649 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 3.842 -53.675 -11.750 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 6.149 -56.237 -11.872 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 5.908 -55.312 -11.830 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 5.409 -56.696 -11.476 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 4.833 -51.215 -12.327 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 3.883 -51.110 -12.275 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 5.184 -50.395 -11.982 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 16.915 -50.580 -16.581 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 17.658 -49.994 -16.721 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 16.220 -50.012 -16.248 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 5.439 -54.378 -15.879 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 5.586 -54.898 -15.089 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 5.436 -53.471 -15.573 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 8.177 -52.680 -15.130 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 7.360 -52.183 -15.077 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 8.706 -52.205 -15.770 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 8.244 -62.097 -3.973 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 8.363 -61.523 -3.216 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 8.899 -62.785 -3.858 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 5.515 -51.637 -15.148 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 5.676 -50.837 -15.649 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 5.318 -51.330 -14.263 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 13.050 -60.439 -9.042 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 12.253 -60.854 -9.371 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 13.495 -61.130 -8.551 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 8.540 -52.085 -18.197 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 7.896 -52.716 -17.875 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 9.302 -52.616 -18.429 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 13.144 -52.268 -17.963 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 13.427 -53.062 -17.510 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 13.884 -52.035 -18.524 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 0.590 -59.502 -0.818 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 0.998 -60.359 -0.939 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 0.330 -59.487 0.103 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 4.537 -60.493 -3.444 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 3.919 -59.818 -3.163 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 4.881 -60.172 -4.277 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 6.871 -59.329 -4.629 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 7.622 -59.485 -5.202 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 6.532 -58.477 -4.905 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 11.287 -61.514 0.399 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 11.479 -62.445 0.288 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 12.144 -61.089 0.389 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 3.355 -61.940 -0.450 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 2.588 -62.472 -0.660 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 4.034 -62.250 -1.049 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 7.359 -62.990 -0.874 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 7.123 -63.210 0.028 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 6.576 -63.197 -1.383 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 10.075 -63.863 -1.798 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 9.127 -63.831 -1.666 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 10.387 -64.488 -1.144 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 11.709 -65.229 0.207 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 11.612 -66.181 0.201 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 11.387 -64.960 1.068 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 6.217 -49.452 -16.536 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 7.150 -49.294 -16.392 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 5.953 -48.777 -17.161 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 -1.566 -49.423 -11.976 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 -2.213 -49.885 -12.509 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 -1.211 -50.095 -11.393 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 -0.696 -51.342 -10.171 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 -1.030 -52.223 -9.999 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 -0.474 -50.997 -9.307 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 16.853 -50.533 -7.191 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 16.831 -50.348 -6.252 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 17.543 -49.964 -7.532 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 16.321 -56.081 -7.345 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 17.155 -56.459 -7.626 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 16.433 -55.138 -7.464 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 -0.616 -58.267 -7.720 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 -0.432 -58.349 -8.655 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 0.233 -58.391 -7.296 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 16.702 -60.472 -1.407 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 15.839 -60.851 -1.572 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 17.306 -61.211 -1.481 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 14.700 -61.444 -5.056 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 13.857 -61.176 -4.690 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 15.143 -60.622 -5.267 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 13.591 -50.443 -11.619 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 14.244 -50.790 -12.227 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 14.102 -49.954 -10.973 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 0.747 -50.660 -7.859 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 0.728 -51.085 -7.002 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 1.552 -50.978 -8.268 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 2.888 -51.950 -9.204 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 2.669 -52.866 -9.035 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 3.712 -51.810 -8.738 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 5.425 -51.480 -8.356 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 5.638 -52.368 -8.643 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 5.490 -51.514 -7.401 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 8.862 -50.226 -16.291 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 9.728 -49.860 -16.469 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 8.615 -50.666 -17.104 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 15.571 -50.663 -13.611 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 15.377 -51.411 -14.176 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 15.532 -49.905 -14.195 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 10.339 -58.026 7.425 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 10.428 -57.082 7.293 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 9.700 -58.301 6.767 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 9.272 -58.771 10.844 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 9.234 -59.417 11.549 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 8.949 -59.237 10.073 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 1.640 -59.156 12.437 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 1.682 -59.782 13.161 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 2.343 -58.533 12.619 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 12.978 -55.832 9.146 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 12.537 -56.552 9.596 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 12.965 -55.111 9.776 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 -0.826 -61.046 6.365 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 -1.274 -60.200 6.347 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 -1.387 -61.626 5.850 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 -0.116 -58.884 8.491 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 0.098 -59.654 9.018 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 0.622 -58.795 7.888 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 3.957 -63.843 8.850 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 4.000 -62.983 8.432 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 3.499 -64.395 8.217 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 0.577 -61.446 9.612 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 1.231 -61.996 10.044 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 0.601 -61.720 8.696 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 5.733 -59.896 8.828 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 6.349 -60.422 9.337 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 5.147 -60.536 8.424 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 10.136 -55.425 6.468 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 9.840 -55.747 5.617 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 9.812 -54.525 6.510 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 2.361 -63.033 10.877 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 2.974 -62.400 11.250 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 2.873 -63.505 10.220 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 11.742 -52.211 8.119 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 12.167 -52.918 7.634 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 12.059 -51.410 7.702 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 12.901 -54.310 6.628 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 12.644 -55.000 6.016 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 12.972 -54.753 7.473 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 14.587 -55.744 15.105 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 14.727 -56.335 14.366 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 14.755 -54.871 14.749 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 12.466 -58.572 5.829 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 11.734 -58.344 6.402 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 12.913 -59.286 6.284 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 10.787 -53.670 12.079 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 10.546 -53.008 12.727 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 10.589 -54.504 12.504 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 2.278 -58.576 15.291 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 2.348 -57.925 15.989 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 1.387 -58.473 14.956 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 3.101 -58.872 5.301 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 2.809 -58.104 4.810 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 2.427 -59.532 5.138 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 -0.806 -56.509 14.116 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 -1.307 -56.537 13.301 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 -0.800 -57.415 14.426 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 8.387 -64.501 1.814 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 8.133 -64.482 2.737 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 8.130 -65.373 1.513 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 4.153 -61.750 12.250 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 3.511 -61.791 12.959 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 4.190 -60.824 12.012 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 4.150 -61.529 7.162 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 3.257 -61.870 7.103 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 4.601 -61.906 6.406 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 9.686 -61.113 5.979 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 9.277 -60.298 5.687 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 10.406 -61.253 5.364 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 8.788 -60.938 17.467 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 8.225 -61.642 17.787 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 9.614 -61.058 17.934 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 10.690 -61.667 8.793 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 10.495 -61.062 8.078 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 10.872 -62.501 8.358 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 1.903 -61.430 14.117 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 1.865 -61.030 14.985 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 1.412 -62.247 14.207 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 -0.214 -63.568 3.391 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 0.260 -62.977 2.806 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 -0.932 -63.037 3.738 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 1.560 -62.473 7.075 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 0.671 -62.373 6.735 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 1.856 -63.315 6.729 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 5.213 -62.473 4.731 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 6.145 -62.344 4.909 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 4.998 -61.803 4.082 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 3.887 -61.278 2.298 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 3.345 -61.658 1.607 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 4.721 -61.084 1.869 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 14.424 -49.195 17.789 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 14.624 -48.771 16.954 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 15.080 -48.852 18.396 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 2.022 -56.721 17.397 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 2.755 -56.467 17.958 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 1.242 -56.517 17.912 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 8.052 -61.314 10.135 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 8.616 -61.861 9.588 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 7.904 -61.836 10.924 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 6.678 -62.926 12.549 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 5.843 -62.472 12.659 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 7.202 -62.650 13.301 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 11.120 -63.899 2.433 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 10.182 -63.787 2.282 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 11.417 -63.042 2.739 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 8.742 -56.529 15.471 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 8.396 -56.910 16.277 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 8.542 -55.595 15.542 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 11.838 -62.032 4.094 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 12.730 -62.169 4.413 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 11.895 -61.241 3.557 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 -0.645 -58.957 15.318 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 -0.422 -59.375 16.150 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 -1.247 -59.570 14.896 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 6.372 -59.440 17.531 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 6.076 -59.606 16.636 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 7.303 -59.660 17.521 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 10.992 -54.067 15.421 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 10.091 -53.884 15.153 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 11.026 -53.808 16.342 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 16.723 -61.822 3.788 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 16.169 -62.218 3.116 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 16.824 -60.912 3.511 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 0.477 -59.038 1.995 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 1.093 -58.411 2.374 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 -0.385 -58.722 2.266 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 10.208 -55.989 13.000 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 9.782 -56.216 13.826 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 10.789 -56.727 12.817 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 12.867 -51.437 15.469 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 12.265 -51.992 14.974 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 13.148 -50.770 14.843 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 1.892 -57.125 3.487 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 1.206 -56.773 4.054 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 2.415 -56.362 3.241 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 10.508 -64.811 4.863 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 10.728 -64.339 4.060 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 11.066 -64.416 5.534 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 7.708 -63.083 5.698 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 8.520 -62.579 5.744 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 7.463 -63.228 6.612 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 0.824 -61.847 1.500 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 0.779 -60.908 1.679 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 -0.064 -62.083 1.230 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 14.137 -51.183 11.436 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 13.981 -50.505 10.779 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 15.069 -51.111 11.639 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 -0.242 -56.702 18.618 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 -0.098 -57.604 18.332 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 -1.015 -56.416 18.130 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 6.413 -56.732 18.051 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 6.085 -56.461 17.193 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 6.565 -57.673 17.963 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 12.148 -56.816 15.434 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 12.893 -56.228 15.314 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 11.391 -56.234 15.497 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 0.590 -59.502 18.038 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 0.998 -60.359 17.917 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 0.330 -59.487 18.959 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 4.537 -60.493 15.412 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 3.919 -59.818 15.693 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 4.881 -60.172 14.579 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 6.319 -60.143 1.319 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 6.139 -60.297 0.391 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 7.270 -60.035 1.363 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 9.557 -58.022 18.690 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 10.510 -57.938 18.662 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 9.397 -58.733 19.309 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 6.871 -59.329 14.227 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 7.622 -59.485 13.654 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 6.532 -58.477 13.951 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 12.603 -58.725 17.333 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 12.322 -58.016 16.755 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 13.546 -58.798 17.182 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 16.853 -50.533 11.665 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 16.831 -50.348 12.604 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 17.543 -49.964 11.324 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 16.416 -50.966 14.587 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 15.929 -51.701 14.216 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 16.965 -51.359 15.265 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 14.867 -55.176 19.225 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 14.001 -55.281 19.619 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 15.243 -54.417 19.672 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 16.562 -58.866 6.563 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 15.836 -59.345 6.961 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 17.143 -58.660 7.295 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 14.808 -53.203 13.818 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 14.160 -52.878 14.443 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 14.290 -53.643 13.143 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 16.830 -58.965 2.954 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 16.309 -58.608 2.235 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 16.797 -58.290 3.632 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 15.179 -61.725 1.505 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 15.276 -61.058 0.825 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 15.039 -62.541 1.023 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 14.349 -60.345 7.126 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 14.199 -61.290 7.106 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 13.995 -60.064 7.970 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 -0.616 -58.267 11.136 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 -0.432 -58.349 10.201 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 0.233 -58.391 11.560 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 15.205 -58.375 16.765 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 15.788 -59.109 16.956 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 15.769 -57.603 16.811 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 14.427 -64.317 0.622 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 15.037 -64.689 1.259 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 13.590 -64.739 0.818 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 14.059 -62.762 5.588 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 14.339 -63.669 5.713 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 14.818 -62.328 5.199 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 -1.493 -61.685 11.237 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 -1.001 -61.906 10.447 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 -1.131 -60.844 11.518 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 10.837 -50.917 13.237 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 9.933 -50.752 12.971 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 11.266 -50.064 13.171 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 13.442 -49.347 13.532 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 13.260 -48.431 13.321 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 13.618 -49.757 12.685 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 14.789 -51.912 17.395 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 14.007 -52.098 16.875 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 14.717 -50.983 17.612 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 10.089 -50.727 28.214 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 10.709 -51.404 27.941 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 9.881 -50.945 29.122 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 10.136 -55.425 25.324 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 9.840 -55.747 24.473 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 9.812 -54.525 25.366 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 11.742 -52.211 26.975 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 12.167 -52.918 26.490 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 12.059 -51.410 26.558 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 12.901 -54.310 25.484 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 12.644 -55.000 24.872 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 12.972 -54.753 26.329 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 9.060 -58.782 23.733 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 8.348 -58.247 23.382 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 9.751 -58.726 23.073 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 9.114 -60.324 20.772 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 9.815 -60.302 21.423 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 9.416 -60.952 20.116 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 12.466 -58.572 24.685 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 11.734 -58.344 25.258 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 12.913 -59.286 25.140 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 11.337 -59.410 22.370 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 11.916 -59.260 23.117 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 11.751 -58.939 21.647 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 9.063 -52.673 25.805 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 9.537 -52.378 26.583 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 8.500 -51.935 25.572 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 16.225 -53.294 20.560 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 16.298 -52.355 20.730 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 17.130 -53.599 20.503 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 8.535 -49.717 24.220 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 8.460 -49.838 23.274 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 8.568 -48.767 24.339 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 2.189 -50.928 26.001 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 2.341 -51.276 26.880 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 1.338 -51.284 25.746 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 11.306 -50.637 23.972 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 10.371 -50.537 24.151 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 11.586 -51.346 24.550 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 12.814 -58.377 20.000 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 12.856 -58.600 19.070 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 13.663 -57.979 20.190 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 7.222 -56.713 23.090 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 6.478 -57.220 22.767 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 7.088 -56.664 24.036 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 15.019 -53.036 23.109 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 14.646 -53.862 23.419 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 15.296 -53.219 22.212 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 4.722 -53.900 26.264 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 5.249 -53.127 26.063 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 3.842 -53.675 25.962 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 6.149 -56.237 25.840 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 5.908 -55.312 25.882 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 5.409 -56.696 26.236 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 4.833 -51.215 25.385 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 3.883 -51.110 25.437 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 5.184 -50.395 25.730 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 16.915 -50.580 21.131 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 17.658 -49.994 20.991 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 16.220 -50.012 21.464 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 13.277 -56.387 23.156 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 13.000 -57.115 23.712 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 14.204 -56.268 23.362 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 5.439 -54.378 21.833 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 5.586 -54.898 22.623 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 5.436 -53.471 22.139 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 2.508 -54.511 21.240 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 3.100 -53.812 21.516 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 2.967 -54.944 20.521 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 0.562 -53.125 25.190 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 -0.270 -52.652 25.217 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 1.108 -52.615 24.591 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 4.099 -56.358 19.606 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 4.163 -57.152 20.137 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 4.752 -56.477 18.917 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 5.248 -58.386 21.912 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 4.789 -58.870 22.598 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 5.503 -59.054 21.276 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 6.319 -60.143 20.175 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 6.139 -60.297 19.247 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 7.270 -60.035 20.219 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 15.709 -57.788 19.620 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 15.436 -58.213 18.807 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 15.749 -56.857 19.403 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 -0.215 -54.816 20.659 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 0.699 -54.737 20.932 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 -0.208 -55.503 19.992 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 -1.566 -49.423 25.736 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 -2.213 -49.885 25.203 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 -1.211 -50.095 26.319 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 -0.696 -51.342 27.541 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 -1.030 -52.223 27.713 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 -0.474 -50.997 28.405 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 13.591 -50.443 26.093 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 14.244 -50.790 25.485 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 14.102 -49.954 26.739 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 -0.002 -51.436 23.024 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 -0.687 -51.474 22.356 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 0.001 -50.523 23.312 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 15.571 -50.663 24.101 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 15.377 -51.411 23.536 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 15.532 -49.905 23.517 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 3.597 -33.846 -20.886 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 3.605 -33.982 -21.834 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 2.681 -33.964 -20.634 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 1.443 -36.330 -22.553 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 1.660 -36.691 -21.693 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 0.588 -36.704 -22.763 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 2.022 -37.865 -20.315 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 2.755 -37.611 -19.754 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 1.242 -37.661 -19.800 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 6.372 -40.584 -20.181 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 6.076 -40.750 -21.076 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 7.303 -40.804 -20.191 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 -0.149 -31.656 -20.048 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 0.391 -31.873 -19.289 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 -0.630 -32.462 -20.238 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 4.448 -32.737 -18.428 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 5.216 -33.196 -18.087 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 4.427 -32.963 -19.358 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 -0.242 -37.846 -19.094 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 -0.098 -38.748 -19.380 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 -1.015 -37.560 -19.582 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 6.413 -37.876 -19.661 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 6.085 -37.605 -20.519 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 6.565 -38.817 -19.749 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 0.590 -40.646 -19.674 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 0.998 -41.503 -19.795 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 0.330 -40.631 -18.753 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 3.355 -43.084 -19.306 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 2.588 -43.616 -19.516 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 4.034 -43.394 -19.905 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 11.709 -46.373 -18.649 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 11.612 -47.325 -18.655 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 11.387 -46.104 -17.788 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 1.536 -45.163 -19.601 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 1.747 -45.870 -20.212 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 1.424 -45.601 -18.757 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 6.670 -47.479 -18.568 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 6.539 -47.955 -19.389 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 6.071 -46.735 -18.624 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 -1.018 -44.140 -20.435 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 -0.099 -44.262 -20.199 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 -1.468 -44.890 -20.046 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 0.976 -34.658 -19.932 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 0.155 -34.483 -20.392 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 0.724 -34.731 -19.011 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 8.241 -32.284 -20.714 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 8.426 -32.618 -19.836 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 9.088 -31.975 -21.036 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 11.613 -49.129 -19.010 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 11.689 -49.555 -18.156 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 12.506 -49.115 -19.352 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 10.136 -36.569 -12.388 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 9.840 -36.891 -13.239 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 9.812 -35.669 -12.346 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 13.490 -35.136 -7.362 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 12.548 -35.078 -7.201 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 13.766 -34.230 -7.499 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 11.742 -33.355 -10.737 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 12.167 -34.062 -11.222 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 12.059 -32.554 -11.154 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 12.901 -35.454 -12.228 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 12.644 -36.144 -12.840 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 12.972 -35.897 -11.383 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 9.060 -39.926 -13.979 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 8.348 -39.391 -14.330 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 9.751 -39.870 -14.639 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 9.114 -41.468 -16.940 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 9.815 -41.446 -16.289 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 9.416 -42.096 -17.596 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 11.337 -40.554 -15.342 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 11.916 -40.404 -14.595 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 11.751 -40.083 -16.065 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 15.035 -48.804 -15.529 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 14.136 -48.665 -15.234 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 15.287 -47.973 -15.931 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 11.637 -31.707 -16.489 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 12.012 -32.451 -16.960 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 11.641 -31.977 -15.571 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 8.387 -45.645 -17.042 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 8.133 -45.626 -16.119 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 8.130 -46.517 -17.343 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 9.686 -42.257 -12.877 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 9.277 -41.442 -13.169 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 10.406 -42.397 -13.492 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 5.269 -45.200 -17.941 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 4.838 -45.645 -17.211 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 4.551 -44.828 -18.453 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 -0.214 -44.712 -15.465 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 0.260 -44.121 -16.050 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 -0.932 -44.181 -15.118 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 5.213 -43.617 -14.125 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 6.145 -43.488 -13.947 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 4.998 -42.947 -14.774 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 3.054 -46.322 -12.303 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 2.737 -47.224 -12.338 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 3.835 -46.320 -12.855 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 7.222 -37.857 -14.622 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 6.478 -38.364 -14.945 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 7.088 -37.808 -13.676 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 11.120 -45.043 -16.423 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 10.182 -44.931 -16.574 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 11.417 -44.186 -16.117 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 11.838 -43.176 -14.762 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 12.730 -43.313 -14.443 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 11.895 -42.385 -15.299 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 9.348 -36.398 -15.597 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 9.053 -35.572 -15.215 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 8.645 -37.018 -15.401 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 16.723 -42.966 -15.068 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 16.169 -43.362 -15.740 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 16.824 -42.056 -15.345 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 15.019 -34.180 -14.603 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 14.646 -35.006 -14.293 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 15.296 -34.363 -15.500 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 12.411 -36.204 -16.782 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 12.764 -36.584 -15.978 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 11.462 -36.297 -16.696 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 13.277 -37.531 -14.556 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 13.000 -38.259 -14.000 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 14.204 -37.412 -14.350 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 6.502 -35.092 -18.335 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 6.741 -35.840 -18.883 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 6.233 -35.480 -17.503 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 5.439 -35.522 -15.879 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 5.586 -36.042 -15.089 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 5.436 -34.615 -15.573 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 8.177 -33.824 -15.130 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 7.360 -33.327 -15.077 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 8.706 -33.349 -15.770 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 4.249 -46.083 -15.532 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 4.166 -45.194 -15.186 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 5.139 -46.348 -15.301 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 8.540 -33.229 -18.197 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 7.896 -33.860 -17.875 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 9.302 -33.760 -18.429 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 13.144 -33.412 -17.963 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 13.427 -34.206 -17.510 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 13.884 -33.179 -18.524 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 4.099 -37.502 -18.106 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 4.163 -38.296 -17.575 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 4.752 -37.621 -18.795 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 9.451 -36.455 -18.370 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 9.183 -36.275 -17.469 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 9.245 -37.381 -18.501 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 5.248 -39.530 -15.800 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 4.789 -40.014 -15.114 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 5.503 -40.198 -16.436 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 6.319 -41.287 -17.537 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 6.139 -41.441 -18.465 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 7.270 -41.179 -17.493 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 16.853 -31.677 -7.191 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 16.831 -31.492 -6.252 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 17.543 -31.108 -7.532 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 16.168 -38.063 -14.117 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 17.018 -37.642 -13.989 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 16.173 -38.803 -13.509 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 16.562 -40.010 -12.293 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 15.836 -40.489 -11.895 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 17.143 -39.804 -11.561 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 16.321 -37.225 -7.345 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 17.155 -37.603 -7.626 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 16.433 -36.282 -7.464 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 16.830 -40.109 -15.902 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 16.309 -39.752 -16.621 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 16.797 -39.434 -15.224 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 15.179 -42.869 -17.351 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 15.276 -42.202 -18.031 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 15.039 -43.685 -17.833 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 14.427 -45.461 -18.234 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 15.037 -45.833 -17.597 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 13.590 -45.883 -18.038 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 16.539 -46.576 -16.691 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 16.952 -47.297 -17.167 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 17.221 -45.906 -16.633 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 13.591 -31.587 -11.619 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 14.244 -31.934 -12.227 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 14.102 -31.098 -10.973 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 -1.216 -47.833 -5.220 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 -1.881 -48.079 -4.577 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 -1.659 -47.211 -5.797 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 1.260 -48.326 -11.389 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 0.483 -48.560 -11.897 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 1.791 -49.123 -11.381 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 0.097 -48.528 -15.586 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 0.536 -47.917 -16.177 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 -0.537 -47.990 -15.112 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 12.750 -48.343 -14.234 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 12.047 -47.729 -14.444 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 12.305 -49.181 -14.103 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 1.958 -46.612 -17.143 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 2.449 -47.242 -17.671 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 2.581 -46.316 -16.480 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 6.984 -46.319 -14.686 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 7.162 -46.965 -14.003 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 6.930 -45.485 -14.219 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 15.571 -31.807 -13.611 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 15.377 -32.555 -14.176 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 15.532 -31.049 -14.195 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 16.983 -48.608 19.154 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 17.333 -49.262 18.548 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 17.130 -47.771 18.714 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 15.504 -48.409 15.322 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 14.691 -48.084 14.934 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 15.737 -49.169 14.789 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 9.272 -39.915 29.700 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 9.234 -40.561 30.405 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 8.949 -40.381 28.929 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 1.640 -40.300 31.293 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 1.682 -40.926 32.017 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 2.343 -39.677 31.475 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 12.978 -36.976 28.002 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 12.537 -37.696 28.452 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 12.965 -36.255 28.632 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 2.564 -35.850 29.828 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 2.194 -36.652 29.459 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 3.505 -36.019 29.875 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 10.089 -31.871 28.214 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 10.709 -32.548 27.941 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 9.881 -32.089 29.122 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 7.661 -37.482 30.106 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 7.965 -38.168 29.512 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 8.383 -37.364 30.724 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 3.957 -44.987 27.706 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 4.000 -44.127 27.288 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 3.499 -45.539 27.073 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 11.679 -44.856 26.107 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 12.325 -45.185 26.732 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 12.189 -44.338 25.484 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 5.733 -41.040 27.684 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 6.349 -41.566 28.193 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 5.147 -41.680 27.280 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 10.136 -36.569 25.324 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 9.840 -36.891 24.473 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 9.812 -35.669 25.366 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 2.361 -44.177 29.733 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 2.974 -43.544 30.106 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 2.873 -44.649 29.076 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 13.490 -35.136 30.350 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 12.548 -35.078 30.511 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 13.766 -34.230 30.213 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 11.742 -33.355 26.975 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 12.167 -34.062 26.490 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 12.059 -32.554 26.558 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 5.478 -35.658 29.249 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 5.383 -36.236 28.492 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 6.207 -36.029 29.745 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 4.478 -40.317 30.201 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 5.043 -40.196 29.438 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 4.797 -39.680 30.840 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 10.787 -34.814 30.935 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 10.546 -34.152 31.583 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 10.589 -35.648 31.360 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 9.063 -33.817 25.805 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 9.537 -33.522 26.583 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 8.500 -33.079 25.572 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 15.035 -48.804 22.183 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 14.136 -48.665 22.478 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 15.287 -47.973 21.781 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 -1.055 -34.873 29.856 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 -0.109 -35.017 29.837 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 -1.168 -34.089 30.393 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 4.062 -47.860 30.011 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 3.201 -47.947 29.603 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 4.040 -47.004 30.438 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 4.153 -42.894 31.106 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 3.511 -42.935 31.815 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 4.190 -41.968 30.868 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 10.690 -42.811 27.649 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 10.495 -42.206 26.934 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 10.872 -43.645 27.214 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 6.732 -45.246 27.104 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 5.821 -45.189 27.393 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 7.237 -45.306 27.915 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 8.052 -42.458 28.991 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 8.616 -43.005 28.444 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 7.904 -42.980 29.780 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 2.347 -38.562 28.859 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 3.092 -38.564 28.258 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 2.425 -39.386 29.341 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 16.723 -42.966 22.644 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 16.169 -43.362 21.972 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 16.824 -42.056 22.367 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 12.179 -39.372 30.131 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 11.251 -39.604 30.104 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 12.630 -40.149 29.801 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 6.149 -37.381 25.840 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 5.908 -36.456 25.882 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 5.409 -37.840 26.236 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 16.915 -31.724 21.131 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 17.658 -31.138 20.991 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 16.220 -31.156 21.464 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 10.508 -45.955 23.719 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 10.728 -45.483 22.916 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 11.066 -45.560 24.390 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 8.592 -47.146 25.492 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 8.245 -46.528 26.137 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 9.250 -46.645 25.011 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 13.050 -41.583 28.670 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 12.253 -41.998 28.341 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 13.495 -42.274 29.161 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 14.137 -32.327 30.292 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 13.981 -31.649 29.635 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 15.069 -32.255 30.495 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 1.632 -48.209 29.029 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 1.403 -48.150 28.102 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 1.189 -49.001 29.336 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 -0.696 -32.486 27.541 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 -1.030 -33.367 27.713 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 -0.474 -32.141 28.405 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 16.853 -31.677 30.521 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 16.831 -31.492 31.460 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 17.543 -31.108 30.180 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 16.168 -38.063 23.595 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 17.018 -37.642 23.723 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 16.173 -38.803 24.203 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 16.562 -40.010 25.419 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 15.836 -40.489 25.817 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 17.143 -39.804 26.151 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 16.321 -37.225 30.367 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 17.155 -37.603 30.086 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 16.433 -36.282 30.248 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 16.830 -40.109 21.810 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 16.309 -39.752 21.091 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 16.797 -39.434 22.488 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 14.349 -41.489 25.982 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 14.199 -42.434 25.962 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 13.995 -41.208 26.826 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 -0.616 -39.411 29.992 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 -0.432 -39.493 29.057 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 0.233 -39.535 30.416 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 14.059 -43.906 24.444 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 14.339 -44.813 24.569 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 14.818 -43.472 24.055 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 14.673 -46.643 24.493 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 14.855 -47.092 25.318 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 14.073 -47.228 24.029 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 0.203 -45.828 29.024 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 0.648 -46.620 29.326 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 0.669 -45.112 29.455 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 -1.493 -42.829 30.093 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 -1.001 -43.050 29.303 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 -1.131 -41.988 30.374 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 16.539 -46.576 21.021 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 16.952 -47.297 20.545 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 17.221 -45.906 21.079 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 0.747 -31.804 29.853 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 0.728 -32.229 30.710 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 1.552 -32.122 29.444 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 2.888 -33.094 28.508 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 2.669 -34.010 28.677 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 3.712 -32.954 28.974 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 5.425 -32.624 29.356 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 5.638 -33.512 29.069 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 5.490 -32.658 30.311 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 8.934 -46.960 28.501 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 8.259 -47.589 28.756 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 9.498 -47.444 27.898 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 1.260 -48.326 26.323 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 0.483 -48.560 25.815 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 1.791 -49.123 26.331 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 5.840 -48.399 26.136 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 6.714 -48.011 26.106 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 5.704 -48.614 27.059 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 12.750 -48.343 23.478 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 12.047 -47.729 23.268 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 12.305 -49.181 23.609 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 9.272 -21.059 -26.868 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 9.234 -21.705 -26.163 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 8.949 -21.525 -27.639 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 2.564 -16.994 -26.740 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 2.194 -17.796 -27.109 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 3.505 -17.163 -26.693 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 10.089 -13.015 -28.354 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 10.709 -13.692 -28.627 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 9.881 -13.233 -27.446 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 7.661 -18.626 -26.462 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 7.965 -19.312 -27.056 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 8.383 -18.508 -25.844 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 5.336 -19.537 -24.500 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 4.596 -18.939 -24.397 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 6.050 -18.983 -24.816 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 13.490 -16.280 -26.218 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 12.548 -16.222 -26.057 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 13.766 -15.374 -26.355 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 14.587 -18.032 -22.607 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 14.727 -18.623 -23.346 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 14.755 -17.159 -22.963 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 5.478 -16.802 -27.319 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 5.383 -17.380 -28.076 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 6.207 -17.173 -26.823 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 4.478 -21.461 -26.367 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 5.043 -21.340 -27.130 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 4.797 -20.824 -25.728 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 10.787 -15.958 -25.633 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 10.546 -15.296 -24.985 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 10.589 -16.792 -25.208 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 2.278 -20.864 -22.421 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 2.348 -20.213 -21.723 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 1.387 -20.761 -22.756 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 -0.806 -18.797 -23.596 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 -1.307 -18.825 -24.411 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 -0.800 -19.703 -23.286 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 14.294 -23.858 -20.550 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 13.887 -23.377 -21.270 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 14.335 -24.763 -20.857 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 1.443 -17.474 -22.553 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 1.660 -17.835 -21.693 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 0.588 -17.848 -22.763 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 8.788 -23.226 -20.245 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 8.225 -23.930 -19.925 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 9.614 -23.346 -19.778 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 9.954 -22.317 -24.248 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 10.278 -22.948 -24.891 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 9.514 -22.852 -23.587 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 14.424 -11.483 -19.923 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 14.624 -11.059 -20.758 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 15.080 -11.140 -19.316 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 2.022 -19.009 -20.315 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 2.755 -18.755 -19.754 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 1.242 -18.805 -19.800 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 6.372 -21.728 -20.181 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 6.076 -21.894 -21.076 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 7.303 -21.948 -20.191 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 10.208 -18.277 -24.712 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 9.782 -18.504 -23.886 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 10.789 -19.015 -24.895 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 12.867 -13.725 -22.243 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 12.265 -14.280 -22.738 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 13.148 -13.058 -22.869 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 0.989 -26.492 -22.836 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 0.096 -26.153 -22.903 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 0.890 -27.347 -22.418 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 0.640 -14.687 -24.401 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 0.857 -15.619 -24.432 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 0.887 -14.413 -23.517 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 -0.242 -18.990 -19.094 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 -0.098 -19.892 -19.380 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 -1.015 -18.704 -19.582 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 12.148 -19.104 -22.278 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 12.893 -18.516 -22.398 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 11.391 -18.522 -22.215 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 0.590 -21.790 -19.674 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 0.998 -22.647 -19.795 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 0.330 -21.775 -18.753 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 4.537 -22.781 -22.300 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 3.919 -22.106 -22.019 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 4.881 -22.460 -23.133 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 4.877 -25.426 -21.217 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 5.027 -26.155 -21.820 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 4.879 -24.649 -21.776 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 6.871 -21.617 -23.485 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 7.622 -21.773 -24.058 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 6.532 -20.765 -23.761 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 11.287 -23.802 -18.457 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 11.479 -24.733 -18.568 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 12.144 -23.377 -18.467 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 12.603 -21.013 -20.379 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 12.322 -20.304 -20.957 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 13.546 -21.086 -20.530 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 3.355 -24.228 -19.306 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 2.588 -24.760 -19.516 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 4.034 -24.538 -19.905 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 7.359 -25.278 -19.730 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 7.123 -25.498 -18.828 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 6.576 -25.485 -20.239 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 10.075 -26.151 -20.654 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 9.127 -26.119 -20.522 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 10.387 -26.776 -20.000 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 11.709 -27.517 -18.649 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 11.612 -28.469 -18.655 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 11.387 -27.248 -17.788 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 1.536 -26.307 -19.601 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 1.747 -27.014 -20.212 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 1.424 -26.745 -18.757 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 6.317 -30.306 -20.622 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 7.029 -30.946 -20.636 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 6.216 -30.039 -21.536 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 -1.566 -11.711 -30.832 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 -2.213 -12.173 -31.365 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 -1.211 -12.383 -30.249 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 14.867 -17.464 -18.487 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 14.001 -17.569 -18.093 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 15.243 -16.705 -18.040 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 14.808 -15.491 -23.894 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 14.160 -15.166 -23.269 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 14.290 -15.931 -24.569 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 -1.018 -25.284 -20.435 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 -0.099 -25.406 -20.199 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 -1.468 -26.034 -20.046 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 10.586 -12.143 -21.470 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 11.263 -12.775 -21.710 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 10.908 -11.741 -20.662 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 8.510 -12.083 -25.420 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 8.053 -11.554 -26.074 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 8.673 -11.480 -24.695 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 10.837 -13.205 -24.475 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 9.933 -13.040 -24.741 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 11.266 -12.352 -24.541 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 13.442 -11.635 -24.180 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 13.260 -10.719 -24.391 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 13.618 -12.045 -25.027 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 0.747 -12.948 -26.715 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 0.728 -13.373 -25.858 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 1.552 -13.266 -27.124 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 2.888 -14.238 -28.060 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 2.669 -15.154 -27.891 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 3.712 -14.098 -27.594 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 5.425 -13.768 -27.212 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 5.638 -14.656 -27.499 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 5.490 -13.802 -26.257 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 1.218 -28.956 -20.728 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 0.852 -29.721 -20.285 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 2.131 -28.927 -20.441 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 11.613 -30.273 -19.010 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 11.689 -30.699 -18.156 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 12.506 -30.259 -19.352 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 14.789 -14.200 -20.317 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 14.007 -14.386 -20.837 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 14.717 -13.271 -20.100 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 9.272 -21.059 -8.012 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 9.234 -21.705 -7.307 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 8.949 -21.525 -8.783 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 1.640 -21.444 -6.419 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 1.682 -22.070 -5.695 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 2.343 -20.821 -6.237 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 12.978 -18.120 -9.710 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 12.537 -18.840 -9.260 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 12.965 -17.399 -9.080 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 10.089 -13.015 -9.498 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 10.709 -13.692 -9.771 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 9.881 -13.233 -8.590 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 7.661 -18.626 -7.606 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 7.965 -19.312 -8.200 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 8.383 -18.508 -6.988 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 16.324 -27.025 -6.745 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 16.373 -26.415 -6.009 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 16.750 -26.564 -7.468 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 16.716 -25.547 -4.509 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 16.027 -24.889 -4.604 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 16.731 -25.744 -3.572 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 5.336 -19.537 -5.644 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 4.596 -18.939 -5.541 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 6.050 -18.983 -5.960 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 3.744 -17.573 -4.857 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 3.738 -16.694 -5.235 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 2.890 -17.656 -4.432 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 11.742 -14.499 -10.737 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 12.167 -15.206 -11.222 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 12.059 -13.698 -11.154 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 12.901 -16.598 -12.228 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 12.644 -17.288 -12.840 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 12.972 -17.041 -11.383 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 14.587 -18.032 -3.751 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 14.727 -18.623 -4.490 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 14.755 -17.159 -4.107 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 16.429 -21.692 -5.685 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 15.777 -20.997 -5.596 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 16.894 -21.482 -6.495 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 10.787 -15.958 -6.777 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 10.546 -15.296 -6.129 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 10.589 -16.792 -6.352 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 5.358 -17.062 -2.794 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 5.046 -16.280 -2.338 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 4.708 -17.215 -3.480 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 2.278 -20.864 -3.565 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 2.348 -20.213 -2.867 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 1.387 -20.761 -3.900 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 3.597 -14.990 -2.030 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 3.605 -15.126 -2.978 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 2.681 -15.108 -1.778 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 15.035 -29.948 -15.529 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 14.136 -29.809 -15.234 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 15.287 -29.117 -15.931 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 8.121 -15.777 -3.298 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 8.208 -14.951 -2.823 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 7.257 -16.107 -3.049 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 11.637 -12.851 -16.489 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 12.012 -13.595 -16.960 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 11.641 -13.121 -15.571 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 11.306 -12.925 -13.740 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 10.371 -12.825 -13.561 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 11.586 -13.634 -13.162 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 14.294 -23.858 -1.694 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 13.887 -23.377 -2.414 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 14.335 -24.763 -2.001 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 12.814 -20.665 -17.712 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 12.856 -20.888 -18.642 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 13.663 -20.267 -17.522 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 1.903 -23.718 -4.739 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 1.865 -23.318 -3.871 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 1.412 -24.535 -4.649 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 -1.489 -26.602 -10.889 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 -0.858 -26.631 -10.169 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 -1.039 -27.027 -11.619 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 2.022 -19.009 -1.459 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 2.755 -18.755 -0.898 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 1.242 -18.805 -0.944 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 14.372 -19.868 -5.836 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 15.014 -19.411 -6.379 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 13.542 -19.755 -6.298 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 8.742 -18.817 -3.385 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 8.396 -19.198 -2.579 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 8.542 -17.883 -3.314 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 -0.645 -21.245 -3.538 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 -0.422 -21.663 -2.706 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 -1.247 -21.858 -3.960 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 6.372 -21.728 -1.325 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 6.076 -21.894 -2.220 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 7.303 -21.948 -1.335 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 10.992 -16.355 -3.435 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 10.091 -16.172 -3.703 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 11.026 -16.096 -2.514 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 16.723 -24.110 -15.068 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 16.169 -24.506 -15.740 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 16.824 -23.200 -15.345 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 16.687 -18.310 -2.231 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 15.835 -18.072 -2.598 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 17.277 -18.327 -2.984 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 15.019 -15.324 -14.603 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 14.646 -16.150 -14.293 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 15.296 -15.507 -15.500 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 12.179 -20.516 -7.581 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 11.251 -20.748 -7.608 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 12.630 -21.293 -7.911 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 0.477 -21.326 -16.861 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 1.093 -20.699 -16.482 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 -0.385 -21.010 -16.590 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 6.664 -14.376 -5.557 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 7.027 -13.521 -5.790 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 7.196 -14.668 -4.816 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 10.208 -18.277 -5.856 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 9.782 -18.504 -5.030 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 10.789 -19.015 -6.039 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 12.411 -17.348 -16.782 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 12.764 -17.728 -15.978 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 11.462 -17.441 -16.696 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 13.277 -18.675 -14.556 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 13.000 -19.403 -14.000 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 14.204 -18.556 -14.350 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 13.050 -22.727 -9.042 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 12.253 -23.142 -9.371 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 13.495 -23.418 -8.551 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 4.448 -13.881 0.428 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 5.216 -14.340 0.769 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 4.427 -14.107 -0.502 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 11.025 -15.501 -0.843 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 10.674 -16.357 -0.600 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 11.751 -15.358 -0.236 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 13.144 -14.556 -17.963 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 13.427 -15.350 -17.510 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 13.884 -14.323 -18.524 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 -0.242 -18.990 -0.238 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 -0.098 -19.892 -0.524 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 -1.015 -18.704 -0.726 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 4.099 -18.646 -18.106 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 4.163 -19.440 -17.575 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 4.752 -18.765 -18.795 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 6.413 -19.020 -0.805 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 6.085 -18.749 -1.663 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 6.565 -19.961 -0.893 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 12.148 -19.104 -3.422 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 12.893 -18.516 -3.542 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 11.391 -18.522 -3.359 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 0.590 -21.790 -0.818 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 0.998 -22.647 -0.939 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 0.330 -21.775 0.103 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 4.537 -22.781 -3.444 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 3.919 -22.106 -3.163 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 4.881 -22.460 -4.277 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 9.557 -20.310 -0.166 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 10.510 -20.226 -0.194 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 9.397 -21.021 0.453 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 15.709 -20.076 -18.092 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 15.436 -20.501 -18.905 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 15.749 -19.145 -18.309 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 4.877 -25.426 -2.361 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 5.027 -26.155 -2.964 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 4.879 -24.649 -2.920 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 12.603 -21.013 -1.523 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 12.322 -20.304 -2.101 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 13.546 -21.086 -1.674 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 3.355 -24.228 -0.450 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 2.588 -24.760 -0.660 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 4.034 -24.538 -1.049 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 7.359 -25.278 -0.874 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 7.123 -25.498 0.028 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 6.576 -25.485 -1.383 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 1.536 -26.307 -0.745 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 1.747 -27.014 -1.356 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 1.424 -26.745 0.099 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 14.867 -17.464 0.369 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 14.001 -17.569 0.763 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 15.243 -16.705 0.816 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 16.168 -19.207 -14.117 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 17.018 -18.786 -13.989 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 16.173 -19.947 -13.509 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 16.562 -21.154 -12.293 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 15.836 -21.633 -11.895 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 17.143 -20.948 -11.561 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 16.830 -21.253 -15.902 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 16.309 -20.896 -16.621 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 16.797 -20.578 -15.224 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 15.179 -24.013 -17.351 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 15.276 -23.346 -18.031 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 15.039 -24.829 -17.833 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 15.205 -20.663 -2.091 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 15.788 -21.397 -1.900 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 15.769 -19.891 -2.045 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 16.702 -22.760 -1.407 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 15.839 -23.139 -1.572 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 17.306 -23.499 -1.481 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 14.427 -26.605 -18.234 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 15.037 -26.977 -17.597 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 13.590 -27.027 -18.038 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 14.671 -24.469 -7.832 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 15.604 -24.257 -7.866 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 14.436 -24.367 -6.909 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 -1.018 -25.284 -1.579 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 -0.099 -25.406 -1.343 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 -1.468 -26.034 -1.190 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 -1.493 -23.973 -7.619 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 -1.001 -24.194 -8.409 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 -1.131 -23.132 -7.338 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 16.539 -27.720 -16.691 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 16.952 -28.441 -17.167 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 17.221 -27.050 -16.633 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 -1.180 -27.715 -13.564 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 -2.105 -27.506 -13.694 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 -0.726 -27.231 -14.254 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 13.591 -12.731 -11.619 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 14.244 -13.078 -12.227 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 14.102 -12.242 -10.973 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 3.930 -14.827 -4.817 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 3.505 -14.018 -5.100 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 4.835 -14.742 -5.119 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 3.799 -11.971 -5.740 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 2.934 -11.899 -5.336 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 3.744 -11.424 -6.524 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 8.510 -12.083 -6.564 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 8.053 -11.554 -7.218 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 8.673 -11.480 -5.839 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 10.837 -13.205 -5.619 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 9.933 -13.040 -5.885 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 11.266 -12.352 -5.685 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 15.803 -28.858 -10.765 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 16.415 -29.372 -11.292 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 16.186 -27.980 -10.742 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 1.640 -21.444 12.437 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 1.682 -22.070 13.161 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 2.343 -20.821 12.619 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 12.978 -18.120 9.146 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 12.537 -18.840 9.596 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 12.965 -17.399 9.776 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 2.564 -16.994 10.972 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 2.194 -17.796 10.603 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 3.505 -17.163 11.019 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 -0.826 -23.334 6.365 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 -1.274 -22.488 6.347 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 -1.387 -23.914 5.850 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 -0.116 -21.172 8.491 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 0.098 -21.942 9.018 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 0.622 -21.083 7.888 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 10.089 -13.015 9.358 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 10.709 -13.692 9.085 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 9.881 -13.233 10.266 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 10.802 -24.232 11.578 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 10.945 -25.179 11.598 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 10.696 -24.025 10.649 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 5.336 -19.537 13.212 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 4.596 -18.939 13.315 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 6.050 -18.983 12.896 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 3.744 -17.573 13.999 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 3.738 -16.694 13.621 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 2.890 -17.656 14.424 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 13.490 -16.280 11.494 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 12.548 -16.222 11.655 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 13.766 -15.374 11.357 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 11.742 -14.499 8.119 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 12.167 -15.206 7.634 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 12.059 -13.698 7.702 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 12.901 -16.598 6.628 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 12.644 -17.288 6.016 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 12.972 -17.041 7.473 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 14.587 -18.032 15.105 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 14.727 -18.623 14.366 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 14.755 -17.159 14.749 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 9.114 -22.612 1.916 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 9.815 -22.590 2.567 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 9.416 -23.240 1.260 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 5.478 -16.802 10.393 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 5.383 -17.380 9.636 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 6.207 -17.173 10.889 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 10.787 -15.958 12.079 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 10.546 -15.296 12.727 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 10.589 -16.792 12.504 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 5.358 -17.062 16.062 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 5.046 -16.280 16.518 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 4.708 -17.215 15.376 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 9.063 -14.961 6.949 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 9.537 -14.666 7.727 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 8.500 -14.223 6.716 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 3.101 -21.160 5.301 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 2.809 -20.392 4.810 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 2.427 -21.820 5.138 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 16.225 -15.582 1.704 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 16.298 -14.643 1.874 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 17.130 -15.887 1.647 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 -0.806 -18.797 14.116 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 -1.307 -18.825 13.301 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 -0.800 -19.703 14.426 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 8.121 -15.777 15.558 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 8.208 -14.951 16.033 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 7.257 -16.107 15.807 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 8.535 -12.005 5.364 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 8.460 -12.126 4.418 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 8.568 -11.055 5.483 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 11.306 -12.925 5.116 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 10.371 -12.825 5.295 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 11.586 -13.634 5.694 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 5.269 -26.344 0.915 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 4.838 -26.789 1.645 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 4.551 -25.972 0.403 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 -0.214 -25.856 3.391 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 0.260 -25.265 2.806 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 -0.932 -25.325 3.738 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 9.954 -22.317 13.464 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 10.278 -22.948 12.821 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 9.514 -22.852 14.125 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 3.887 -23.566 2.298 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 3.345 -23.946 1.607 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 4.721 -23.372 1.869 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 8.742 -18.817 15.471 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 8.396 -19.198 16.277 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 8.542 -17.883 15.542 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 2.347 -19.706 10.003 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 3.092 -19.708 9.402 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 2.425 -20.530 10.485 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 6.372 -21.728 17.531 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 6.076 -21.894 16.636 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 7.303 -21.948 17.521 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 10.992 -16.355 15.421 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 10.091 -16.172 15.153 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 11.026 -16.096 16.342 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 16.687 -18.310 16.625 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 15.835 -18.072 16.258 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 17.277 -18.327 15.872 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 15.019 -15.324 4.253 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 14.646 -16.150 4.563 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 15.296 -15.507 3.356 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 12.179 -20.516 11.275 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 11.251 -20.748 11.248 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 12.630 -21.293 10.945 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 4.722 -16.188 7.408 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 5.249 -15.415 7.207 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 3.842 -15.963 7.106 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 0.477 -21.326 1.995 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 1.093 -20.699 2.374 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 -0.385 -21.010 2.266 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 6.664 -14.376 13.299 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 7.027 -13.521 13.066 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 7.196 -14.668 14.040 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 4.833 -13.503 6.529 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 3.883 -13.398 6.581 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 5.184 -12.683 6.874 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 10.208 -18.277 13.000 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 9.782 -18.504 13.826 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 10.789 -19.015 12.817 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 12.411 -17.348 2.074 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 12.764 -17.728 2.878 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 11.462 -17.441 2.160 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 0.640 -14.687 13.311 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 0.857 -15.619 13.280 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 0.887 -14.413 14.195 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 6.502 -16.236 0.521 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 6.741 -16.984 -0.027 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 6.233 -16.624 1.353 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 5.439 -16.666 2.977 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 5.586 -17.186 3.767 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 5.436 -15.759 3.283 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 1.892 -19.413 3.487 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 1.206 -19.061 4.054 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 2.415 -18.650 3.241 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 8.177 -14.968 3.726 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 7.360 -14.471 3.779 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 8.706 -14.493 3.086 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 8.244 -24.385 14.883 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 8.363 -23.811 15.640 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 8.899 -25.073 14.998 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 5.515 -13.925 3.708 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 5.676 -13.125 3.207 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 5.318 -13.618 4.593 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 2.508 -16.799 2.384 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 3.100 -16.100 2.660 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 2.967 -17.232 1.665 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 0.824 -24.135 1.500 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 0.779 -23.196 1.679 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 -0.064 -24.371 1.230 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 8.540 -14.373 0.659 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 7.896 -15.004 0.981 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 9.302 -14.904 0.427 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 11.025 -15.501 18.013 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 10.674 -16.357 18.256 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 11.751 -15.358 18.620 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 13.144 -14.556 0.893 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 13.427 -15.350 1.346 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 13.884 -14.323 0.332 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 4.099 -18.646 0.750 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 4.163 -19.440 1.281 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 4.752 -18.765 0.061 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 9.451 -17.599 0.486 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 9.183 -17.419 1.387 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 9.245 -18.525 0.355 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 12.148 -19.104 15.434 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 12.893 -18.516 15.314 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 11.391 -18.522 15.497 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 5.248 -20.674 3.056 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 4.789 -21.158 3.742 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 5.503 -21.342 2.420 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 4.537 -22.781 15.412 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 3.919 -22.106 15.693 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 4.881 -22.460 14.579 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 6.319 -22.431 1.319 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 6.139 -22.585 0.391 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 7.270 -22.323 1.363 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 9.557 -20.310 18.690 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 10.510 -20.226 18.662 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 9.397 -21.021 19.309 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 6.871 -21.617 14.227 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 7.622 -21.773 13.654 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 6.532 -20.765 13.951 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 11.287 -23.802 19.255 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 11.479 -24.733 19.144 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 12.144 -23.377 19.245 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 -0.215 -17.104 1.803 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 0.699 -17.025 2.076 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 -0.208 -17.791 1.136 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 14.867 -17.464 19.225 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 14.001 -17.569 19.619 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 15.243 -16.705 19.672 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 16.321 -18.369 11.511 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 17.155 -18.747 11.230 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 16.433 -17.426 11.392 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 14.808 -15.491 13.818 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 14.160 -15.166 14.443 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 14.290 -15.931 13.143 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 -0.616 -20.555 11.136 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 -0.432 -20.637 10.201 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 0.233 -20.679 11.560 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 16.702 -22.760 17.449 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 15.839 -23.139 17.284 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 17.306 -23.499 17.375 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 16.983 -29.752 19.154 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 17.333 -30.406 18.548 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 17.130 -28.915 18.714 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 16.503 -27.643 17.503 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 15.586 -27.372 17.467 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 16.626 -28.178 16.719 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 -1.180 -27.715 5.292 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 -2.105 -27.506 5.162 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 -0.726 -27.231 4.602 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 3.930 -14.827 14.039 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 3.505 -14.018 13.756 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 4.835 -14.742 13.737 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 8.241 -13.428 16.998 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 8.426 -13.762 17.876 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 9.088 -13.119 16.676 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 10.586 -12.143 16.242 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 11.263 -12.775 16.002 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 10.908 -11.741 17.050 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 1.332 -11.571 14.086 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 0.612 -11.131 13.635 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 0.966 -11.822 14.935 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 3.799 -11.971 13.116 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 2.934 -11.899 13.520 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 3.744 -11.424 12.332 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 2.888 -14.238 9.652 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 2.669 -15.154 9.821 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 3.712 -14.098 10.118 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 5.425 -13.768 10.500 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 5.638 -14.656 10.213 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 5.490 -13.802 11.455 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 1.958 -27.756 1.713 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 2.449 -28.386 1.185 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 2.581 -27.460 2.376 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 15.571 -12.951 5.245 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 15.377 -13.699 4.680 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 15.532 -12.193 4.661 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 1.816 -12.804 1.193 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 1.548 -12.517 2.066 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 2.587 -13.350 1.345 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 10.339 -20.314 26.281 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 10.428 -19.370 26.149 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 9.700 -20.589 25.623 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 9.272 -21.059 29.700 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 9.234 -21.705 30.405 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 8.949 -21.525 28.929 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 1.640 -21.444 31.293 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 1.682 -22.070 32.017 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 2.343 -20.821 31.475 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 2.564 -16.994 29.828 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 2.194 -17.796 29.459 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 3.505 -17.163 29.875 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 3.957 -26.131 27.706 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 4.000 -25.271 27.288 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 3.499 -26.683 27.073 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 11.679 -26.000 26.107 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 12.325 -26.329 26.732 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 12.189 -25.482 25.484 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 5.733 -22.184 27.684 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 6.349 -22.710 28.193 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 5.147 -22.824 27.280 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 10.136 -17.713 25.324 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 9.840 -18.035 24.473 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 9.812 -16.813 25.366 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 2.361 -25.321 29.733 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 2.974 -24.688 30.106 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 2.873 -25.793 29.076 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 6.793 -29.907 29.233 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 6.676 -30.856 29.179 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 5.938 -29.575 29.506 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 12.466 -20.860 24.685 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 11.734 -20.632 25.258 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 12.913 -21.574 25.140 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 4.111 -20.230 26.568 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 3.781 -20.600 25.749 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 4.699 -20.900 26.914 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 5.478 -16.802 29.249 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 5.383 -17.380 28.492 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 6.207 -17.173 29.745 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 4.478 -21.461 30.201 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 5.043 -21.340 29.438 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 4.797 -20.824 30.840 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 11.337 -21.698 22.370 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 11.916 -21.548 23.117 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 11.751 -21.227 21.647 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 9.063 -14.961 25.805 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 9.537 -14.666 26.583 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 8.500 -14.223 25.572 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 15.035 -29.948 22.183 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 14.136 -29.809 22.478 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 15.287 -29.117 21.781 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 -0.806 -18.797 32.972 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 -1.307 -18.825 32.157 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 -0.800 -19.703 33.282 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 -1.055 -16.017 29.856 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 -0.109 -16.161 29.837 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 -1.168 -15.233 30.393 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 8.535 -12.005 24.220 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 8.460 -12.126 23.274 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 8.568 -11.055 24.339 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 2.189 -13.216 26.001 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 2.341 -13.564 26.880 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 1.338 -13.572 25.746 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 11.637 -12.851 21.223 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 12.012 -13.595 20.752 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 11.641 -13.121 22.141 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 11.306 -12.925 23.972 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 10.371 -12.825 24.151 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 11.586 -13.634 24.550 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 4.062 -29.004 30.011 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 3.201 -29.091 29.603 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 4.040 -28.148 30.438 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 12.814 -20.665 20.000 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 12.856 -20.888 19.070 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 13.663 -20.267 20.190 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 4.153 -24.038 31.106 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 3.511 -24.079 31.815 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 4.190 -23.112 30.868 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 9.686 -23.401 24.835 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 9.277 -22.586 24.543 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 10.406 -23.541 24.220 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 10.690 -23.955 27.649 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 10.495 -23.350 26.934 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 10.872 -24.789 27.214 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 1.903 -23.718 32.973 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 1.865 -23.318 33.841 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 1.412 -24.535 33.063 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 6.732 -26.390 27.104 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 5.821 -26.333 27.393 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 7.237 -26.450 27.915 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 8.052 -23.602 28.991 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 8.616 -24.149 28.444 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 7.904 -24.124 29.780 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 7.222 -19.001 23.090 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 6.478 -19.508 22.767 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 7.088 -18.952 24.036 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 11.838 -24.320 22.950 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 12.730 -24.457 23.269 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 11.895 -23.529 22.413 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 2.347 -19.706 28.859 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 3.092 -19.708 28.258 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 2.425 -20.530 29.341 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 9.348 -17.542 22.115 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 9.053 -16.716 22.497 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 8.645 -18.162 22.311 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 -0.645 -21.245 34.174 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 -0.422 -21.663 35.006 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 -1.247 -21.858 33.752 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 4.722 -16.188 26.264 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 5.249 -15.415 26.063 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 3.842 -15.963 25.962 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 6.149 -18.525 25.840 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 5.908 -17.600 25.882 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 5.409 -18.984 26.236 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 4.833 -13.503 25.385 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 3.883 -13.398 25.437 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 5.184 -12.683 25.730 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 12.411 -17.348 20.930 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 12.764 -17.728 21.734 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 11.462 -17.441 21.016 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 10.508 -27.099 23.719 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 10.728 -26.627 22.916 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 11.066 -26.704 24.390 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 8.177 -14.968 22.582 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 7.360 -14.471 22.635 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 8.706 -14.493 21.942 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 8.592 -28.290 25.492 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 8.245 -27.672 26.137 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 9.250 -27.789 25.011 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 1.632 -29.353 29.029 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 1.403 -29.294 28.102 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 1.189 -30.145 29.336 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 13.144 -14.556 19.749 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 13.427 -15.350 20.202 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 13.884 -14.323 19.188 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 9.451 -17.599 19.342 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 9.183 -17.419 20.243 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 9.245 -18.525 19.211 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 15.709 -20.076 19.620 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 15.436 -20.501 18.807 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 15.749 -19.145 19.403 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 -1.566 -11.711 25.736 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 -2.213 -12.173 25.203 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 -1.211 -12.383 26.319 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 -0.696 -13.630 27.541 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 -1.030 -14.511 27.713 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 -0.474 -13.285 28.405 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 15.179 -24.013 20.361 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 15.276 -23.346 19.681 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 15.039 -24.829 19.879 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 14.427 -26.605 19.478 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 15.037 -26.977 20.115 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 13.590 -27.027 19.674 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 14.059 -25.050 24.444 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 14.339 -25.957 24.569 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 14.818 -24.616 24.055 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 14.673 -27.787 24.493 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 14.855 -28.236 25.318 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 14.073 -28.372 24.029 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 0.203 -26.972 29.024 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 0.648 -27.764 29.326 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 0.669 -26.256 29.455 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 16.539 -27.720 21.021 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 16.952 -28.441 20.545 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 17.221 -27.050 21.079 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 -1.216 -28.977 32.492 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 -1.881 -29.223 33.135 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 -1.659 -28.355 31.915 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 0.747 -12.948 29.853 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 0.728 -13.373 30.710 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 1.552 -13.266 29.444 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 2.888 -14.238 28.508 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 2.669 -15.154 28.677 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 3.712 -14.098 28.974 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 8.934 -28.104 28.501 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 8.259 -28.733 28.756 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 9.498 -28.588 27.898 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 14.076 -29.997 28.613 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 14.680 -29.449 28.112 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 13.207 -29.677 28.373 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 15.803 -28.858 26.947 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 16.415 -29.372 26.420 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 16.186 -27.980 26.970 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 5.840 -29.543 26.136 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 6.714 -29.155 26.106 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 5.704 -29.758 27.059 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 11.397 -29.513 27.785 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 11.473 -29.418 26.836 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 11.121 -30.421 27.914 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 2.564 1.862 -26.740 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 2.194 1.060 -27.109 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 3.505 1.693 -26.693 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 -0.826 -4.478 -31.347 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 -1.274 -3.632 -31.365 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 -1.387 -5.058 -31.862 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 -0.116 -2.316 -29.221 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 0.098 -3.086 -28.694 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 0.622 -2.227 -29.824 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 3.957 -7.275 -28.862 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 4.000 -6.415 -29.280 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 3.499 -7.827 -29.495 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 5.733 -3.328 -28.884 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 6.349 -3.854 -28.375 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 5.147 -3.968 -29.288 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 5.336 -0.681 -24.500 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 4.596 -0.083 -24.397 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 6.050 -0.127 -24.816 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 3.744 1.283 -23.713 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 3.738 2.162 -24.091 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 2.890 1.200 -23.288 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 6.793 -11.051 -27.335 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 6.676 -12.000 -27.389 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 5.938 -10.719 -27.062 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 4.111 -1.374 -30.000 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 3.781 -1.744 -30.819 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 4.699 -2.044 -29.654 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 4.478 -2.605 -26.367 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 5.043 -2.484 -27.130 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 4.797 -1.968 -25.728 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 2.278 -2.008 -22.421 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 2.348 -1.357 -21.723 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 1.387 -1.905 -22.756 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 3.101 -2.304 -32.411 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 2.809 -1.536 -32.902 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 2.427 -2.964 -32.574 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 -0.806 0.059 -23.596 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 -1.307 0.031 -24.411 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 -0.800 -0.847 -23.286 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 1.443 1.382 -22.553 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 1.660 1.021 -21.693 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 0.588 1.008 -22.763 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 4.062 -10.148 -26.557 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 3.201 -10.235 -26.965 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 4.040 -9.292 -26.130 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 8.725 -10.426 -23.183 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 9.145 -10.841 -22.430 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 7.792 -10.604 -23.066 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 4.150 -4.961 -30.550 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 3.257 -5.302 -30.609 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 4.601 -5.338 -31.306 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 8.788 -4.370 -20.245 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 8.225 -5.074 -19.925 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 9.614 -4.490 -19.778 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 -1.489 -7.746 -29.745 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 -0.858 -7.775 -29.025 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 -1.039 -8.171 -30.475 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 6.732 -7.534 -29.464 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 5.821 -7.477 -29.175 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 7.237 -7.594 -28.653 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 1.560 -5.905 -30.637 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 0.671 -5.805 -30.977 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 1.856 -6.747 -30.983 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 2.022 -0.153 -20.315 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 2.755 0.101 -19.754 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 1.242 0.051 -19.800 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 8.052 -4.746 -27.577 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 8.616 -5.293 -28.124 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 7.904 -5.268 -26.788 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 3.054 -8.610 -31.159 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 2.737 -9.512 -31.194 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 3.835 -8.608 -31.711 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 6.678 -6.358 -25.163 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 5.843 -5.904 -25.053 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 7.202 -6.082 -24.411 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 2.347 -0.850 -27.709 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 3.092 -0.852 -28.310 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 2.425 -1.674 -27.227 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 6.372 -2.872 -20.181 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 6.076 -3.038 -21.076 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 7.303 -3.092 -20.191 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 9.724 -7.895 -23.946 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 10.422 -7.821 -23.296 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 9.343 -8.759 -23.791 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 8.244 -5.529 -22.829 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 8.363 -4.955 -22.072 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 8.899 -6.217 -22.714 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 1.632 -10.497 -27.539 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 1.403 -10.438 -28.466 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 1.189 -11.289 -27.232 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 -0.242 -0.134 -19.094 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 -0.098 -1.036 -19.380 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 -1.015 0.152 -19.582 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 0.590 -2.934 -19.674 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 0.998 -3.791 -19.795 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 0.330 -2.919 -18.753 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 4.537 -3.925 -22.300 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 3.919 -3.250 -22.019 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 4.881 -3.604 -23.133 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 6.871 -2.761 -23.485 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 7.622 -2.917 -24.058 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 6.532 -1.909 -23.761 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 10.075 -7.295 -20.654 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 9.127 -7.263 -20.522 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 10.387 -7.920 -20.000 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 11.709 -8.661 -18.649 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 11.612 -9.613 -18.655 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 11.387 -8.392 -17.788 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 -0.616 -1.699 -26.576 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 -0.432 -1.781 -27.511 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 0.233 -1.823 -26.152 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 -1.180 -8.859 -32.420 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 -2.105 -8.650 -32.550 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 -0.726 -8.375 -33.110 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 1.260 -10.614 -30.245 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 0.483 -10.848 -30.753 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 1.791 -11.411 -30.237 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 11.613 -11.417 -19.010 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 11.689 -11.843 -18.156 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 12.506 -11.403 -19.352 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 -0.826 -4.478 -12.491 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 -1.274 -3.632 -12.509 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 -1.387 -5.058 -13.006 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 -0.116 -2.316 -10.365 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 0.098 -3.086 -9.838 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 0.622 -2.227 -10.968 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 11.679 -7.144 -11.605 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 12.325 -7.473 -10.980 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 12.189 -6.626 -12.228 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 0.577 -4.878 -9.244 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 1.231 -5.428 -8.812 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 0.601 -5.152 -10.160 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 5.733 -3.328 -10.028 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 6.349 -3.854 -9.519 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 5.147 -3.968 -10.432 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 2.767 -8.357 -5.932 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 2.548 -7.827 -6.698 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 2.099 -8.130 -5.284 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 2.361 -6.465 -7.979 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 2.974 -5.832 -7.606 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 2.873 -6.937 -8.636 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 9.114 -3.756 -16.940 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 9.815 -3.734 -16.289 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 9.416 -4.384 -17.596 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 3.101 -2.304 -13.555 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 2.809 -1.536 -14.046 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 2.427 -2.964 -13.718 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 4.062 -10.148 -7.701 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 3.201 -10.235 -8.109 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 4.040 -9.292 -7.274 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 8.725 -10.426 -4.327 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 9.145 -10.841 -3.574 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 7.792 -10.604 -4.210 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 8.387 -7.933 -17.042 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 8.133 -7.914 -16.119 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 8.130 -8.805 -17.343 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 4.153 -5.182 -6.606 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 3.511 -5.223 -5.897 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 4.190 -4.256 -6.844 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 4.150 -4.961 -11.694 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 3.257 -5.302 -11.753 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 4.601 -5.338 -12.450 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 9.686 -4.545 -12.877 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 9.277 -3.730 -13.169 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 10.406 -4.685 -13.492 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 10.690 -5.099 -10.063 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 10.495 -4.494 -10.778 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 10.872 -5.933 -10.498 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 6.732 -7.534 -10.608 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 5.821 -7.477 -10.319 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 7.237 -7.594 -9.797 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 5.213 -5.905 -14.125 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 6.145 -5.776 -13.947 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 4.998 -5.235 -14.774 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 11.137 -8.299 -7.344 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 10.460 -8.168 -6.680 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 10.651 -8.454 -8.154 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 3.887 -4.710 -16.558 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 3.345 -5.090 -17.249 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 4.721 -4.516 -16.987 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 8.052 -4.746 -8.721 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 8.616 -5.293 -9.268 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 7.904 -5.268 -7.932 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 6.678 -6.358 -6.307 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 5.843 -5.904 -6.197 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 7.202 -6.082 -5.555 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 11.120 -7.331 -16.423 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 10.182 -7.219 -16.574 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 11.417 -6.474 -16.117 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 0.477 -2.470 -16.861 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 1.093 -1.843 -16.482 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 -0.385 -2.154 -16.590 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 0.989 -7.636 -3.980 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 0.096 -7.297 -4.047 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 0.890 -8.491 -3.562 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 9.724 -7.895 -5.090 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 10.422 -7.821 -4.440 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 9.343 -8.759 -4.935 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 10.508 -8.243 -13.993 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 10.728 -7.771 -14.796 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 11.066 -7.848 -13.322 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 7.708 -6.515 -13.158 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 8.520 -6.011 -13.112 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 7.463 -6.660 -12.244 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 6.319 -3.575 -17.537 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 6.139 -3.729 -18.465 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 7.270 -3.467 -17.493 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 5.289 -8.200 -4.869 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 5.825 -7.749 -5.521 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 4.437 -8.308 -5.291 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 6.095 -10.744 -4.437 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 5.997 -9.797 -4.543 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 5.352 -11.116 -4.913 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 -1.493 -5.117 -7.619 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 -1.001 -5.338 -8.409 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 -1.131 -4.276 -7.338 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 14.076 -11.141 -9.099 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 14.680 -10.593 -9.600 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 13.207 -10.821 -9.339 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 11.397 -10.657 -9.927 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 11.473 -10.562 -10.876 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 11.121 -11.565 -9.798 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 12.750 -10.631 -14.234 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 12.047 -10.017 -14.444 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 12.305 -11.469 -14.103 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 6.984 -8.607 -14.686 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 7.162 -9.253 -14.003 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 6.930 -7.773 -14.219 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 1.218 -10.100 -1.872 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 0.852 -10.865 -1.429 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 2.131 -10.071 -1.585 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 3.191 -10.749 -0.336 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 4.090 -11.023 -0.521 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 2.805 -11.492 0.128 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 2.767 -8.357 12.924 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 2.548 -7.827 12.158 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 2.099 -8.130 13.572 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 2.278 -2.008 15.291 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 2.348 -1.357 15.989 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 1.387 -1.905 14.956 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 4.062 -10.148 11.155 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 3.201 -10.235 10.747 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 4.040 -9.292 11.582 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 8.725 -10.426 14.529 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 9.145 -10.841 15.282 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 7.792 -10.604 14.646 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 8.788 -4.370 17.467 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 8.225 -5.074 17.787 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 9.614 -4.490 17.934 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 1.903 -4.862 14.117 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 1.865 -4.462 14.985 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 1.412 -5.679 14.207 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 -0.645 -2.389 15.318 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 -0.422 -2.807 16.150 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 -1.247 -3.002 14.896 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 6.372 -2.872 17.531 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 6.076 -3.038 16.636 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 7.303 -3.092 17.521 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 0.989 -7.636 14.876 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 0.096 -7.297 14.809 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 0.890 -8.491 15.294 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 0.590 -2.934 18.038 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 0.998 -3.791 17.917 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 0.330 -2.919 18.959 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 4.537 -3.925 15.412 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 3.919 -3.250 15.693 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 4.881 -3.604 14.579 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 4.877 -6.570 16.495 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 5.027 -7.299 15.892 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 4.879 -5.793 15.936 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 5.289 -8.200 13.987 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 5.825 -7.749 13.335 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 4.437 -8.308 13.565 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 6.095 -10.744 14.419 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 5.997 -9.797 14.313 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 5.352 -11.116 13.943 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 7.359 -6.422 17.982 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 7.123 -6.642 18.884 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 6.576 -6.629 17.473 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 10.075 -7.295 17.058 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 9.127 -7.263 17.190 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 10.387 -7.920 17.712 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 11.709 -8.661 19.063 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 11.612 -9.613 19.057 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 11.387 -8.392 19.924 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 -1.216 -10.121 13.636 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 -1.881 -10.367 14.279 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 -1.659 -9.499 13.059 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 11.613 -11.417 18.702 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 11.689 -11.843 19.556 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 12.506 -11.403 18.360 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 -0.826 -4.478 25.221 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 -1.274 -3.632 25.203 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 -1.387 -5.058 24.706 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 -0.116 -2.316 27.347 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 0.098 -3.086 27.874 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 0.622 -2.227 26.744 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 3.957 -7.275 27.706 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 4.000 -6.415 27.288 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 3.499 -7.827 27.073 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 0.577 -4.878 28.468 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 1.231 -5.428 28.900 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 0.601 -5.152 27.552 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 2.361 -6.465 29.733 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 2.974 -5.832 30.106 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 2.873 -6.937 29.076 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 3.101 -2.304 24.157 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 2.809 -1.536 23.666 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 2.427 -2.964 23.994 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 8.387 -7.933 20.670 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 8.133 -7.914 21.593 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 8.130 -8.805 20.369 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 4.150 -4.961 26.018 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 3.257 -5.302 25.959 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 4.601 -5.338 25.262 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 -1.489 -7.746 26.823 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 -0.858 -7.775 27.543 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 -1.039 -8.171 26.093 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 6.732 -7.534 27.104 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 5.821 -7.477 27.393 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 7.237 -7.594 27.915 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 1.560 -5.905 25.931 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 0.671 -5.805 25.591 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 1.856 -6.747 25.585 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 5.213 -5.905 23.587 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 6.145 -5.776 23.765 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 4.998 -5.235 22.938 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 3.887 -4.710 21.154 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 3.345 -5.090 20.463 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 4.721 -4.516 20.725 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 3.054 -8.610 25.409 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 2.737 -9.512 25.374 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 3.835 -8.608 24.857 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 11.120 -7.331 21.289 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 10.182 -7.219 21.138 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 11.417 -6.474 21.595 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 0.477 -2.470 20.851 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 1.093 -1.843 21.230 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 -0.385 -2.154 21.122 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 1.892 -0.557 22.343 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 1.206 -0.205 22.910 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 2.415 0.206 22.097 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 10.508 -8.243 23.719 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 10.728 -7.771 22.916 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 11.066 -7.848 24.390 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 7.708 -6.515 24.554 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 8.520 -6.011 24.600 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 7.463 -6.660 25.468 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 8.592 -9.434 25.492 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 8.245 -8.816 26.137 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 9.250 -8.933 25.011 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 1.632 -10.497 29.029 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 1.403 -10.438 28.102 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 1.189 -11.289 29.336 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 5.248 -1.818 21.912 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 4.789 -2.302 22.598 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 5.503 -2.486 21.276 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 6.319 -3.575 20.175 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 6.139 -3.729 19.247 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 7.270 -3.467 20.219 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 0.203 -8.116 29.024 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 0.648 -8.908 29.326 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 0.669 -7.400 29.455 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 1.260 -10.614 26.323 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 0.483 -10.848 25.815 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 1.791 -11.411 26.331 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 5.840 -10.687 26.136 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 6.714 -10.299 26.106 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 5.704 -10.902 27.059 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 12.750 -10.631 23.478 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 12.047 -10.017 23.268 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 12.305 -11.469 23.609 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 20.496 -59.156 -6.419 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 20.538 -59.782 -5.695 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 21.199 -58.533 -6.237 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 21.420 -54.706 -7.884 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 21.050 -55.508 -8.253 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 22.361 -54.875 -7.837 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 22.600 -55.285 -4.857 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 22.594 -54.406 -5.235 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 21.746 -55.368 -4.432 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 24.334 -54.514 -8.463 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 24.239 -55.092 -9.220 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 25.063 -54.885 -7.967 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 24.214 -54.774 -2.794 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 23.902 -53.992 -2.338 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 23.564 -54.927 -3.480 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 21.134 -58.576 -3.565 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 21.204 -57.925 -2.867 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 20.243 -58.473 -3.900 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 17.801 -53.729 -7.856 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 18.747 -53.873 -7.875 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 17.688 -52.945 -7.319 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 26.977 -53.489 -3.298 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 27.064 -52.663 -2.823 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 26.113 -53.819 -3.049 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 21.045 -50.928 -11.711 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 21.197 -51.276 -10.832 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 20.194 -51.284 -11.966 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 20.759 -61.430 -4.739 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 20.721 -61.030 -3.871 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 20.268 -62.247 -4.649 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 18.211 -58.957 -3.538 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 18.434 -59.375 -2.706 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 17.609 -59.570 -3.960 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 25.520 -52.088 -5.557 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 25.883 -51.233 -5.790 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 26.052 -52.380 -4.816 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 19.418 -53.125 -12.522 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 18.586 -52.652 -12.495 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 19.964 -52.615 -13.121 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 25.269 -56.732 -0.805 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 24.941 -56.461 -1.663 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 25.421 -57.673 -0.893 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 19.446 -59.502 -0.818 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 19.854 -60.359 -0.939 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 19.186 -59.487 0.103 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 22.211 -61.940 -0.450 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 21.444 -62.472 -0.660 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 22.890 -62.250 -1.049 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 18.160 -51.342 -10.171 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 17.826 -52.223 -9.999 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 18.382 -50.997 -9.307 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 18.240 -58.267 -7.720 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 18.424 -58.349 -8.655 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 19.089 -58.391 -7.296 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 17.838 -62.996 -1.579 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 18.757 -63.118 -1.343 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 17.388 -63.746 -1.190 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 27.097 -51.140 -1.858 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 27.282 -51.474 -0.980 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 27.944 -50.831 -2.180 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 19.603 -50.660 -7.859 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 19.584 -51.085 -7.002 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 20.408 -50.978 -8.268 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 21.744 -51.950 -9.204 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 21.525 -52.866 -9.035 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 22.568 -51.810 -8.738 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 24.281 -51.480 -8.356 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 24.494 -52.368 -8.643 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 24.346 -51.514 -7.401 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 18.854 -51.436 -14.688 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 18.169 -51.474 -15.356 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 18.857 -50.523 -14.400 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 18.740 -58.884 8.491 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 18.954 -59.654 9.018 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 19.478 -58.795 7.888 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 22.967 -57.942 7.712 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 22.637 -58.312 6.893 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 23.555 -58.612 8.058 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 21.957 -58.872 5.301 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 21.665 -58.104 4.810 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 21.283 -59.532 5.138 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 17.801 -53.729 11.000 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 18.747 -53.873 10.981 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 17.688 -52.945 11.537 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 21.045 -50.928 7.145 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 21.197 -51.276 8.024 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 20.194 -51.284 6.890 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 26.078 -56.713 4.234 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 25.334 -57.220 3.911 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 25.944 -56.664 5.180 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 23.578 -53.900 7.408 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 24.105 -53.127 7.207 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 22.698 -53.675 7.106 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 19.333 -59.038 1.995 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 19.949 -58.411 2.374 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 18.471 -58.722 2.266 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 25.005 -56.237 6.984 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 24.764 -55.312 7.026 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 24.265 -56.696 7.380 0.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 23.689 -51.215 6.529 0.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 22.739 -51.110 6.581 0.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 24.040 -50.395 6.874 0.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 25.358 -53.948 0.521 0.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 25.597 -54.696 -0.027 0.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 25.089 -54.336 1.353 0.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 24.295 -54.378 2.977 0.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 24.442 -54.898 3.767 0.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 24.292 -53.471 3.283 0.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 20.748 -57.125 3.487 0.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 20.062 -56.773 4.054 0.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 21.271 -56.362 3.241 0.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 27.033 -52.680 3.726 0.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 26.216 -52.183 3.779 0.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 27.562 -52.205 3.086 0.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 24.371 -51.637 3.708 0.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 24.532 -50.837 3.207 0.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 24.174 -51.330 4.593 0.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 19.680 -61.847 1.500 0.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 19.635 -60.908 1.679 0.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 18.792 -62.083 1.230 0.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 27.396 -52.085 0.659 0.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 26.752 -52.716 0.981 0.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 28.158 -52.616 0.427 0.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 22.955 -56.358 0.750 0.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 23.019 -57.152 1.281 0.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 23.608 -56.477 0.061 0.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 24.104 -58.386 3.056 0.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 23.645 -58.870 3.742 0.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 24.359 -59.054 2.420 0.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 25.073 -49.452 2.320 0.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 26.006 -49.294 2.464 0.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 24.809 -48.777 1.695 0.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 17.290 -49.423 6.880 0.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 16.643 -49.885 6.347 0.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 17.645 -50.095 7.463 0.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 18.160 -51.342 8.685 0.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 17.826 -52.223 8.857 0.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 18.382 -50.997 9.549 0.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 20.188 -49.283 14.086 0.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 19.468 -48.843 13.635 0.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 19.822 -49.534 14.935 0.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 19.603 -50.660 10.997 0.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 19.584 -51.085 11.854 0.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 20.408 -50.978 10.588 0.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 21.744 -51.950 9.652 0.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 21.525 -52.866 9.821 0.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 22.568 -51.810 10.118 0.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 20.496 -40.300 -6.419 0.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 20.538 -40.926 -5.695 0.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 21.199 -39.677 -6.237 0.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 18.030 -42.190 -12.491 0.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 17.582 -41.344 -12.509 0.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 17.469 -42.770 -13.006 0.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 18.740 -40.028 -10.365 0.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 18.954 -40.798 -9.838 0.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 19.478 -39.939 -10.968 0.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 22.813 -44.987 -10.006 0.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 22.856 -44.127 -10.424 0.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 22.355 -45.539 -10.639 0.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 19.433 -42.590 -9.244 0.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 20.087 -43.140 -8.812 0.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 19.457 -42.864 -10.160 0.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 21.217 -44.177 -7.979 0.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 21.830 -43.544 -7.606 0.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 21.729 -44.649 -8.636 0.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 22.600 -36.429 -4.857 0.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 22.594 -35.550 -5.235 0.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 21.746 -36.512 -4.432 0.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 18.721 -36.758 -14.075 0.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 18.449 -36.529 -14.964 0.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 18.766 -35.920 -13.615 0.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 25.649 -48.763 -8.479 0.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 25.532 -49.712 -8.533 0.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 24.794 -48.431 -8.206 0.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 23.334 -40.317 -7.511 0.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 23.899 -40.196 -8.274 0.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 23.653 -39.680 -6.872 0.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 24.214 -35.918 -2.794 0.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 23.902 -35.136 -2.338 0.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 23.564 -36.071 -3.480 0.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 21.134 -39.720 -3.565 0.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 21.204 -39.069 -2.867 0.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 20.243 -39.617 -3.900 0.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 18.050 -37.653 -4.740 0.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 17.549 -37.681 -5.555 0.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 18.056 -38.559 -4.430 0.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 17.801 -34.873 -7.856 0.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 18.747 -35.017 -7.875 0.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 17.688 -34.089 -7.319 0.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 26.977 -34.633 -3.298 0.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 27.064 -33.807 -2.823 0.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 26.113 -34.963 -3.049 0.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 20.299 -36.330 -3.697 0.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 20.516 -36.691 -2.837 0.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 19.444 -36.704 -3.907 0.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 22.918 -47.860 -7.701 0.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 22.057 -47.947 -8.109 0.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 22.896 -47.004 -7.274 0.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 27.581 -48.138 -4.327 0.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 28.001 -48.553 -3.574 0.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 26.648 -48.316 -4.210 0.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 23.009 -42.894 -6.606 0.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 22.367 -42.935 -5.897 0.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 23.046 -41.968 -6.844 0.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 18.642 -44.712 -15.465 0.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 19.116 -44.121 -16.050 0.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 17.924 -44.181 -15.118 0.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 20.416 -43.617 -11.781 0.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 19.527 -43.517 -12.121 0.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 20.712 -44.459 -12.127 0.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 20.878 -37.865 -1.459 0.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 21.611 -37.611 -0.898 0.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 20.098 -37.661 -0.944 0.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 21.910 -46.322 -12.303 0.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 21.593 -47.224 -12.338 0.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 22.691 -46.320 -12.855 0.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 25.534 -44.070 -6.307 0.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 24.699 -43.616 -6.197 0.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 26.058 -43.794 -5.555 0.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 21.203 -38.562 -8.853 0.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 21.948 -38.564 -9.454 0.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 21.281 -39.386 -8.371 0.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 25.228 -40.584 -1.325 0.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 24.932 -40.750 -2.220 0.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 26.159 -40.804 -1.335 0.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 25.520 -33.232 -5.557 0.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 25.883 -32.377 -5.790 0.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 26.052 -33.524 -4.816 0.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 19.496 -33.543 -5.545 0.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 19.713 -34.475 -5.576 0.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 19.743 -33.269 -4.661 0.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 27.100 -43.241 -3.973 0.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 27.219 -42.667 -3.216 0.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 27.755 -43.929 -3.858 0.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 20.488 -48.209 -8.683 0.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 20.259 -48.150 -9.610 0.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 20.045 -49.001 -8.376 0.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 25.269 -37.876 -0.805 0.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 24.941 -37.605 -1.663 0.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 25.421 -38.817 -0.893 0.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 23.393 -41.637 -3.444 0.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 22.775 -40.962 -3.163 0.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 23.737 -41.316 -4.277 0.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 23.733 -44.282 -2.361 0.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 23.883 -45.011 -2.964 0.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 23.735 -43.505 -2.920 0.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 24.145 -45.912 -4.869 0.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 24.681 -45.461 -5.521 0.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 23.293 -46.020 -5.291 0.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 24.951 -48.456 -4.437 0.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 24.853 -47.509 -4.543 0.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 24.208 -48.828 -4.913 0.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 26.215 -44.134 -0.874 0.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 25.979 -44.354 0.028 0.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 25.432 -44.341 -1.383 0.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 25.173 -49.162 -1.766 0.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 25.885 -49.802 -1.780 0.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 25.072 -48.895 -2.680 0.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 25.526 -47.479 0.288 0.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 25.395 -47.955 -0.533 0.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 24.927 -46.735 0.232 0.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 17.290 -30.567 -11.976 0.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 16.643 -31.029 -12.509 0.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 17.645 -31.239 -11.393 0.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 18.160 -32.486 -10.171 0.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 17.826 -33.367 -9.999 0.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 18.382 -32.141 -9.307 0.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 18.240 -39.411 -7.720 0.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 18.424 -39.493 -8.655 0.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 19.089 -39.535 -7.296 0.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 22.786 -33.683 -4.817 0.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 22.361 -32.874 -5.100 0.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 23.691 -33.598 -5.119 0.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 27.097 -32.284 -1.858 0.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 27.282 -32.618 -0.980 0.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 27.944 -31.975 -2.180 0.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 20.188 -30.427 -4.770 0.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 19.468 -29.987 -5.221 0.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 19.822 -30.678 -3.921 0.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 22.655 -30.827 -5.740 0.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 21.790 -30.755 -5.336 0.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 22.600 -30.280 -6.524 0.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 19.603 -31.804 -7.859 0.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 19.584 -32.229 -7.002 0.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 20.408 -32.122 -8.268 0.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 20.116 -48.326 -11.389 0.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 19.339 -48.560 -11.897 0.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 20.647 -49.123 -11.381 0.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 18.953 -48.528 -15.586 0.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 19.392 -47.917 -16.177 0.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 18.319 -47.990 -15.112 0.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 20.496 -40.300 12.437 0.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 20.538 -40.926 13.161 0.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 21.199 -39.677 12.619 0.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 21.420 -35.850 10.972 0.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 21.050 -36.652 10.603 0.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 22.361 -36.019 11.019 0.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 22.813 -44.987 8.850 0.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 22.856 -44.127 8.432 0.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 22.355 -45.539 8.217 0.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 24.589 -41.040 8.828 0.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 25.205 -41.566 9.337 0.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 24.003 -41.680 8.424 0.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 21.623 -46.069 12.924 0.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 21.404 -45.539 12.158 0.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 20.955 -45.842 13.572 0.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 24.192 -38.393 13.212 0.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 23.452 -37.795 13.315 0.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 24.906 -37.839 12.896 0.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 21.217 -44.177 10.877 0.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 21.830 -43.544 11.250 0.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 21.729 -44.649 10.220 0.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 22.600 -36.429 13.999 0.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 22.594 -35.550 13.621 0.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 21.746 -36.512 14.424 0.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 22.967 -39.086 7.712 0.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 22.637 -39.456 6.893 0.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 23.555 -39.756 8.058 0.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 24.334 -35.658 10.393 0.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 24.239 -36.236 9.636 0.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 25.063 -36.029 10.889 0.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 23.334 -40.317 11.345 0.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 23.899 -40.196 10.582 0.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 23.653 -39.680 11.984 0.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 24.214 -35.918 16.062 0.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 23.902 -35.136 16.518 0.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 23.564 -36.071 15.376 0.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 27.919 -33.817 6.949 0.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 28.393 -33.522 7.727 0.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 27.356 -33.079 6.716 0.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 21.957 -40.016 5.301 0.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 21.665 -39.248 4.810 0.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 21.283 -40.676 5.138 0.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 26.977 -34.633 15.558 0.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 27.064 -33.807 16.033 0.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 26.113 -34.963 15.807 0.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 27.391 -30.861 5.364 0.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 27.316 -30.982 4.418 0.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 27.424 -29.911 5.483 0.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 27.243 -45.645 1.814 0.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 26.989 -45.626 2.737 0.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 26.986 -46.517 1.513 0.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 23.009 -42.894 12.250 0.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 22.367 -42.935 12.959 0.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 23.046 -41.968 12.012 0.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 23.006 -42.673 7.162 0.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 22.113 -43.014 7.103 0.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 23.457 -43.050 6.406 0.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 24.069 -43.617 4.731 0.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 25.001 -43.488 4.909 0.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 23.854 -42.947 4.082 0.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 20.878 -37.865 17.397 0.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 21.611 -37.611 17.958 0.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 20.098 -37.661 17.912 0.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 21.910 -46.322 6.553 0.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 21.593 -47.224 6.518 0.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 22.691 -46.320 6.001 0.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 26.078 -37.857 4.234 0.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 25.334 -38.364 3.911 0.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 25.944 -37.808 5.180 0.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 21.203 -38.562 10.003 0.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 21.948 -38.564 9.402 0.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 21.281 -39.386 10.485 0.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 28.204 -36.398 3.259 0.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 27.909 -35.572 3.641 0.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 27.501 -37.018 3.455 0.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 25.228 -40.584 17.531 0.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 24.932 -40.750 16.636 0.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 26.159 -40.804 17.521 0.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 23.578 -35.044 7.408 0.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 24.105 -34.271 7.207 0.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 22.698 -34.819 7.106 0.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 25.005 -37.381 6.984 0.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 24.764 -36.456 7.026 0.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 24.265 -37.840 7.380 0.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 25.520 -33.232 13.299 0.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 25.883 -32.377 13.066 0.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 26.052 -33.524 14.040 0.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 23.689 -32.359 6.529 0.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 22.739 -32.254 6.581 0.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 24.040 -31.539 6.874 0.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 19.845 -45.348 14.876 0.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 18.952 -45.009 14.809 0.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 19.746 -46.203 15.294 0.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 25.358 -35.092 0.521 0.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 25.597 -35.840 -0.027 0.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 25.089 -35.480 1.353 0.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 27.033 -33.824 3.726 0.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 26.216 -33.327 3.779 0.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 27.562 -33.349 3.086 0.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 26.564 -44.227 5.698 0.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 27.376 -43.723 5.744 0.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 26.319 -44.372 6.612 0.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 20.488 -48.209 10.173 0.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 20.259 -48.150 9.246 0.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 20.045 -49.001 10.480 0.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 23.304 -32.737 19.284 0.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 24.072 -33.196 19.625 0.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 23.283 -32.963 18.354 0.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 27.396 -33.229 0.659 0.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 26.752 -33.860 0.981 0.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 28.158 -33.760 0.427 0.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 22.955 -37.502 0.750 0.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 23.019 -38.296 1.281 0.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 23.608 -37.621 0.061 0.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 28.307 -36.455 0.486 0.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 28.039 -36.275 1.387 0.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 28.101 -37.381 0.355 0.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 24.104 -39.530 3.056 0.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 23.645 -40.014 3.742 0.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 24.359 -40.198 2.420 0.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 23.393 -41.637 15.412 0.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 22.775 -40.962 15.693 0.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 23.737 -41.316 14.579 0.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 25.175 -41.287 1.319 0.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 24.995 -41.441 0.391 0.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 26.126 -41.179 1.363 0.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 23.733 -44.282 16.495 0.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 23.883 -45.011 15.892 0.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 23.735 -43.505 15.936 0.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 24.145 -45.912 13.987 0.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 24.681 -45.461 13.335 0.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 23.293 -46.020 13.565 0.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 22.211 -43.084 18.406 0.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 21.444 -43.616 18.196 0.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 22.890 -43.394 17.807 0.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 20.392 -45.163 18.111 0.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 20.603 -45.870 17.500 0.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 20.280 -45.601 18.955 0.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 17.640 -47.833 13.636 0.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 16.975 -48.079 14.279 0.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 17.197 -47.211 13.059 0.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 27.097 -32.284 16.998 0.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 27.282 -32.618 17.876 0.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 27.944 -31.975 16.676 0.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 22.655 -30.827 13.116 0.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 21.790 -30.755 13.520 0.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 22.600 -30.280 12.332 0.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 27.366 -30.939 12.292 0.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 26.909 -30.410 11.638 0.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 27.529 -30.336 13.017 0.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 24.281 -32.624 10.500 0.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 24.494 -33.512 10.213 0.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 24.346 -32.658 11.455 0.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 20.116 -48.326 7.467 0.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 19.339 -48.560 6.959 0.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 20.647 -49.123 7.475 0.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 24.696 -48.399 7.280 0.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 25.570 -48.011 7.250 0.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 24.560 -48.614 8.203 0.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 25.840 -46.319 4.170 0.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 26.018 -46.965 4.853 0.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 25.786 -45.485 4.637 0.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 27.718 -31.370 2.565 0.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 28.584 -31.004 2.387 0.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 27.471 -31.810 1.752 0.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 20.074 -47.812 16.984 0.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 19.708 -48.577 17.427 0.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 20.987 -47.783 17.271 0.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 22.047 -48.461 18.520 0.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 22.946 -48.735 18.335 0.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 21.661 -49.204 18.984 0.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 18.030 -42.190 25.221 0.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 17.582 -41.344 25.203 0.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 17.469 -42.770 24.706 0.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 18.721 -36.758 23.637 0.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 18.449 -36.529 22.748 0.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 18.766 -35.920 24.097 0.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 17.801 -34.873 29.856 0.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 18.747 -35.017 29.837 0.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 17.688 -34.089 30.393 0.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 21.045 -32.072 26.001 0.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 21.197 -32.420 26.880 0.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 20.194 -32.428 25.746 0.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 24.125 -45.200 19.771 0.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 23.694 -45.645 20.501 0.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 23.407 -44.828 19.259 0.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 18.642 -44.712 22.247 0.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 19.116 -44.121 21.662 0.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 17.924 -44.181 22.594 0.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 22.743 -42.422 21.154 0.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 22.201 -42.802 20.463 0.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 23.577 -42.228 20.725 0.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 19.333 -40.182 20.851 0.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 19.949 -39.555 21.230 0.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 18.471 -39.866 21.122 0.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 25.358 -35.092 19.377 0.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 25.597 -35.840 18.829 0.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 25.089 -35.480 20.209 0.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 20.748 -38.269 22.343 0.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 20.062 -37.917 22.910 0.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 21.271 -37.506 22.097 0.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 21.364 -35.655 21.240 0.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 21.956 -34.956 21.516 0.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 21.823 -36.088 20.521 0.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 19.680 -42.991 20.356 0.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 19.635 -42.052 20.535 0.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 18.792 -43.227 20.086 0.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 19.418 -34.269 25.190 0.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 18.586 -33.796 25.217 0.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 19.964 -33.759 24.591 0.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 22.955 -37.502 19.606 0.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 23.019 -38.296 20.137 0.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 23.608 -37.621 18.917 0.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 25.073 -30.596 21.176 0.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 26.006 -30.438 21.320 0.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 24.809 -29.921 20.551 0.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 18.641 -35.960 20.659 0.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 19.555 -35.881 20.932 0.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 18.648 -36.647 19.992 0.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 17.290 -30.567 25.736 0.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 16.643 -31.029 25.203 0.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 17.645 -31.239 26.319 0.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 18.160 -32.486 27.541 0.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 17.826 -33.367 27.713 0.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 18.382 -32.141 28.405 0.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 17.676 -46.571 24.148 0.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 16.751 -46.362 24.018 0.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 18.130 -46.087 23.458 0.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 18.854 -32.580 23.024 0.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 18.169 -32.618 22.356 0.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 18.857 -31.667 23.312 0.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 20.814 -46.612 20.569 0.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 21.305 -47.242 20.041 0.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 21.437 -46.316 21.232 0.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 20.672 -31.660 20.049 0.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 20.404 -31.373 20.922 0.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 21.443 -32.206 20.201 0.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 18.030 -23.334 -12.491 0.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 17.582 -22.488 -12.509 0.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 17.469 -23.914 -13.006 0.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 18.740 -21.172 -10.365 0.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 18.954 -21.942 -9.838 0.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 19.478 -21.083 -10.968 0.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 19.433 -23.734 -9.244 0.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 20.087 -24.284 -8.812 0.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 19.457 -24.008 -10.160 0.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 17.367 -26.602 -10.889 0.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 17.998 -26.631 -10.169 0.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 17.817 -27.027 -11.619 0.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 18.642 -25.856 -15.465 0.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 19.116 -25.265 -16.050 0.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 17.924 -25.325 -15.118 0.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 20.416 -24.761 -11.781 0.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 19.527 -24.661 -12.121 0.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 20.712 -25.603 -12.127 0.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 18.211 -21.245 -3.538 0.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 18.434 -21.663 -2.706 0.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 17.609 -21.858 -3.960 0.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 19.845 -26.492 -3.980 0.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 18.952 -26.153 -4.047 0.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 19.746 -27.347 -3.562 0.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 18.614 -18.990 -0.238 0.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 18.758 -19.892 -0.524 0.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 17.841 -18.704 -0.726 0.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 19.446 -21.790 -0.818 0.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 19.854 -22.647 -0.939 0.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 19.186 -21.775 0.103 0.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 23.733 -25.426 -2.361 0.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 23.883 -26.155 -2.964 0.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 23.735 -24.649 -2.920 0.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 22.211 -24.228 -0.450 0.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 21.444 -24.760 -0.660 0.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 22.890 -24.538 -1.049 0.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 24.951 -29.600 -4.437 0.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 24.853 -28.653 -4.543 0.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 24.208 -29.972 -4.913 0.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 20.392 -26.307 -0.745 0.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 20.603 -27.014 -1.356 0.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 20.280 -26.745 0.099 0.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 25.173 -30.306 -1.766 0.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 25.885 -30.946 -1.780 0.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 25.072 -30.039 -2.680 0.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 25.526 -28.623 0.288 0.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 25.395 -29.099 -0.533 0.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 24.927 -27.879 0.232 0.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 17.838 -25.284 -1.579 0.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 18.757 -25.406 -1.343 0.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 17.388 -26.034 -1.190 0.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 19.059 -26.972 -8.688 0.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 19.504 -27.764 -8.386 0.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 19.525 -26.256 -8.257 0.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 17.363 -23.973 -7.619 0.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 17.855 -24.194 -8.409 0.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 17.725 -23.132 -7.338 0.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 17.676 -27.715 -13.564 0.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 16.751 -27.506 -13.694 0.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 18.130 -27.231 -14.254 0.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 17.640 -28.977 -5.220 0.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 16.975 -29.223 -4.577 0.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 17.197 -28.355 -5.797 0.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 20.074 -28.956 -1.872 0.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 19.708 -29.721 -1.429 0.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 20.987 -28.927 -1.585 0.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 20.496 -21.444 12.437 0.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 20.538 -22.070 13.161 0.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 21.199 -20.821 12.619 0.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 24.589 -22.184 8.828 0.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 25.205 -22.710 9.337 0.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 24.003 -22.824 8.424 0.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 21.623 -27.213 12.924 0.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 21.404 -26.683 12.158 0.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 20.955 -26.986 13.572 0.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 18.721 -17.902 4.781 0.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 18.449 -17.673 3.892 0.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 18.766 -17.064 5.241 0.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 25.649 -29.907 10.377 0.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 25.532 -30.856 10.323 0.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 24.794 -29.575 10.650 0.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 22.967 -20.230 7.712 0.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 22.637 -20.600 6.893 0.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 23.555 -20.900 8.058 0.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 23.334 -21.461 11.345 0.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 23.899 -21.340 10.582 0.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 23.653 -20.824 11.984 0.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 21.134 -20.864 15.291 0.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 21.204 -20.213 15.989 0.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 20.243 -20.761 14.956 0.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 21.957 -21.160 5.301 0.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 21.665 -20.392 4.810 0.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 21.283 -21.820 5.138 0.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 18.050 -18.797 14.116 0.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 17.549 -18.825 13.301 0.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 18.056 -19.703 14.426 0.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 27.243 -26.789 1.814 0.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 26.989 -26.770 2.737 0.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 26.986 -27.661 1.513 0.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 23.009 -24.038 12.250 0.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 22.367 -24.079 12.959 0.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 23.046 -23.112 12.012 0.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 23.006 -23.817 7.162 0.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 22.113 -24.158 7.103 0.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 23.457 -24.194 6.406 0.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 20.759 -23.718 14.117 0.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 20.721 -23.318 14.985 0.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 20.268 -24.535 14.207 0.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 24.125 -26.344 0.915 0.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 23.694 -26.789 1.645 0.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 23.407 -25.972 0.403 0.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 25.588 -26.390 8.248 0.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 24.677 -26.333 8.537 0.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 26.093 -26.450 9.059 0.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 24.069 -24.761 4.731 0.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 25.001 -24.632 4.909 0.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 23.854 -24.091 4.082 0.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 22.743 -23.566 2.298 0.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 22.201 -23.946 1.607 0.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 23.577 -23.372 1.869 0.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 26.908 -23.602 10.135 0.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 27.472 -24.149 9.588 0.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 26.760 -24.124 10.924 0.00 0.00 WAT1 ATOM 6668 OH2 TIP3 1421 25.534 -25.214 12.549 0.00 0.00 WAT1 ATOM 6669 H1 TIP3 1421 24.699 -24.760 12.659 0.00 0.00 WAT1 ATOM 6670 H2 TIP3 1421 26.058 -24.938 13.301 0.00 0.00 WAT1 ATOM 6671 OH2 TIP3 1422 21.203 -19.706 10.003 0.00 0.00 WAT1 ATOM 6672 H1 TIP3 1422 21.948 -19.708 9.402 0.00 0.00 WAT1 ATOM 6673 H2 TIP3 1422 21.281 -20.530 10.485 0.00 0.00 WAT1 ATOM 6674 OH2 TIP3 1423 18.211 -21.245 15.318 0.00 0.00 WAT1 ATOM 6675 H1 TIP3 1423 18.434 -21.663 16.150 0.00 0.00 WAT1 ATOM 6676 H2 TIP3 1423 17.609 -21.858 14.896 0.00 0.00 WAT1 ATOM 6677 OH2 TIP3 1424 19.333 -21.326 1.995 0.00 0.00 WAT1 ATOM 6678 H1 TIP3 1424 19.949 -20.699 2.374 0.00 0.00 WAT1 ATOM 6679 H2 TIP3 1424 18.471 -21.010 2.266 0.00 0.00 WAT1 ATOM 6680 OH2 TIP3 1425 19.845 -26.492 14.876 0.00 0.00 WAT1 ATOM 6681 H1 TIP3 1425 18.952 -26.153 14.809 0.00 0.00 WAT1 ATOM 6682 H2 TIP3 1425 19.746 -27.347 15.294 0.00 0.00 WAT1 ATOM 6683 OH2 TIP3 1426 20.748 -19.413 3.487 0.00 0.00 WAT1 ATOM 6684 H1 TIP3 1426 20.062 -19.061 4.054 0.00 0.00 WAT1 ATOM 6685 H2 TIP3 1426 21.271 -18.650 3.241 0.00 0.00 WAT1 ATOM 6686 OH2 TIP3 1427 26.564 -25.371 5.698 0.00 0.00 WAT1 ATOM 6687 H1 TIP3 1427 27.376 -24.867 5.744 0.00 0.00 WAT1 ATOM 6688 H2 TIP3 1427 26.319 -25.516 6.612 0.00 0.00 WAT1 ATOM 6689 OH2 TIP3 1428 27.448 -28.290 6.636 0.00 0.00 WAT1 ATOM 6690 H1 TIP3 1428 27.101 -27.672 7.281 0.00 0.00 WAT1 ATOM 6691 H2 TIP3 1428 28.106 -27.789 6.155 0.00 0.00 WAT1 ATOM 6692 OH2 TIP3 1429 23.105 -27.227 3.324 0.00 0.00 WAT1 ATOM 6693 H1 TIP3 1429 23.022 -26.338 3.670 0.00 0.00 WAT1 ATOM 6694 H2 TIP3 1429 23.995 -27.492 3.555 0.00 0.00 WAT1 ATOM 6695 OH2 TIP3 1430 21.364 -16.799 2.384 0.00 0.00 WAT1 ATOM 6696 H1 TIP3 1430 21.956 -16.100 2.660 0.00 0.00 WAT1 ATOM 6697 H2 TIP3 1430 21.823 -17.232 1.665 0.00 0.00 WAT1 ATOM 6698 OH2 TIP3 1431 19.680 -24.135 1.500 0.00 0.00 WAT1 ATOM 6699 H1 TIP3 1431 19.635 -23.196 1.679 0.00 0.00 WAT1 ATOM 6700 H2 TIP3 1431 18.792 -24.371 1.230 0.00 0.00 WAT1 ATOM 6701 OH2 TIP3 1432 19.418 -15.413 6.334 0.00 0.00 WAT1 ATOM 6702 H1 TIP3 1432 18.586 -14.940 6.361 0.00 0.00 WAT1 ATOM 6703 H2 TIP3 1432 19.964 -14.903 5.735 0.00 0.00 WAT1 ATOM 6704 OH2 TIP3 1433 18.614 -18.990 18.618 0.00 0.00 WAT1 ATOM 6705 H1 TIP3 1433 18.758 -19.892 18.332 0.00 0.00 WAT1 ATOM 6706 H2 TIP3 1433 17.841 -18.704 18.130 0.00 0.00 WAT1 ATOM 6707 OH2 TIP3 1434 19.446 -21.790 18.038 0.00 0.00 WAT1 ATOM 6708 H1 TIP3 1434 19.854 -22.647 17.917 0.00 0.00 WAT1 ATOM 6709 H2 TIP3 1434 19.186 -21.775 18.959 0.00 0.00 WAT1 ATOM 6710 OH2 TIP3 1435 24.145 -27.056 13.987 0.00 0.00 WAT1 ATOM 6711 H1 TIP3 1435 24.681 -26.605 13.335 0.00 0.00 WAT1 ATOM 6712 H2 TIP3 1435 23.293 -27.164 13.565 0.00 0.00 WAT1 ATOM 6713 OH2 TIP3 1436 24.951 -29.600 14.419 0.00 0.00 WAT1 ATOM 6714 H1 TIP3 1436 24.853 -28.653 14.313 0.00 0.00 WAT1 ATOM 6715 H2 TIP3 1436 24.208 -29.972 13.943 0.00 0.00 WAT1 ATOM 6716 OH2 TIP3 1437 20.392 -26.307 18.111 0.00 0.00 WAT1 ATOM 6717 H1 TIP3 1437 20.603 -27.014 17.500 0.00 0.00 WAT1 ATOM 6718 H2 TIP3 1437 20.280 -26.745 18.955 0.00 0.00 WAT1 ATOM 6719 OH2 TIP3 1438 25.173 -30.306 17.090 0.00 0.00 WAT1 ATOM 6720 H1 TIP3 1438 25.885 -30.946 17.076 0.00 0.00 WAT1 ATOM 6721 H2 TIP3 1438 25.072 -30.039 16.176 0.00 0.00 WAT1 ATOM 6722 OH2 TIP3 1439 25.526 -28.623 19.144 0.00 0.00 WAT1 ATOM 6723 H1 TIP3 1439 25.395 -29.099 18.323 0.00 0.00 WAT1 ATOM 6724 H2 TIP3 1439 24.927 -27.879 19.088 0.00 0.00 WAT1 ATOM 6725 OH2 TIP3 1440 18.641 -17.104 1.803 0.00 0.00 WAT1 ATOM 6726 H1 TIP3 1440 19.555 -17.025 2.076 0.00 0.00 WAT1 ATOM 6727 H2 TIP3 1440 18.648 -17.791 1.136 0.00 0.00 WAT1 ATOM 6728 OH2 TIP3 1441 18.240 -20.555 11.136 0.00 0.00 WAT1 ATOM 6729 H1 TIP3 1441 18.424 -20.637 10.201 0.00 0.00 WAT1 ATOM 6730 H2 TIP3 1441 19.089 -20.679 11.560 0.00 0.00 WAT1 ATOM 6731 OH2 TIP3 1442 17.838 -25.284 17.277 0.00 0.00 WAT1 ATOM 6732 H1 TIP3 1442 18.757 -25.406 17.513 0.00 0.00 WAT1 ATOM 6733 H2 TIP3 1442 17.388 -26.034 17.666 0.00 0.00 WAT1 ATOM 6734 OH2 TIP3 1443 27.790 -28.104 9.645 0.00 0.00 WAT1 ATOM 6735 H1 TIP3 1443 27.115 -28.733 9.900 0.00 0.00 WAT1 ATOM 6736 H2 TIP3 1443 28.354 -28.588 9.042 0.00 0.00 WAT1 ATOM 6737 OH2 TIP3 1444 20.814 -27.756 1.713 0.00 0.00 WAT1 ATOM 6738 H1 TIP3 1444 21.305 -28.386 1.185 0.00 0.00 WAT1 ATOM 6739 H2 TIP3 1444 21.437 -27.460 2.376 0.00 0.00 WAT1 ATOM 6740 OH2 TIP3 1445 25.840 -27.463 4.170 0.00 0.00 WAT1 ATOM 6741 H1 TIP3 1445 26.018 -28.109 4.853 0.00 0.00 WAT1 ATOM 6742 H2 TIP3 1445 25.786 -26.629 4.637 0.00 0.00 WAT1 ATOM 6743 OH2 TIP3 1446 22.047 -29.605 18.520 0.00 0.00 WAT1 ATOM 6744 H1 TIP3 1446 22.946 -29.879 18.335 0.00 0.00 WAT1 ATOM 6745 H2 TIP3 1446 21.661 -30.348 18.984 0.00 0.00 WAT1 ATOM 6746 OH2 TIP3 1447 17.676 -27.715 24.148 0.00 0.00 WAT1 ATOM 6747 H1 TIP3 1447 16.751 -27.506 24.018 0.00 0.00 WAT1 ATOM 6748 H2 TIP3 1447 18.130 -27.231 23.458 0.00 0.00 WAT1 ATOM 6749 OH2 TIP3 1448 20.116 -29.470 26.323 0.00 0.00 WAT1 ATOM 6750 H1 TIP3 1448 19.339 -29.704 25.815 0.00 0.00 WAT1 ATOM 6751 H2 TIP3 1448 20.647 -30.267 26.331 0.00 0.00 WAT1 ATOM 6752 OH2 TIP3 1449 18.953 -29.672 22.126 0.00 0.00 WAT1 ATOM 6753 H1 TIP3 1449 19.392 -29.061 21.535 0.00 0.00 WAT1 ATOM 6754 H2 TIP3 1449 18.319 -29.134 22.600 0.00 0.00 WAT1 ATOM 6755 OH2 TIP3 1450 20.814 -27.756 20.569 0.00 0.00 WAT1 ATOM 6756 H1 TIP3 1450 21.305 -28.386 20.041 0.00 0.00 WAT1 ATOM 6757 H2 TIP3 1450 21.437 -27.460 21.232 0.00 0.00 WAT1 END