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 12:09:04 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 4.195 1.060 -19.145 1.00 3.24 ATOM 2 CB MET 1 3.729 2.578 -20.575 1.00 41.15 ATOM 3 HB1 MET 1 2.679 2.565 -20.314 1.00 38.14 ATOM 4 HB2 MET 1 3.825 2.723 -21.644 1.00 53.20 ATOM 5 CG MET 1 4.379 3.759 -19.873 1.00 14.22 ATOM 6 HG1 MET 1 5.435 3.760 -20.095 1.00 38.14 ATOM 7 HG2 MET 1 4.241 3.652 -18.808 1.00 5.54 ATOM 8 SD MET 1 3.698 5.343 -20.402 1.00 74.52 ATOM 9 CE MET 1 2.422 5.591 -19.170 1.00 54.31 ATOM 10 HE1 MET 1 2.871 5.620 -18.188 1.00 43.31 ATOM 11 HE2 MET 1 1.712 4.778 -19.218 1.00 54.21 ATOM 12 HE3 MET 1 1.914 6.524 -19.361 1.00 3.15 ATOM 13 C MET 1 3.675 0.112 -20.995 1.00 0.31 ATOM 14 O MET 1 3.578 0.178 -22.220 1.00 22.14 ATOM 15 N MET 1 5.785 1.247 -20.448 1.00 23.42 ATOM 16 HT1 MET 1 6.264 1.877 -19.774 1.00 38.14 ATOM 17 HT2 MET 1 5.993 1.571 -21.417 1.00 38.14 ATOM 18 HT3 MET 1 6.184 0.290 -20.330 1.00 38.14 ATOM 19 CA MET 1 4.348 1.229 -20.203 1.00 53.32 ATOM 20 N GLY 2 3.212 -0.913 -20.287 1.00 34.24 ATOM 21 HN GLY 2 3.305 -0.912 -19.305 1.00 38.14 ATOM 22 CA GLY 2 2.554 -2.030 -20.940 1.00 45.34 ATOM 23 HA1 GLY 2 2.909 -2.128 -21.960 1.00 38.14 ATOM 24 HA2 GLY 2 1.492 -1.840 -20.962 1.00 0.21 ATOM 25 C GLY 2 2.797 -3.344 -20.226 1.00 63.52 ATOM 26 O GLY 2 3.687 -3.445 -19.381 1.00 22.11 ATOM 27 N HIS 3 2.003 -4.356 -20.565 1.00 4.54 ATOM 28 HN HIS 3 1.315 -4.223 -21.260 1.00 38.14 ATOM 29 CA HIS 3 2.136 -5.671 -19.948 1.00 51.15 ATOM 30 HA HIS 3 2.669 -5.564 -19.007 1.00 40.12 ATOM 31 CB HIS 3 0.756 -6.258 -19.649 1.00 25.40 ATOM 32 HB1 HIS 3 0.868 -7.261 -19.258 1.00 38.14 ATOM 33 HB2 HIS 3 0.182 -6.296 -20.563 1.00 62.04 ATOM 34 CG HIS 3 -0.028 -5.466 -18.649 1.00 41.21 ATOM 35 ND1 HIS 3 -0.068 -5.777 -17.306 1.00 61.14 ATOM 36 HD1 HIS 3 0.397 -6.526 -16.878 1.00 22.34 ATOM 37 CD2 HIS 3 -0.804 -4.367 -18.802 1.00 60.54 ATOM 38 HD2 HIS 3 -1.000 -3.845 -19.728 1.00 63.43 ATOM 39 CE1 HIS 3 -0.836 -4.906 -16.677 1.00 50.43 ATOM 40 HE1 HIS 3 -1.051 -4.902 -15.619 1.00 32.25 ATOM 41 NE2 HIS 3 -1.295 -4.039 -17.563 1.00 23.34 ATOM 42 HE2 HIS 3 -1.963 -3.345 -17.381 1.00 38.14 ATOM 43 C HIS 3 2.920 -6.618 -20.852 1.00 51.32 ATOM 44 O HIS 3 2.662 -6.702 -22.053 1.00 52.34 ATOM 45 N HIS 4 3.879 -7.328 -20.267 1.00 72.40 ATOM 46 HN HIS 4 4.053 -7.210 -19.303 1.00 38.14 ATOM 47 CA HIS 4 4.701 -8.269 -21.020 1.00 33.32 ATOM 48 HA HIS 4 4.122 -8.630 -21.867 1.00 54.11 ATOM 49 CB HIS 4 5.962 -7.577 -21.537 1.00 51.22 ATOM 50 HB1 HIS 4 6.753 -8.307 -21.675 1.00 38.14 ATOM 51 HB2 HIS 4 6.289 -6.842 -20.815 1.00 10.23 ATOM 52 CG HIS 4 5.766 -6.874 -22.845 1.00 73.32 ATOM 53 ND1 HIS 4 5.105 -5.670 -22.961 1.00 12.42 ATOM 54 HD1 HIS 4 4.725 -5.151 -22.223 1.00 22.24 ATOM 55 CD2 HIS 4 6.150 -7.213 -24.098 1.00 54.23 ATOM 56 HD2 HIS 4 6.696 -8.102 -24.383 1.00 32.45 ATOM 57 CE1 HIS 4 5.089 -5.298 -24.229 1.00 20.45 ATOM 58 HE1 HIS 4 4.640 -4.396 -24.617 1.00 21.00 ATOM 59 NE2 HIS 4 5.717 -6.217 -24.940 1.00 30.44 ATOM 60 HE2 HIS 4 5.768 -6.237 -25.918 1.00 38.14 ATOM 61 C HIS 4 5.082 -9.469 -20.157 1.00 50.42 ATOM 62 O HIS 4 5.693 -9.316 -19.099 1.00 12.01 ATOM 63 N HIS 5 4.717 -10.662 -20.616 1.00 50.42 ATOM 64 HN HIS 5 4.238 -10.732 -21.474 1.00 38.14 ATOM 65 CA HIS 5 5.021 -11.887 -19.886 1.00 72.21 ATOM 66 HA HIS 5 5.403 -11.628 -18.903 1.00 62.14 ATOM 67 CB HIS 5 3.753 -12.720 -19.696 1.00 32.04 ATOM 68 HB1 HIS 5 4.009 -13.669 -19.240 1.00 38.14 ATOM 69 HB2 HIS 5 3.302 -12.901 -20.660 1.00 10.02 ATOM 70 CG HIS 5 2.727 -12.059 -18.827 1.00 61.20 ATOM 71 ND1 HIS 5 2.141 -12.684 -17.746 1.00 42.51 ATOM 72 HD1 HIS 5 2.327 -13.597 -17.442 1.00 33.31 ATOM 73 CD2 HIS 5 2.185 -10.820 -18.884 1.00 35.43 ATOM 74 HD2 HIS 5 2.411 -10.053 -19.611 1.00 73.35 ATOM 75 CE1 HIS 5 1.281 -11.858 -17.177 1.00 23.04 ATOM 76 HE1 HIS 5 0.675 -12.076 -16.310 1.00 24.33 ATOM 77 NE2 HIS 5 1.289 -10.720 -17.847 1.00 60.34 ATOM 78 HE2 HIS 5 0.676 -9.971 -17.694 1.00 38.14 ATOM 79 C HIS 5 6.078 -12.708 -20.619 1.00 35.31 ATOM 80 O HIS 5 5.852 -13.173 -21.737 1.00 45.41 ATOM 81 N HIS 6 7.231 -12.883 -19.982 1.00 2.10 ATOM 82 HN HIS 6 7.357 -12.500 -19.083 1.00 38.14 ATOM 83 CA HIS 6 8.323 -13.648 -20.574 1.00 10.03 ATOM 84 HA HIS 6 8.113 -13.821 -21.623 1.00 32.14 ATOM 85 CB HIS 6 9.634 -12.868 -20.471 1.00 23.41 ATOM 86 HB1 HIS 6 10.425 -13.435 -20.944 1.00 38.14 ATOM 87 HB2 HIS 6 9.879 -12.718 -19.429 1.00 15.01 ATOM 88 CG HIS 6 9.583 -11.522 -21.124 1.00 43.33 ATOM 89 ND1 HIS 6 10.529 -10.542 -20.905 1.00 30.52 ATOM 90 HD1 HIS 6 11.309 -10.621 -20.317 1.00 50.01 ATOM 91 CD2 HIS 6 8.693 -10.994 -21.997 1.00 65.44 ATOM 92 HD2 HIS 6 7.817 -11.486 -22.395 1.00 73.12 ATOM 93 CE1 HIS 6 10.222 -9.470 -21.613 1.00 61.52 ATOM 94 HE1 HIS 6 10.783 -8.548 -21.638 1.00 45.02 ATOM 95 NE2 HIS 6 9.113 -9.719 -22.286 1.00 13.14 ATOM 96 HE2 HIS 6 8.617 -9.063 -22.819 1.00 38.14 ATOM 97 C HIS 6 8.469 -15.004 -19.890 1.00 72.34 ATOM 98 O HIS 6 8.431 -16.047 -20.544 1.00 33.43 ATOM 99 N HIS 7 8.637 -14.982 -18.572 1.00 33.31 ATOM 100 HN HIS 7 8.666 -14.111 -18.108 1.00 38.14 ATOM 101 CA HIS 7 8.789 -16.211 -17.800 1.00 15.40 ATOM 102 HA HIS 7 9.619 -16.769 -18.213 1.00 73.44 ATOM 103 CB HIS 7 9.095 -15.884 -16.338 1.00 63.51 ATOM 104 HB1 HIS 7 10.011 -15.313 -16.293 1.00 38.14 ATOM 105 HB2 HIS 7 9.226 -16.802 -15.783 1.00 32.24 ATOM 106 CG HIS 7 8.021 -15.087 -15.664 1.00 63.31 ATOM 107 ND1 HIS 7 6.909 -15.661 -15.086 1.00 31.15 ATOM 108 HD1 HIS 7 6.709 -16.620 -15.057 1.00 2.35 ATOM 109 CD2 HIS 7 7.895 -13.753 -15.477 1.00 11.23 ATOM 110 HD2 HIS 7 8.590 -12.992 -15.803 1.00 71.30 ATOM 111 CE1 HIS 7 6.144 -14.714 -14.573 1.00 51.00 ATOM 112 HE1 HIS 7 5.208 -14.868 -14.058 1.00 62.13 ATOM 113 NE2 HIS 7 6.720 -13.547 -14.796 1.00 51.45 ATOM 114 HE2 HIS 7 6.320 -12.674 -14.603 1.00 38.14 ATOM 115 C HIS 7 7.529 -17.067 -17.889 1.00 22.30 ATOM 116 O HIS 7 6.516 -16.644 -18.446 1.00 51.21 ATOM 117 N HIS 8 7.600 -18.275 -17.337 1.00 43.42 ATOM 118 HN HIS 8 8.413 -18.532 -16.855 1.00 38.14 ATOM 119 CA HIS 8 6.466 -19.191 -17.355 1.00 32.14 ATOM 120 HA HIS 8 5.671 -18.770 -17.958 1.00 4.45 ATOM 121 CB HIS 8 6.874 -20.530 -17.970 1.00 51.34 ATOM 122 HB1 HIS 8 7.035 -20.390 -19.029 1.00 38.14 ATOM 123 HB2 HIS 8 6.084 -21.256 -17.829 1.00 13.42 ATOM 124 CG HIS 8 8.132 -21.097 -17.390 1.00 23.44 ATOM 125 ND1 HIS 8 8.139 -22.091 -16.433 1.00 54.24 ATOM 126 HD1 HIS 8 7.347 -22.517 -16.044 1.00 62.42 ATOM 127 CD2 HIS 8 9.431 -20.807 -17.636 1.00 41.44 ATOM 128 HD2 HIS 8 9.802 -20.071 -18.336 1.00 3.31 ATOM 129 CE1 HIS 8 9.387 -22.385 -16.116 1.00 34.33 ATOM 130 HE1 HIS 8 9.698 -23.126 -15.395 1.00 15.41 ATOM 131 NE2 HIS 8 10.190 -21.620 -16.832 1.00 65.41 ATOM 132 HE2 HIS 8 11.167 -21.697 -16.860 1.00 38.14 ATOM 133 C HIS 8 5.923 -19.410 -15.946 1.00 32.43 ATOM 134 O HIS 8 6.543 -19.009 -14.961 1.00 44.24 ATOM 135 N SER 9 4.761 -20.049 -15.857 1.00 75.23 ATOM 136 HN SER 9 4.302 -20.344 -16.678 1.00 38.14 ATOM 137 CA SER 9 4.132 -20.318 -14.569 1.00 52.43 ATOM 138 HA SER 9 4.834 -20.102 -13.773 1.00 20.41 ATOM 139 CB SER 9 2.901 -19.428 -14.384 1.00 33.43 ATOM 140 HB1 SER 9 2.436 -19.629 -13.431 1.00 38.14 ATOM 141 HB2 SER 9 2.193 -19.623 -15.176 1.00 53.23 ATOM 142 OG SER 9 3.252 -18.056 -14.423 1.00 22.22 ATOM 143 HG SER 9 2.455 -17.521 -14.427 1.00 54.01 ATOM 144 C SER 9 3.735 -21.786 -14.454 1.00 75.12 ATOM 145 O SER 9 4.033 -22.593 -15.335 1.00 50.14 ATOM 146 N HIS 10 3.059 -22.126 -13.361 1.00 22.01 ATOM 147 HN HIS 10 2.872 -21.461 -12.665 1.00 38.14 ATOM 148 CA HIS 10 2.620 -23.497 -13.129 1.00 74.43 ATOM 149 HA HIS 10 2.136 -23.531 -12.163 1.00 61.53 ATOM 150 CB HIS 10 1.622 -23.924 -14.206 1.00 72.32 ATOM 151 HB1 HIS 10 1.363 -24.965 -14.057 1.00 38.14 ATOM 152 HB2 HIS 10 2.061 -23.813 -15.182 1.00 10.55 ATOM 153 CG HIS 10 0.344 -23.143 -14.182 1.00 61.23 ATOM 154 ND1 HIS 10 -0.286 -22.696 -15.324 1.00 73.34 ATOM 155 HD1 HIS 10 0.026 -22.837 -16.242 1.00 72.53 ATOM 156 CD2 HIS 10 -0.422 -22.731 -13.146 1.00 35.34 ATOM 157 HD2 HIS 10 -0.229 -22.906 -12.097 1.00 74.11 ATOM 158 CE1 HIS 10 -1.384 -22.042 -14.991 1.00 53.22 ATOM 159 HE1 HIS 10 -2.078 -21.581 -15.678 1.00 0.35 ATOM 160 NE2 HIS 10 -1.490 -22.049 -13.675 1.00 13.04 ATOM 161 HE2 HIS 10 -2.161 -21.555 -13.160 1.00 38.14 ATOM 162 C HIS 10 3.808 -24.454 -13.113 1.00 5.52 ATOM 163 O HIS 10 3.711 -25.588 -13.579 1.00 60.14 ATOM 164 N MET 11 4.930 -23.987 -12.573 1.00 53.43 ATOM 165 HN MET 11 4.949 -23.073 -12.204 1.00 38.14 ATOM 166 CA MET 11 6.137 -24.801 -12.496 1.00 40.01 ATOM 167 HA MET 11 6.471 -24.967 -13.511 1.00 52.42 ATOM 168 CB MET 11 7.222 -24.068 -11.705 1.00 64.41 ATOM 169 HB1 MET 11 7.791 -24.793 -11.145 1.00 38.14 ATOM 170 HB2 MET 11 6.747 -23.395 -11.000 1.00 61.52 ATOM 171 CG MET 11 8.159 -23.247 -12.576 1.00 23.11 ATOM 172 HG1 MET 11 8.025 -22.203 -12.332 1.00 38.14 ATOM 173 HG2 MET 11 7.926 -23.397 -13.622 1.00 74.14 ATOM 174 SD MET 11 9.894 -23.668 -12.319 1.00 73.13 ATOM 175 CE MET 11 10.006 -23.566 -10.535 1.00 23.44 ATOM 176 HE1 MET 11 9.640 -24.481 -10.095 1.00 0.34 ATOM 177 HE2 MET 11 9.414 -22.735 -10.181 1.00 55.21 ATOM 178 HE3 MET 11 11.037 -23.419 -10.249 1.00 11.43 ATOM 179 C MET 11 5.842 -26.150 -11.848 1.00 63.12 ATOM 180 O MET 11 4.839 -26.328 -11.157 1.00 51.12 ATOM 181 N PRO 12 6.736 -27.125 -12.075 1.00 54.52 ATOM 182 CA PRO 12 6.592 -28.474 -11.522 1.00 24.41 ATOM 183 HA PRO 12 5.634 -28.896 -11.763 1.00 35.31 ATOM 184 CB PRO 12 7.697 -29.266 -12.227 1.00 2.45 ATOM 185 HB1 PRO 12 7.287 -29.732 -13.110 1.00 38.14 ATOM 186 HB2 PRO 12 8.109 -30.031 -11.581 1.00 64.32 ATOM 187 CG PRO 12 8.718 -28.245 -12.595 1.00 30.00 ATOM 188 HG1 PRO 12 9.261 -28.567 -13.471 1.00 38.14 ATOM 189 HG2 PRO 12 9.396 -28.089 -11.769 1.00 21.31 ATOM 190 CD PRO 12 7.955 -26.983 -12.889 1.00 73.32 ATOM 191 HD1 PRO 12 7.713 -26.924 -13.940 1.00 38.14 ATOM 192 HD2 PRO 12 8.535 -26.142 -12.591 1.00 0.10 ATOM 193 C PRO 12 6.795 -28.506 -10.011 1.00 23.10 ATOM 194 O PRO 12 7.859 -28.893 -9.526 1.00 12.31 ATOM 195 N ASP 13 5.769 -28.098 -9.272 1.00 44.14 ATOM 196 HN ASP 13 4.941 -27.793 -9.710 1.00 38.14 ATOM 197 CA ASP 13 5.835 -28.081 -7.816 1.00 32.24 ATOM 198 HA ASP 13 6.771 -28.519 -7.492 1.00 33.41 ATOM 199 CB ASP 13 5.771 -26.644 -7.297 1.00 55.44 ATOM 200 HB1 ASP 13 6.544 -26.064 -7.778 1.00 38.14 ATOM 201 HB2 ASP 13 5.937 -26.642 -6.229 1.00 70.30 ATOM 202 CG ASP 13 4.434 -25.986 -7.580 1.00 2.42 ATOM 203 OD1 ASP 13 3.893 -25.328 -6.667 1.00 52.52 ATOM 204 OD2 ASP 13 3.929 -26.129 -8.713 1.00 64.32 ATOM 205 C ASP 13 4.701 -28.904 -7.211 1.00 43.03 ATOM 206 O ASP 13 4.291 -28.673 -6.074 1.00 34.05 ATOM 207 N HIS 14 4.199 -29.864 -7.981 1.00 34.54 ATOM 208 HN HIS 14 4.543 -29.994 -8.888 1.00 38.14 ATOM 209 CA HIS 14 3.112 -30.722 -7.521 1.00 54.32 ATOM 210 HA HIS 14 2.915 -30.521 -6.473 1.00 41.22 ATOM 211 CB HIS 14 1.843 -30.451 -8.331 1.00 64.33 ATOM 212 HB1 HIS 14 1.277 -31.368 -8.452 1.00 38.14 ATOM 213 HB2 HIS 14 2.111 -30.078 -9.309 1.00 11.34 ATOM 214 CG HIS 14 0.931 -29.447 -7.698 1.00 13.03 ATOM 215 ND1 HIS 14 -0.223 -29.796 -7.028 1.00 52.32 ATOM 216 HD1 HIS 14 -0.557 -30.708 -6.901 1.00 10.53 ATOM 217 CD2 HIS 14 1.008 -28.097 -7.633 1.00 23.22 ATOM 218 HD2 HIS 14 1.789 -27.479 -8.054 1.00 74.23 ATOM 219 CE1 HIS 14 -0.817 -28.704 -6.580 1.00 41.25 ATOM 220 HE1 HIS 14 -1.739 -28.671 -6.019 1.00 14.15 ATOM 221 NE2 HIS 14 -0.089 -27.659 -6.934 1.00 35.43 ATOM 222 HE2 HIS 14 -0.349 -26.722 -6.811 1.00 38.14 ATOM 223 C HIS 14 3.497 -32.194 -7.633 1.00 15.13 ATOM 224 O HIS 14 3.137 -33.006 -6.781 1.00 51.14 ATOM 225 N GLY 15 4.230 -32.531 -8.690 1.00 12.25 ATOM 226 HN GLY 15 4.470 -31.867 -9.367 1.00 38.14 ATOM 227 CA GLY 15 4.650 -33.905 -8.893 1.00 41.32 ATOM 228 HA1 GLY 15 4.907 -34.355 -7.941 1.00 38.14 ATOM 229 HA2 GLY 15 5.530 -33.903 -9.521 1.00 23.04 ATOM 230 C GLY 15 3.580 -34.746 -9.560 1.00 14.22 ATOM 231 O GLY 15 2.404 -34.382 -9.557 1.00 55.23 ATOM 232 N ASP 16 3.987 -35.873 -10.133 1.00 51.45 ATOM 233 HN ASP 16 4.938 -36.106 -10.126 1.00 38.14 ATOM 234 CA ASP 16 3.054 -36.768 -10.808 1.00 11.21 ATOM 235 HA ASP 16 3.612 -37.622 -11.161 1.00 71.34 ATOM 236 CB ASP 16 1.977 -37.246 -9.833 1.00 11.44 ATOM 237 HB1 ASP 16 1.422 -38.050 -10.294 1.00 38.14 ATOM 238 HB2 ASP 16 1.298 -36.439 -9.602 1.00 53.50 ATOM 239 CG ASP 16 2.561 -37.762 -8.533 1.00 2.05 ATOM 240 OD1 ASP 16 2.795 -36.942 -7.621 1.00 5.33 ATOM 241 OD2 ASP 16 2.785 -38.986 -8.427 1.00 60.31 ATOM 242 C ASP 16 2.405 -36.076 -12.003 1.00 31.41 ATOM 243 O ASP 16 1.198 -36.190 -12.218 1.00 1.44 ATOM 244 N TRP 17 3.213 -35.360 -12.776 1.00 22.41 ATOM 245 HN TRP 17 4.176 -35.318 -12.563 1.00 38.14 ATOM 246 CA TRP 17 2.717 -34.649 -13.949 1.00 21.41 ATOM 247 HA TRP 17 1.911 -33.997 -13.631 1.00 12.42 ATOM 248 CB TRP 17 3.834 -33.810 -14.572 1.00 74.10 ATOM 249 HB1 TRP 17 3.671 -33.717 -15.641 1.00 38.14 ATOM 250 HB2 TRP 17 4.786 -34.296 -14.407 1.00 73.40 ATOM 251 CG TRP 17 3.923 -32.425 -14.005 1.00 75.45 ATOM 252 CD1 TRP 17 3.913 -32.078 -12.685 1.00 32.13 ATOM 253 HD1 TRP 17 3.838 -32.783 -11.871 1.00 71.22 ATOM 254 CD2 TRP 17 4.033 -31.203 -14.743 1.00 33.10 ATOM 255 NE1 TRP 17 4.010 -30.713 -12.557 1.00 22.43 ATOM 256 HE1 TRP 17 4.019 -30.224 -11.710 1.00 32.42 ATOM 257 CE2 TRP 17 4.086 -30.154 -13.805 1.00 0.23 ATOM 258 CE3 TRP 17 4.094 -30.893 -16.104 1.00 73.12 ATOM 259 HE3 TRP 17 4.055 -31.668 -16.856 1.00 11.13 ATOM 260 CZ2 TRP 17 4.196 -28.819 -14.186 1.00 70.33 ATOM 261 HZ2 TRP 17 4.238 -28.020 -13.461 1.00 21.12 ATOM 262 CZ3 TRP 17 4.202 -29.568 -16.481 1.00 65.13 ATOM 263 HZ3 TRP 17 4.250 -29.310 -17.529 1.00 24.31 ATOM 264 CH2 TRP 17 4.254 -28.545 -15.526 1.00 15.44 ATOM 265 HH2 TRP 17 4.338 -27.524 -15.867 1.00 24.13 ATOM 266 C TRP 17 2.160 -35.624 -14.981 1.00 4.11 ATOM 267 O TRP 17 1.026 -35.480 -15.437 1.00 74.24 ATOM 268 N THR 18 2.965 -36.617 -15.346 1.00 5.02 ATOM 269 HN THR 18 3.865 -36.680 -14.946 1.00 38.14 ATOM 270 CA THR 18 2.553 -37.615 -16.325 1.00 2.31 ATOM 271 HA THR 18 2.396 -37.110 -17.272 1.00 44.00 ATOM 272 CB THR 18 3.635 -38.695 -16.516 1.00 14.13 ATOM 273 HB THR 18 3.213 -39.531 -17.064 1.00 32.45 ATOM 274 OG1 THR 18 4.095 -39.158 -15.241 1.00 42.42 ATOM 275 HG1 THR 18 4.450 -40.047 -15.328 1.00 1.33 ATOM 276 CG2 THR 18 4.807 -38.151 -17.317 1.00 44.24 ATOM 277 HG21 THR 18 5.245 -37.312 -16.795 1.00 65.22 ATOM 278 HG22 THR 18 4.464 -37.831 -18.290 1.00 11.50 ATOM 279 HG23 THR 18 5.550 -38.926 -17.436 1.00 2.34 ATOM 280 C THR 18 1.249 -38.286 -15.910 1.00 54.53 ATOM 281 O THR 18 0.898 -38.308 -14.730 1.00 44.31 ATOM 282 N TYR 19 0.533 -38.832 -16.887 1.00 45.12 ATOM 283 HN TYR 19 0.869 -38.784 -17.815 1.00 38.14 ATOM 284 CA TYR 19 -0.734 -39.502 -16.624 1.00 32.45 ATOM 285 HA TYR 19 -1.398 -38.782 -16.160 1.00 23.34 ATOM 286 CB TYR 19 -1.358 -39.993 -17.931 1.00 44.34 ATOM 287 HB1 TYR 19 -0.897 -40.928 -18.229 1.00 38.14 ATOM 288 HB2 TYR 19 -1.169 -39.258 -18.705 1.00 43.25 ATOM 289 CG TYR 19 -2.851 -40.211 -17.846 1.00 32.33 ATOM 290 CD1 TYR 19 -3.740 -39.293 -18.392 1.00 62.44 ATOM 291 HD1 TYR 19 -3.353 -38.412 -18.886 1.00 3.33 ATOM 292 CD2 TYR 19 -3.374 -41.335 -17.217 1.00 51.33 ATOM 293 HD2 TYR 19 -2.701 -42.063 -16.788 1.00 15.22 ATOM 294 CE1 TYR 19 -5.105 -39.488 -18.316 1.00 33.41 ATOM 295 HE1 TYR 19 -5.779 -38.763 -18.747 1.00 53.31 ATOM 296 CE2 TYR 19 -4.738 -41.539 -17.137 1.00 50.55 ATOM 297 HE2 TYR 19 -5.124 -42.419 -16.645 1.00 52.54 ATOM 298 CZ TYR 19 -5.599 -40.613 -17.688 1.00 55.40 ATOM 299 OH TYR 19 -6.959 -40.811 -17.609 1.00 62.43 ATOM 300 HH TYR 19 -7.303 -41.062 -18.472 1.00 74.23 ATOM 301 C TYR 19 -0.541 -40.676 -15.668 1.00 13.33 ATOM 302 O TYR 19 -1.463 -41.063 -14.950 1.00 3.33 ATOM 303 N GLU 20 0.664 -41.237 -15.665 1.00 50.41 ATOM 304 HN GLU 20 1.358 -40.918 -16.284 1.00 38.14 ATOM 305 CA GLU 20 0.978 -42.366 -14.798 1.00 4.11 ATOM 306 HA GLU 20 0.171 -43.089 -14.878 1.00 51.02 ATOM 307 CB GLU 20 2.281 -43.034 -15.245 1.00 13.53 ATOM 308 HB1 GLU 20 2.673 -43.628 -14.425 1.00 38.14 ATOM 309 HB2 GLU 20 3.001 -42.267 -15.493 1.00 61.55 ATOM 310 CG GLU 20 2.117 -43.939 -16.454 1.00 33.23 ATOM 311 HG1 GLU 20 2.140 -43.331 -17.347 1.00 38.14 ATOM 312 HG2 GLU 20 1.165 -44.451 -16.393 1.00 53.03 ATOM 313 CD GLU 20 3.210 -44.986 -16.551 1.00 53.32 ATOM 314 OE1 GLU 20 3.376 -45.761 -15.586 1.00 53.10 ATOM 315 OE2 GLU 20 3.899 -45.030 -17.591 1.00 52.45 ATOM 316 C GLU 20 1.096 -41.919 -13.344 1.00 2.14 ATOM 317 O GLU 20 2.115 -41.363 -12.936 1.00 23.15 ATOM 318 N GLU 21 0.045 -42.166 -12.568 1.00 3.23 ATOM 319 HN GLU 21 -0.760 -42.558 -12.973 1.00 38.14 ATOM 320 CA GLU 21 0.031 -41.787 -11.160 1.00 35.44 ATOM 321 HA GLU 21 0.152 -40.714 -11.099 1.00 31.43 ATOM 322 CB GLU 21 -1.306 -42.170 -10.520 1.00 1.51 ATOM 323 HB1 GLU 21 -2.111 -41.856 -11.170 1.00 38.14 ATOM 324 HB2 GLU 21 -1.398 -41.652 -9.577 1.00 22.13 ATOM 325 CG GLU 21 -1.451 -43.659 -10.257 1.00 1.04 ATOM 326 HG1 GLU 21 -2.396 -43.821 -9.760 1.00 38.14 ATOM 327 HG2 GLU 21 -0.657 -44.000 -9.612 1.00 24.12 ATOM 328 CD GLU 21 -1.444 -44.480 -11.531 1.00 72.13 ATOM 329 OE1 GLU 21 -2.200 -44.134 -12.463 1.00 53.12 ATOM 330 OE2 GLU 21 -0.684 -45.468 -11.597 1.00 62.33 ATOM 331 C GLU 21 1.177 -42.454 -10.405 1.00 62.20 ATOM 332 O GLU 21 1.650 -41.938 -9.393 1.00 43.31 ATOM 333 N GLN 22 1.617 -43.604 -10.905 1.00 65.14 ATOM 334 HN GLN 22 1.189 -43.994 -11.697 1.00 38.14 ATOM 335 CA GLN 22 2.707 -44.342 -10.278 1.00 64.10 ATOM 336 HA GLN 22 2.349 -44.702 -9.322 1.00 13.31 ATOM 337 CB GLN 22 3.098 -45.545 -11.138 1.00 62.21 ATOM 338 HB1 GLN 22 3.257 -45.210 -12.152 1.00 38.14 ATOM 339 HB2 GLN 22 2.288 -46.260 -11.128 1.00 61.00 ATOM 340 CG GLN 22 4.362 -46.246 -10.666 1.00 33.04 ATOM 341 HG1 GLN 22 5.198 -45.565 -10.715 1.00 38.14 ATOM 342 HG2 GLN 22 4.551 -47.080 -11.327 1.00 11.33 ATOM 343 CD GLN 22 4.238 -46.784 -9.254 1.00 14.45 ATOM 344 OE1 GLN 22 3.137 -47.068 -8.780 1.00 23.52 ATOM 345 NE2 GLN 22 5.369 -46.926 -8.572 1.00 54.43 ATOM 346 HE21 GLN 22 6.221 -46.682 -9.000 1.00 24.25 ATOM 347 HE22 GLN 22 5.309 -47.273 -7.657 1.00 73.23 ATOM 348 C GLN 22 3.919 -43.442 -10.060 1.00 65.53 ATOM 349 O GLN 22 4.390 -42.782 -10.987 1.00 32.02 ATOM 350 N PHE 23 4.421 -43.421 -8.830 1.00 31.23 ATOM 351 HN PHE 23 4.014 -43.975 -8.125 1.00 38.14 ATOM 352 CA PHE 23 5.578 -42.601 -8.490 1.00 31.33 ATOM 353 HA PHE 23 5.848 -42.008 -9.356 1.00 0.43 ATOM 354 CB PHE 23 5.243 -41.666 -7.326 1.00 33.21 ATOM 355 HB1 PHE 23 5.524 -42.124 -6.389 1.00 38.14 ATOM 356 HB2 PHE 23 4.174 -41.491 -7.314 1.00 23.51 ATOM 357 CG PHE 23 5.906 -40.322 -7.427 1.00 32.34 ATOM 358 CD1 PHE 23 5.667 -39.497 -8.513 1.00 53.32 ATOM 359 HD1 PHE 23 4.995 -39.824 -9.295 1.00 1.10 ATOM 360 CD2 PHE 23 6.769 -39.885 -6.435 1.00 12.13 ATOM 361 HD2 PHE 23 6.974 -40.519 -5.586 1.00 63.11 ATOM 362 CE1 PHE 23 6.275 -38.259 -8.609 1.00 30.22 ATOM 363 HE1 PHE 23 6.087 -37.632 -9.461 1.00 1.04 ATOM 364 CE2 PHE 23 7.380 -38.648 -6.525 1.00 34.44 ATOM 365 HE2 PHE 23 8.052 -38.322 -5.763 1.00 74.23 ATOM 366 CZ PHE 23 7.133 -37.835 -7.614 1.00 24.05 ATOM 367 HZ PHE 23 7.609 -36.868 -7.686 1.00 21.52 ATOM 368 C PHE 23 6.775 -43.474 -8.127 1.00 24.43 ATOM 369 O PHE 23 6.944 -43.869 -6.973 1.00 2.34 ATOM 370 N LYS 24 7.605 -43.774 -9.121 1.00 13.42 ATOM 371 HN LYS 24 7.421 -43.422 -10.025 1.00 38.14 ATOM 372 CA LYS 24 8.788 -44.599 -8.909 1.00 34.33 ATOM 373 HA LYS 24 8.488 -45.474 -8.343 1.00 2.35 ATOM 374 CB LYS 24 9.371 -45.046 -10.251 1.00 53.34 ATOM 375 HB1 LYS 24 10.052 -44.287 -10.618 1.00 38.14 ATOM 376 HB2 LYS 24 8.566 -45.145 -10.969 1.00 70.33 ATOM 377 CG LYS 24 10.132 -46.358 -10.178 1.00 75.20 ATOM 378 HG1 LYS 24 10.606 -46.453 -9.208 1.00 38.14 ATOM 379 HG2 LYS 24 10.895 -46.345 -10.945 1.00 1.34 ATOM 380 CD LYS 24 9.213 -47.548 -10.399 1.00 60.32 ATOM 381 HD1 LYS 24 8.415 -47.281 -11.082 1.00 38.14 ATOM 382 HD2 LYS 24 8.788 -47.838 -9.450 1.00 71.01 ATOM 383 CE LYS 24 9.969 -48.736 -10.975 1.00 73.10 ATOM 384 HE1 LYS 24 9.460 -49.640 -10.676 1.00 38.14 ATOM 385 HE2 LYS 24 10.979 -48.754 -10.586 1.00 35.24 ATOM 386 NZ LYS 24 10.022 -48.691 -12.463 1.00 25.15 ATOM 387 HZ1 LYS 24 9.059 -48.706 -12.860 1.00 32.22 ATOM 388 HZ2 LYS 24 10.543 -49.515 -12.824 1.00 41.44 ATOM 389 HZ3 LYS 24 10.505 -47.825 -12.782 1.00 43.11 ATOM 390 C LYS 24 9.844 -43.842 -8.110 1.00 51.15 ATOM 391 O LYS 24 10.776 -44.440 -7.575 1.00 23.34 ATOM 392 N GLN 25 9.690 -42.524 -8.035 1.00 12.01 ATOM 393 HN GLN 25 8.962 -42.085 -8.524 1.00 38.14 ATOM 394 CA GLN 25 10.631 -41.686 -7.301 1.00 33.11 ATOM 395 HA GLN 25 11.573 -41.735 -7.823 1.00 43.34 ATOM 396 CB GLN 25 10.128 -40.242 -7.250 1.00 21.33 ATOM 397 HB1 GLN 25 9.537 -40.102 -6.359 1.00 38.14 ATOM 398 HB2 GLN 25 9.508 -40.045 -8.114 1.00 3.12 ATOM 399 CG GLN 25 11.244 -39.210 -7.236 1.00 52.11 ATOM 400 HG1 GLN 25 11.817 -39.332 -6.327 1.00 38.14 ATOM 401 HG2 GLN 25 10.799 -38.225 -7.247 1.00 23.43 ATOM 402 CD GLN 25 12.167 -39.332 -8.432 1.00 73.15 ATOM 403 OE1 GLN 25 11.787 -39.013 -9.559 1.00 74.25 ATOM 404 NE2 GLN 25 13.388 -39.796 -8.194 1.00 11.35 ATOM 405 HE21 GLN 25 13.640 -40.037 -7.274 1.00 73.05 ATOM 406 HE22 GLN 25 13.998 -39.881 -8.956 1.00 52.25 ATOM 407 C GLN 25 10.841 -42.214 -5.886 1.00 33.43 ATOM 408 O GLN 25 11.973 -42.440 -5.458 1.00 24.34 ATOM 409 N LEU 26 9.743 -42.409 -5.163 1.00 71.14 ATOM 410 HN LEU 26 8.863 -42.204 -5.561 1.00 38.14 ATOM 411 CA LEU 26 9.806 -42.911 -3.795 1.00 43.11 ATOM 412 HA LEU 26 10.301 -42.167 -3.221 1.00 60.24 ATOM 413 CB LEU 26 8.396 -43.132 -3.246 1.00 52.11 ATOM 414 HB1 LEU 26 8.413 -43.977 -2.582 1.00 38.14 ATOM 415 HB2 LEU 26 7.741 -43.373 -4.073 1.00 15.52 ATOM 416 CG LEU 26 7.784 -41.961 -2.476 1.00 2.01 ATOM 417 HG LEU 26 7.728 -41.101 -3.127 1.00 43.35 ATOM 418 CD1 LEU 26 6.372 -42.299 -2.024 1.00 0.12 ATOM 419 HD11 LEU 26 6.407 -42.994 -1.195 1.00 50.23 ATOM 420 HD12 LEU 26 5.824 -42.753 -2.836 1.00 24.12 ATOM 421 HD13 LEU 26 5.869 -41.396 -1.712 1.00 73.13 ATOM 422 CD2 LEU 26 8.655 -41.595 -1.283 1.00 12.51 ATOM 423 HD21 LEU 26 8.978 -42.488 -0.764 1.00 71.32 ATOM 424 HD22 LEU 26 8.097 -40.969 -0.597 1.00 21.25 ATOM 425 HD23 LEU 26 9.513 -41.046 -1.628 1.00 70.03 ATOM 426 C LEU 26 10.600 -44.212 -3.728 1.00 51.14 ATOM 427 O LEU 26 11.253 -44.502 -2.726 1.00 35.15 ATOM 428 N TYR 27 10.541 -44.990 -4.803 1.00 72.40 ATOM 429 HN TYR 27 9.994 -44.724 -5.570 1.00 38.14 ATOM 430 CA TYR 27 11.254 -46.261 -4.867 1.00 13.33 ATOM 431 HA TYR 27 11.225 -46.724 -3.886 1.00 14.41 ATOM 432 CB TYR 27 10.583 -47.196 -5.874 1.00 33.11 ATOM 433 HB1 TYR 27 11.249 -48.023 -6.098 1.00 38.14 ATOM 434 HB2 TYR 27 10.386 -46.654 -6.784 1.00 33.45 ATOM 435 CG TYR 27 9.269 -47.767 -5.389 1.00 1.54 ATOM 436 CD1 TYR 27 9.110 -49.134 -5.203 1.00 74.45 ATOM 437 HD1 TYR 27 9.939 -49.793 -5.414 1.00 14.23 ATOM 438 CD2 TYR 27 8.188 -46.938 -5.116 1.00 75.23 ATOM 439 HD2 TYR 27 8.279 -45.876 -5.258 1.00 23.15 ATOM 440 CE1 TYR 27 7.911 -49.660 -4.761 1.00 22.30 ATOM 441 HE1 TYR 27 7.801 -50.722 -4.625 1.00 22.42 ATOM 442 CE2 TYR 27 6.986 -47.455 -4.672 1.00 60.10 ATOM 443 HE2 TYR 27 6.157 -46.794 -4.465 1.00 51.31 ATOM 444 CZ TYR 27 6.853 -48.817 -4.496 1.00 54.42 ATOM 445 OH TYR 27 5.657 -49.336 -4.055 1.00 51.41 ATOM 446 HH TYR 27 5.742 -49.621 -3.140 1.00 51.25 ATOM 447 C TYR 27 12.715 -46.047 -5.250 1.00 11.25 ATOM 448 O TYR 27 13.590 -46.816 -4.854 1.00 71.22 ATOM 449 N GLU 28 12.970 -44.995 -6.022 1.00 13.15 ATOM 450 HN GLU 28 12.237 -44.426 -6.333 1.00 38.14 ATOM 451 CA GLU 28 14.325 -44.679 -6.458 1.00 73.23 ATOM 452 HA GLU 28 14.946 -45.563 -6.362 1.00 65.25 ATOM 453 CB GLU 28 14.323 -44.247 -7.926 1.00 44.21 ATOM 454 HB1 GLU 28 15.298 -43.846 -8.181 1.00 38.14 ATOM 455 HB2 GLU 28 13.580 -43.475 -8.061 1.00 44.53 ATOM 456 CG GLU 28 14.014 -45.377 -8.893 1.00 64.13 ATOM 457 HG1 GLU 28 12.978 -45.660 -8.776 1.00 38.14 ATOM 458 HG2 GLU 28 14.646 -46.223 -8.661 1.00 43.20 ATOM 459 CD GLU 28 14.250 -44.988 -10.340 1.00 2.02 ATOM 460 OE1 GLU 28 14.587 -43.812 -10.591 1.00 71.22 ATOM 461 OE2 GLU 28 14.098 -45.860 -11.221 1.00 21.45 ATOM 462 C GLU 28 14.933 -43.579 -5.593 1.00 73.01 ATOM 463 O GLU 28 15.734 -42.772 -6.067 1.00 55.11 ATOM 464 N LEU 29 14.547 -43.553 -4.322 1.00 55.34 ATOM 465 HN LEU 29 13.938 -44.235 -3.977 1.00 38.14 ATOM 466 CA LEU 29 15.052 -42.552 -3.390 1.00 4.34 ATOM 467 HA LEU 29 15.038 -41.589 -3.882 1.00 43.41 ATOM 468 CB LEU 29 14.164 -42.489 -2.146 1.00 74.32 ATOM 469 HB1 LEU 29 14.677 -41.929 -1.371 1.00 38.14 ATOM 470 HB2 LEU 29 14.031 -43.500 -1.799 1.00 61.31 ATOM 471 CG LEU 29 12.778 -41.873 -2.342 1.00 32.41 ATOM 472 HG LEU 29 12.322 -42.341 -3.174 1.00 25.24 ATOM 473 CD1 LEU 29 11.913 -42.104 -1.113 1.00 13.24 ATOM 474 HD11 LEU 29 12.484 -42.595 -0.344 1.00 14.31 ATOM 475 HD12 LEU 29 11.090 -42.735 -1.371 1.00 13.13 ATOM 476 HD13 LEU 29 11.525 -41.172 -0.737 1.00 54.42 ATOM 477 CD2 LEU 29 12.893 -40.386 -2.644 1.00 70.42 ATOM 478 HD21 LEU 29 13.437 -40.243 -3.565 1.00 55.14 ATOM 479 HD22 LEU 29 13.412 -39.886 -1.841 1.00 60.11 ATOM 480 HD23 LEU 29 11.904 -39.959 -2.750 1.00 3.45 ATOM 481 C LEU 29 16.490 -42.861 -2.986 1.00 24.23 ATOM 482 O LEU 29 17.373 -42.009 -3.093 1.00 32.42 ATOM 483 N ASP 30 16.719 -44.085 -2.523 1.00 70.44 ATOM 484 HN ASP 30 15.980 -44.710 -2.448 1.00 38.14 ATOM 485 CA ASP 30 18.051 -44.509 -2.107 1.00 33.04 ATOM 486 HA ASP 30 18.746 -43.686 -2.226 1.00 21.44 ATOM 487 CB ASP 30 18.040 -44.924 -0.635 1.00 13.05 ATOM 488 HB1 ASP 30 19.020 -45.298 -0.364 1.00 38.14 ATOM 489 HB2 ASP 30 17.321 -45.705 -0.492 1.00 62.44 ATOM 490 CG ASP 30 17.713 -43.768 0.290 1.00 20.14 ATOM 491 OD1 ASP 30 17.898 -43.918 1.517 1.00 72.35 ATOM 492 OD2 ASP 30 17.273 -42.713 -0.212 1.00 4.11 ATOM 493 C ASP 30 18.548 -45.664 -2.970 1.00 25.12 ATOM 494 O ASP 30 19.729 -45.735 -3.309 1.00 30.33 ATOM 495 N GLY 31 17.639 -46.568 -3.322 1.00 22.35 ATOM 496 HN GLY 31 16.718 -46.490 -3.022 1.00 38.14 ATOM 497 CA GLY 31 18.005 -47.709 -4.141 1.00 4.31 ATOM 498 HA1 GLY 31 18.852 -47.465 -4.771 1.00 38.14 ATOM 499 HA2 GLY 31 17.167 -47.952 -4.777 1.00 44.23 ATOM 500 C GLY 31 18.346 -48.932 -3.313 1.00 71.01 ATOM 501 O GLY 31 19.390 -49.553 -3.512 1.00 21.33 ATOM 502 N ASP 32 17.464 -49.278 -2.382 1.00 22.13 ATOM 503 HN ASP 32 16.638 -48.756 -2.275 1.00 38.14 ATOM 504 CA ASP 32 17.677 -50.435 -1.520 1.00 31.12 ATOM 505 HA ASP 32 18.666 -50.830 -1.720 1.00 42.55 ATOM 506 CB ASP 32 17.599 -50.023 -0.049 1.00 30.21 ATOM 507 HB1 ASP 32 17.414 -50.891 0.571 1.00 38.14 ATOM 508 HB2 ASP 32 16.786 -49.323 0.081 1.00 1.51 ATOM 509 CG ASP 32 18.876 -49.366 0.437 1.00 51.24 ATOM 510 OD1 ASP 32 19.928 -50.038 0.430 1.00 2.14 ATOM 511 OD2 ASP 32 18.823 -48.179 0.824 1.00 72.43 ATOM 512 C ASP 32 16.650 -51.525 -1.811 1.00 23.33 ATOM 513 O ASP 32 15.551 -51.263 -2.299 1.00 41.22 ATOM 514 N PRO 33 17.016 -52.779 -1.505 1.00 75.21 ATOM 515 CA PRO 33 16.141 -53.935 -1.726 1.00 13.43 ATOM 516 HA PRO 33 15.796 -53.981 -2.745 1.00 41.22 ATOM 517 CB PRO 33 17.056 -55.130 -1.449 1.00 73.20 ATOM 518 HB1 PRO 33 17.493 -55.466 -2.377 1.00 38.14 ATOM 519 HB2 PRO 33 16.502 -55.944 -0.997 1.00 3.21 ATOM 520 CG PRO 33 18.101 -54.602 -0.528 1.00 61.24 ATOM 521 HG1 PRO 33 19.016 -55.162 -0.652 1.00 38.14 ATOM 522 HG2 PRO 33 17.756 -54.665 0.494 1.00 65.22 ATOM 523 CD PRO 33 18.311 -53.166 -0.920 1.00 55.41 ATOM 524 HD1 PRO 33 19.103 -53.087 -1.650 1.00 38.14 ATOM 525 HD2 PRO 33 18.543 -52.578 -0.049 1.00 60.14 ATOM 526 C PRO 33 14.947 -53.947 -0.777 1.00 74.05 ATOM 527 O PRO 33 13.964 -54.652 -1.009 1.00 22.35 ATOM 528 N LYS 34 15.037 -53.162 0.291 1.00 50.14 ATOM 529 HN LYS 34 15.850 -52.637 0.455 1.00 38.14 ATOM 530 CA LYS 34 13.964 -53.080 1.274 1.00 35.50 ATOM 531 HA LYS 34 13.343 -53.965 1.198 1.00 31.12 ATOM 532 CB LYS 34 14.544 -53.025 2.689 1.00 35.01 ATOM 533 HB1 LYS 34 13.731 -52.949 3.398 1.00 38.14 ATOM 534 HB2 LYS 34 15.157 -52.135 2.771 1.00 75.22 ATOM 535 CG LYS 34 15.415 -54.220 3.037 1.00 53.34 ATOM 536 HG1 LYS 34 16.342 -53.848 3.454 1.00 38.14 ATOM 537 HG2 LYS 34 15.633 -54.797 2.147 1.00 21.20 ATOM 538 CD LYS 34 14.736 -55.130 4.047 1.00 50.24 ATOM 539 HD1 LYS 34 14.227 -55.920 3.515 1.00 38.14 ATOM 540 HD2 LYS 34 14.019 -54.573 4.637 1.00 44.33 ATOM 541 CE LYS 34 15.744 -55.755 4.999 1.00 14.44 ATOM 542 HE1 LYS 34 16.203 -54.971 5.584 1.00 38.14 ATOM 543 HE2 LYS 34 16.504 -56.267 4.424 1.00 43.14 ATOM 544 NZ LYS 34 15.103 -56.734 5.920 1.00 31.20 ATOM 545 HZ1 LYS 34 14.660 -57.505 5.378 1.00 51.44 ATOM 546 HZ2 LYS 34 14.373 -56.266 6.496 1.00 15.23 ATOM 547 HZ3 LYS 34 15.818 -57.142 6.556 1.00 61.14 ATOM 548 C LYS 34 13.088 -51.857 1.024 1.00 41.32 ATOM 549 O LYS 34 12.008 -51.726 1.601 1.00 43.05 ATOM 550 N ARG 35 13.560 -50.964 0.160 1.00 51.13 ATOM 551 HN ARG 35 14.431 -51.109 -0.264 1.00 38.14 ATOM 552 CA ARG 35 12.819 -49.751 -0.167 1.00 25.23 ATOM 553 HA ARG 35 12.719 -49.177 0.745 1.00 71.54 ATOM 554 CB ARG 35 13.578 -48.931 -1.211 1.00 41.44 ATOM 555 HB1 ARG 35 13.238 -49.175 -2.207 1.00 38.14 ATOM 556 HB2 ARG 35 14.626 -49.190 -1.150 1.00 2.12 ATOM 557 CG ARG 35 13.431 -47.429 -1.030 1.00 4.40 ATOM 558 HG1 ARG 35 12.972 -47.213 -0.072 1.00 38.14 ATOM 559 HG2 ARG 35 12.799 -47.048 -1.819 1.00 13.15 ATOM 560 CD ARG 35 14.777 -46.724 -1.105 1.00 21.44 ATOM 561 HD1 ARG 35 14.856 -46.301 -2.089 1.00 38.14 ATOM 562 HD2 ARG 35 15.592 -47.420 -0.959 1.00 22.14 ATOM 563 NE ARG 35 14.883 -45.642 -0.130 1.00 25.45 ATOM 564 HE ARG 35 14.710 -44.735 -0.443 1.00 51.11 ATOM 565 CZ ARG 35 15.203 -45.831 1.146 1.00 34.40 ATOM 566 NH1 ARG 35 15.446 -47.054 1.598 1.00 52.11 ATOM 567 HH11 ARG 35 15.388 -47.852 1.005 1.00 15.23 ATOM 568 HH12 ARG 35 15.709 -47.183 2.554 1.00 61.44 ATOM 569 NH2 ARG 35 15.280 -44.796 1.972 1.00 34.13 ATOM 570 HH21 ARG 35 15.083 -43.871 1.639 1.00 2.02 ATOM 571 HH22 ARG 35 15.577 -44.926 2.917 1.00 74.31 ATOM 572 C ARG 35 11.424 -50.089 -0.684 1.00 44.25 ATOM 573 O ARG 35 10.419 -49.755 -0.056 1.00 44.15 ATOM 574 N LYS 36 11.370 -50.752 -1.834 1.00 63.43 ATOM 575 HN LYS 36 12.198 -50.949 -2.299 1.00 38.14 ATOM 576 CA LYS 36 10.100 -51.137 -2.437 1.00 54.45 ATOM 577 HA LYS 36 9.546 -50.235 -2.650 1.00 74.12 ATOM 578 CB LYS 36 10.341 -51.892 -3.746 1.00 74.04 ATOM 579 HB1 LYS 36 11.098 -51.389 -4.320 1.00 38.14 ATOM 580 HB2 LYS 36 9.426 -51.882 -4.312 1.00 12.04 ATOM 581 CG LYS 36 10.724 -53.348 -3.547 1.00 21.15 ATOM 582 HG1 LYS 36 10.704 -53.841 -4.507 1.00 38.14 ATOM 583 HG2 LYS 36 10.017 -53.838 -2.898 1.00 34.14 ATOM 584 CD LYS 36 12.118 -53.482 -2.955 1.00 55.35 ATOM 585 HD1 LYS 36 12.339 -54.534 -2.854 1.00 38.14 ATOM 586 HD2 LYS 36 12.161 -53.024 -1.992 1.00 10.24 ATOM 587 CE LYS 36 13.169 -52.861 -3.862 1.00 3.31 ATOM 588 HE1 LYS 36 14.139 -53.120 -3.484 1.00 38.14 ATOM 589 HE2 LYS 36 13.069 -51.791 -3.861 1.00 51.15 ATOM 590 NZ LYS 36 13.057 -53.355 -5.262 1.00 73.10 ATOM 591 HZ1 LYS 36 12.933 -54.390 -5.282 1.00 74.24 ATOM 592 HZ2 LYS 36 13.923 -53.118 -5.787 1.00 11.14 ATOM 593 HZ3 LYS 36 12.250 -52.908 -5.741 1.00 23.03 ATOM 594 C LYS 36 9.283 -52.001 -1.482 1.00 61.12 ATOM 595 O LYS 36 8.058 -52.061 -1.579 1.00 70.23 ATOM 596 N GLU 37 9.970 -52.667 -0.560 1.00 25.24 ATOM 597 HN GLU 37 10.943 -52.612 -0.532 1.00 38.14 ATOM 598 CA GLU 37 9.307 -53.527 0.413 1.00 22.42 ATOM 599 HA GLU 37 8.592 -54.150 -0.112 1.00 50.31 ATOM 600 CB GLU 37 10.328 -54.432 1.106 1.00 32.45 ATOM 601 HB1 GLU 37 9.808 -55.029 1.846 1.00 38.14 ATOM 602 HB2 GLU 37 11.062 -53.826 1.604 1.00 11.25 ATOM 603 CG GLU 37 11.051 -55.373 0.157 1.00 1.03 ATOM 604 HG1 GLU 37 11.734 -54.799 -0.440 1.00 38.14 ATOM 605 HG2 GLU 37 10.325 -55.849 -0.488 1.00 32.21 ATOM 606 CD GLU 37 11.821 -56.458 0.885 1.00 11.11 ATOM 607 OE1 GLU 37 11.342 -56.918 1.943 1.00 45.12 ATOM 608 OE2 GLU 37 12.902 -56.847 0.396 1.00 2.01 ATOM 609 C GLU 37 8.558 -52.698 1.452 1.00 5.51 ATOM 610 O GLU 37 7.387 -52.949 1.737 1.00 25.13 ATOM 611 N PHE 38 9.243 -51.707 2.015 1.00 21.40 ATOM 612 HN PHE 38 10.179 -51.551 1.743 1.00 38.14 ATOM 613 CA PHE 38 8.645 -50.841 3.024 1.00 55.24 ATOM 614 HA PHE 38 8.239 -51.465 3.809 1.00 23.53 ATOM 615 CB PHE 38 9.705 -49.920 3.629 1.00 3.55 ATOM 616 HB1 PHE 38 10.186 -49.369 2.830 1.00 38.14 ATOM 617 HB2 PHE 38 10.450 -50.527 4.128 1.00 21.33 ATOM 618 CG PHE 38 9.150 -48.934 4.618 1.00 72.41 ATOM 619 CD1 PHE 38 8.633 -47.722 4.191 1.00 10.43 ATOM 620 HD1 PHE 38 8.633 -47.487 3.142 1.00 72.20 ATOM 621 CD2 PHE 38 9.144 -49.221 5.973 1.00 31.34 ATOM 622 HD2 PHE 38 9.545 -50.163 6.321 1.00 13.42 ATOM 623 CE1 PHE 38 8.122 -46.813 5.099 1.00 60.11 ATOM 624 HE1 PHE 38 7.722 -45.871 4.754 1.00 55.42 ATOM 625 CE2 PHE 38 8.634 -48.317 6.886 1.00 52.23 ATOM 626 HE2 PHE 38 8.635 -48.554 7.940 1.00 11.43 ATOM 627 CZ PHE 38 8.121 -47.112 6.448 1.00 43.45 ATOM 628 HZ PHE 38 7.717 -46.408 7.152 1.00 71.35 ATOM 629 C PHE 38 7.514 -50.009 2.424 1.00 5.23 ATOM 630 O PHE 38 6.465 -49.829 3.043 1.00 33.32 ATOM 631 N LEU 39 7.737 -49.503 1.216 1.00 1.35 ATOM 632 HN LEU 39 8.600 -49.672 0.769 1.00 38.14 ATOM 633 CA LEU 39 6.738 -48.689 0.532 1.00 5.31 ATOM 634 HA LEU 39 6.412 -47.910 1.205 1.00 42.25 ATOM 635 CB LEU 39 7.342 -48.054 -0.722 1.00 73.13 ATOM 636 HB1 LEU 39 6.573 -47.500 -1.227 1.00 38.14 ATOM 637 HB2 LEU 39 7.671 -48.850 -1.376 1.00 4.43 ATOM 638 CG LEU 39 8.526 -47.114 -0.496 1.00 11.44 ATOM 639 HG LEU 39 9.367 -47.680 -0.140 1.00 60.55 ATOM 640 CD1 LEU 39 8.932 -46.444 -1.799 1.00 4.42 ATOM 641 HD11 LEU 39 9.671 -45.690 -1.597 1.00 12.51 ATOM 642 HD12 LEU 39 8.068 -45.990 -2.261 1.00 44.34 ATOM 643 HD13 LEU 39 9.348 -47.183 -2.467 1.00 20.41 ATOM 644 CD2 LEU 39 8.184 -46.071 0.559 1.00 44.34 ATOM 645 HD21 LEU 39 7.305 -45.519 0.254 1.00 4.12 ATOM 646 HD22 LEU 39 9.013 -45.385 0.672 1.00 50.21 ATOM 647 HD23 LEU 39 7.998 -46.545 1.502 1.00 13.15 ATOM 648 C LEU 39 5.519 -49.524 0.157 1.00 71.31 ATOM 649 O LEU 39 4.395 -49.211 0.549 1.00 53.12 ATOM 650 N ASP 40 5.749 -50.590 -0.603 1.00 3.35 ATOM 651 HN ASP 40 6.674 -50.787 -0.889 1.00 38.14 ATOM 652 CA ASP 40 4.670 -51.473 -1.028 1.00 71.11 ATOM 653 HA ASP 40 4.017 -50.902 -1.675 1.00 53.22 ATOM 654 CB ASP 40 5.233 -52.665 -1.803 1.00 63.13 ATOM 655 HB1 ASP 40 5.754 -53.332 -1.129 1.00 38.14 ATOM 656 HB2 ASP 40 5.923 -52.300 -2.547 1.00 23.51 ATOM 657 CG ASP 40 4.155 -53.448 -2.526 1.00 33.13 ATOM 658 OD1 ASP 40 4.359 -54.656 -2.766 1.00 22.21 ATOM 659 OD2 ASP 40 3.106 -52.853 -2.852 1.00 3.53 ATOM 660 C ASP 40 3.865 -51.965 0.171 1.00 2.31 ATOM 661 O ASP 40 2.637 -51.882 0.183 1.00 71.20 ATOM 662 N ASP 41 4.566 -52.477 1.177 1.00 54.10 ATOM 663 HN ASP 41 5.550 -52.517 1.109 1.00 38.14 ATOM 664 CA ASP 41 3.917 -52.982 2.381 1.00 33.22 ATOM 665 HA ASP 41 3.199 -53.738 2.087 1.00 11.32 ATOM 666 CB ASP 41 4.950 -53.608 3.319 1.00 63.01 ATOM 667 HB1 ASP 41 4.489 -53.812 4.278 1.00 38.14 ATOM 668 HB2 ASP 41 5.765 -52.919 3.464 1.00 13.34 ATOM 669 CG ASP 41 5.503 -54.914 2.783 1.00 74.13 ATOM 670 OD1 ASP 41 6.494 -55.418 3.352 1.00 13.10 ATOM 671 OD2 ASP 41 4.943 -55.433 1.794 1.00 22.14 ATOM 672 C ASP 41 3.166 -51.867 3.103 1.00 63.12 ATOM 673 O ASP 41 2.070 -52.078 3.623 1.00 12.31 ATOM 674 N LEU 42 3.764 -50.681 3.131 1.00 21.14 ATOM 675 HN LEU 42 4.650 -50.572 2.710 1.00 38.14 ATOM 676 CA LEU 42 3.153 -49.532 3.790 1.00 30.04 ATOM 677 HA LEU 42 2.995 -49.785 4.830 1.00 41.10 ATOM 678 CB LEU 42 4.084 -48.321 3.714 1.00 1.22 ATOM 679 HB1 LEU 42 4.346 -48.176 2.679 1.00 38.14 ATOM 680 HB2 LEU 42 4.985 -48.561 4.259 1.00 14.10 ATOM 681 CG LEU 42 3.525 -47.009 4.265 1.00 0.44 ATOM 682 HG LEU 42 2.478 -46.927 4.039 1.00 64.42 ATOM 683 CD1 LEU 42 3.670 -46.960 5.778 1.00 25.34 ATOM 684 HD11 LEU 42 3.143 -46.099 6.156 1.00 71.31 ATOM 685 HD12 LEU 42 4.715 -46.893 6.047 1.00 2.15 ATOM 686 HD13 LEU 42 3.245 -47.854 6.215 1.00 1.22 ATOM 687 CD2 LEU 42 4.223 -45.819 3.622 1.00 24.43 ATOM 688 HD21 LEU 42 4.099 -45.862 2.553 1.00 51.44 ATOM 689 HD22 LEU 42 5.278 -45.841 3.860 1.00 61.41 ATOM 690 HD23 LEU 42 3.790 -44.900 3.994 1.00 15.43 ATOM 691 C LEU 42 1.807 -49.194 3.158 1.00 50.44 ATOM 692 O LEU 42 0.800 -49.053 3.852 1.00 22.33 ATOM 693 N PHE 43 1.796 -49.066 1.835 1.00 43.11 ATOM 694 HN PHE 43 2.632 -49.222 1.336 1.00 38.14 ATOM 695 CA PHE 43 0.574 -48.745 1.108 1.00 74.44 ATOM 696 HA PHE 43 0.167 -47.835 1.509 1.00 22.33 ATOM 697 CB PHE 43 0.879 -48.530 -0.376 1.00 41.21 ATOM 698 HB1 PHE 43 0.024 -48.064 -0.844 1.00 38.14 ATOM 699 HB2 PHE 43 1.060 -49.491 -0.847 1.00 45.15 ATOM 700 CG PHE 43 2.073 -47.652 -0.621 1.00 0.01 ATOM 701 CD1 PHE 43 2.298 -46.531 0.163 1.00 72.55 ATOM 702 HD1 PHE 43 1.624 -46.292 0.964 1.00 60.34 ATOM 703 CD2 PHE 43 2.971 -47.948 -1.634 1.00 12.40 ATOM 704 HD2 PHE 43 2.809 -48.819 -2.254 1.00 61.53 ATOM 705 CE1 PHE 43 3.395 -45.722 -0.061 1.00 42.33 ATOM 706 HE1 PHE 43 3.559 -44.851 0.556 1.00 74.54 ATOM 707 CE2 PHE 43 4.070 -47.142 -1.862 1.00 43.42 ATOM 708 HE2 PHE 43 4.762 -47.384 -2.655 1.00 24.10 ATOM 709 CZ PHE 43 4.283 -46.028 -1.074 1.00 42.30 ATOM 710 HZ PHE 43 5.141 -45.396 -1.250 1.00 21.40 ATOM 711 C PHE 43 -0.462 -49.854 1.269 1.00 20.33 ATOM 712 O PHE 43 -1.619 -49.595 1.601 1.00 5.24 ATOM 713 N SER 44 -0.038 -51.091 1.031 1.00 24.34 ATOM 714 HN SER 44 0.903 -51.237 0.768 1.00 38.14 ATOM 715 CA SER 44 -0.928 -52.240 1.146 1.00 32.31 ATOM 716 HA SER 44 -1.765 -52.087 0.478 1.00 13.10 ATOM 717 CB SER 44 -0.199 -53.521 0.735 1.00 40.45 ATOM 718 HB1 SER 44 -0.783 -54.387 1.022 1.00 38.14 ATOM 719 HB2 SER 44 0.762 -53.559 1.224 1.00 1.02 ATOM 720 OG SER 44 0.004 -53.564 -0.667 1.00 52.13 ATOM 721 HG SER 44 -0.803 -53.851 -1.102 1.00 64.52 ATOM 722 C SER 44 -1.457 -52.378 2.571 1.00 43.04 ATOM 723 O SER 44 -2.552 -52.895 2.792 1.00 62.54 ATOM 724 N PHE 45 -0.670 -51.911 3.534 1.00 10.15 ATOM 725 HN PHE 45 0.208 -51.527 3.309 1.00 38.14 ATOM 726 CA PHE 45 -1.057 -51.982 4.939 1.00 62.23 ATOM 727 HA PHE 45 -1.430 -52.979 5.141 1.00 43.31 ATOM 728 CB PHE 45 0.155 -51.724 5.837 1.00 14.10 ATOM 729 HB1 PHE 45 0.705 -50.877 5.454 1.00 38.14 ATOM 730 HB2 PHE 45 0.798 -52.594 5.811 1.00 32.15 ATOM 731 CG PHE 45 -0.208 -51.450 7.269 1.00 72.14 ATOM 732 CD1 PHE 45 -0.496 -52.492 8.136 1.00 70.05 ATOM 733 HD1 PHE 45 -0.458 -53.512 7.778 1.00 43.04 ATOM 734 CD2 PHE 45 -0.261 -50.151 7.748 1.00 62.15 ATOM 735 HD2 PHE 45 -0.040 -49.327 7.083 1.00 51.52 ATOM 736 CE1 PHE 45 -0.831 -52.243 9.453 1.00 1.30 ATOM 737 HE1 PHE 45 -1.057 -53.059 10.085 1.00 64.31 ATOM 738 CE2 PHE 45 -0.595 -49.896 9.064 1.00 3.43 ATOM 739 HE2 PHE 45 -0.635 -48.890 9.405 1.00 74.25 ATOM 740 CZ PHE 45 -0.879 -50.943 9.918 1.00 31.03 ATOM 741 HZ PHE 45 -1.152 -50.741 10.934 1.00 2.31 ATOM 742 C PHE 45 -2.160 -50.975 5.251 1.00 44.11 ATOM 743 O PHE 45 -3.247 -51.346 5.692 1.00 3.13 ATOM 744 N MET 46 -1.870 -49.699 5.019 1.00 51.23 ATOM 745 HN MET 46 -0.966 -49.471 4.701 1.00 38.14 ATOM 746 CA MET 46 -2.837 -48.637 5.274 1.00 31.54 ATOM 747 HA MET 46 -3.141 -48.699 6.311 1.00 31.32 ATOM 748 CB MET 46 -2.200 -47.268 5.030 1.00 30.11 ATOM 749 HB1 MET 46 -1.422 -47.135 5.769 1.00 38.14 ATOM 750 HB2 MET 46 -2.930 -46.501 5.164 1.00 20.34 ATOM 751 CG MET 46 -1.587 -47.121 3.647 1.00 54.03 ATOM 752 HG1 MET 46 -2.342 -46.779 2.964 1.00 38.14 ATOM 753 HG2 MET 46 -1.214 -48.059 3.304 1.00 12.35 ATOM 754 SD MET 46 -0.220 -45.946 3.614 1.00 71.00 ATOM 755 CE MET 46 -1.028 -44.469 4.227 1.00 61.43 ATOM 756 HE1 MET 46 -2.059 -44.465 3.925 1.00 32.43 ATOM 757 HE2 MET 46 -0.549 -43.616 3.816 1.00 62.33 ATOM 758 HE3 MET 46 -0.970 -44.443 5.299 1.00 61.33 ATOM 759 C MET 46 -4.071 -48.802 4.392 1.00 3.14 ATOM 760 O MET 46 -5.201 -48.702 4.868 1.00 74.13 ATOM 761 N GLN 47 -3.845 -49.054 3.107 1.00 4.12 ATOM 762 HN GLN 47 -2.926 -49.164 2.786 1.00 38.14 ATOM 763 CA GLN 47 -4.939 -49.231 2.160 1.00 42.12 ATOM 764 HA GLN 47 -5.445 -48.285 2.054 1.00 62.12 ATOM 765 CB GLN 47 -4.396 -49.659 0.795 1.00 21.04 ATOM 766 HB1 GLN 47 -3.722 -50.490 0.940 1.00 38.14 ATOM 767 HB2 GLN 47 -3.846 -48.833 0.368 1.00 12.04 ATOM 768 CG GLN 47 -5.476 -50.104 -0.177 1.00 54.41 ATOM 769 HG1 GLN 47 -6.404 -49.595 0.058 1.00 38.14 ATOM 770 HG2 GLN 47 -5.618 -51.169 -0.069 1.00 23.31 ATOM 771 CD GLN 47 -5.117 -49.813 -1.621 1.00 73.41 ATOM 772 OE1 GLN 47 -3.968 -49.975 -2.031 1.00 63.15 ATOM 773 NE2 GLN 47 -6.102 -49.382 -2.401 1.00 63.31 ATOM 774 HE21 GLN 47 -7.003 -49.272 -2.021 1.00 45.11 ATOM 775 HE22 GLN 47 -5.889 -49.188 -3.338 1.00 63.33 ATOM 776 C GLN 47 -5.938 -50.264 2.670 1.00 53.15 ATOM 777 O GLN 47 -7.136 -50.171 2.399 1.00 62.42 ATOM 778 N LYS 48 -5.439 -51.249 3.409 1.00 41.52 ATOM 779 HN LYS 48 -4.469 -51.301 3.568 1.00 38.14 ATOM 780 CA LYS 48 -6.287 -52.300 3.958 1.00 52.40 ATOM 781 HA LYS 48 -6.999 -52.600 3.196 1.00 34.25 ATOM 782 CB LYS 48 -5.441 -53.512 4.354 1.00 1.42 ATOM 783 HB1 LYS 48 -5.995 -54.125 5.056 1.00 38.14 ATOM 784 HB2 LYS 48 -4.541 -53.164 4.836 1.00 61.50 ATOM 785 CG LYS 48 -5.056 -54.395 3.180 1.00 52.11 ATOM 786 HG1 LYS 48 -4.756 -53.769 2.348 1.00 38.14 ATOM 787 HG2 LYS 48 -5.916 -54.982 2.893 1.00 41.12 ATOM 788 CD LYS 48 -3.921 -55.338 3.540 1.00 30.43 ATOM 789 HD1 LYS 48 -4.318 -56.138 4.147 1.00 38.14 ATOM 790 HD2 LYS 48 -3.166 -54.804 4.102 1.00 15.22 ATOM 791 CE LYS 48 -3.281 -55.940 2.299 1.00 61.04 ATOM 792 HE1 LYS 48 -3.306 -55.220 1.490 1.00 38.14 ATOM 793 HE2 LYS 48 -3.840 -56.818 2.013 1.00 54.52 ATOM 794 NZ LYS 48 -1.864 -56.331 2.539 1.00 73.30 ATOM 795 HZ1 LYS 48 -1.812 -57.064 3.277 1.00 65.40 ATOM 796 HZ2 LYS 48 -1.306 -55.507 2.845 1.00 52.04 ATOM 797 HZ3 LYS 48 -1.447 -56.708 1.664 1.00 61.33 ATOM 798 C LYS 48 -7.067 -51.793 5.167 1.00 23.44 ATOM 799 O LYS 48 -8.197 -52.216 5.410 1.00 54.41 ATOM 800 N ARG 49 -6.456 -50.886 5.922 1.00 43.11 ATOM 801 HN ARG 49 -5.545 -50.602 5.698 1.00 38.14 ATOM 802 CA ARG 49 -7.093 -50.322 7.106 1.00 71.22 ATOM 803 HA ARG 49 -7.575 -51.124 7.652 1.00 14.54 ATOM 804 CB ARG 49 -6.047 -49.675 8.015 1.00 21.12 ATOM 805 HB1 ARG 49 -5.068 -50.075 7.776 1.00 38.14 ATOM 806 HB2 ARG 49 -6.286 -49.931 9.034 1.00 53.24 ATOM 807 CG ARG 49 -5.996 -48.160 7.903 1.00 20.22 ATOM 808 HG1 ARG 49 -6.896 -47.742 8.336 1.00 38.14 ATOM 809 HG2 ARG 49 -5.935 -47.894 6.876 1.00 32.41 ATOM 810 CD ARG 49 -4.792 -47.588 8.635 1.00 51.41 ATOM 811 HD1 ARG 49 -4.128 -47.147 7.913 1.00 38.14 ATOM 812 HD2 ARG 49 -4.253 -48.378 9.147 1.00 52.33 ATOM 813 NE ARG 49 -5.176 -46.561 9.600 1.00 44.21 ATOM 814 HE ARG 49 -5.069 -45.623 9.327 1.00 24.41 ATOM 815 CZ ARG 49 -5.655 -46.831 10.809 1.00 3.11 ATOM 816 NH1 ARG 49 -5.808 -48.089 11.199 1.00 2.34 ATOM 817 HH11 ARG 49 -5.571 -48.850 10.611 1.00 64.14 ATOM 818 HH12 ARG 49 -6.173 -48.280 12.113 1.00 63.41 ATOM 819 NH2 ARG 49 -5.981 -45.842 11.631 1.00 53.41 ATOM 820 HH21 ARG 49 -5.867 -44.889 11.343 1.00 30.12 ATOM 821 HH22 ARG 49 -6.343 -46.043 12.544 1.00 1.24 ATOM 822 C ARG 49 -8.150 -49.293 6.716 1.00 32.12 ATOM 823 O ARG 49 -8.988 -48.909 7.531 1.00 21.54 ATOM 824 N GLY 50 -8.104 -48.850 5.463 1.00 1.45 ATOM 825 HN GLY 50 -7.416 -49.163 4.844 1.00 38.14 ATOM 826 CA GLY 50 -9.062 -47.869 4.988 1.00 40.21 ATOM 827 HA1 GLY 50 -9.882 -47.761 5.688 1.00 38.14 ATOM 828 HA2 GLY 50 -9.463 -48.216 4.048 1.00 21.30 ATOM 829 C GLY 50 -8.435 -46.508 4.762 1.00 45.41 ATOM 830 O GLY 50 -9.050 -45.477 5.039 1.00 70.44 ATOM 831 N THR 51 -7.204 -46.501 4.258 1.00 11.04 ATOM 832 HN THR 51 -6.759 -47.351 4.042 1.00 38.14 ATOM 833 CA THR 51 -6.491 -45.257 3.998 1.00 15.41 ATOM 834 HA THR 51 -7.171 -44.559 3.527 1.00 65.43 ATOM 835 CB THR 51 -5.997 -44.608 5.305 1.00 35.10 ATOM 836 HB THR 51 -6.857 -44.307 5.886 1.00 61.53 ATOM 837 OG1 THR 51 -5.205 -43.453 5.010 1.00 43.25 ATOM 838 HG1 THR 51 -5.780 -42.707 4.823 1.00 55.41 ATOM 839 CG2 THR 51 -5.179 -45.595 6.123 1.00 21.33 ATOM 840 HG21 THR 51 -5.074 -46.533 5.616 1.00 21.33 ATOM 841 HG22 THR 51 -5.679 -45.736 7.057 1.00 62.01 ATOM 842 HG23 THR 51 -4.199 -45.179 6.314 1.00 12.25 ATOM 843 C THR 51 -5.299 -45.488 3.077 1.00 73.13 ATOM 844 O THR 51 -4.142 -45.441 3.495 1.00 14.11 ATOM 845 N PRO 52 -5.585 -45.744 1.791 1.00 3.24 ATOM 846 CA PRO 52 -4.548 -45.986 0.783 1.00 33.55 ATOM 847 HA PRO 52 -3.871 -46.768 1.092 1.00 50.23 ATOM 848 CB PRO 52 -5.344 -46.447 -0.440 1.00 54.53 ATOM 849 HB1 PRO 52 -5.404 -47.503 -0.439 1.00 38.14 ATOM 850 HB2 PRO 52 -4.884 -46.115 -1.361 1.00 51.32 ATOM 851 CG PRO 52 -6.696 -45.846 -0.260 1.00 70.45 ATOM 852 HG1 PRO 52 -7.439 -46.459 -0.750 1.00 38.14 ATOM 853 HG2 PRO 52 -6.709 -44.844 -0.663 1.00 71.50 ATOM 854 CD PRO 52 -6.941 -45.815 1.223 1.00 72.22 ATOM 855 HD1 PRO 52 -7.447 -46.714 1.542 1.00 38.14 ATOM 856 HD2 PRO 52 -7.520 -44.942 1.481 1.00 75.04 ATOM 857 C PRO 52 -3.750 -44.728 0.458 1.00 75.51 ATOM 858 O PRO 52 -3.931 -43.686 1.088 1.00 23.41 ATOM 859 N VAL 53 -2.868 -44.832 -0.531 1.00 21.23 ATOM 860 HN VAL 53 -2.756 -45.689 -1.002 1.00 38.14 ATOM 861 CA VAL 53 -2.043 -43.702 -0.941 1.00 73.01 ATOM 862 HA VAL 53 -2.233 -42.860 -0.280 1.00 2.53 ATOM 863 CB VAL 53 -0.543 -44.038 -0.847 1.00 71.30 ATOM 864 HB VAL 53 -0.336 -44.875 -1.501 1.00 51.53 ATOM 865 CG1 VAL 53 0.299 -42.857 -1.306 1.00 33.35 ATOM 866 HG11 VAL 53 -0.046 -41.951 -0.846 1.00 51.22 ATOM 867 HG12 VAL 53 0.234 -42.760 -2.379 1.00 1.43 ATOM 868 HG13 VAL 53 1.335 -43.019 -1.036 1.00 51.50 ATOM 869 CG2 VAL 53 -0.177 -44.446 0.572 1.00 1.41 ATOM 870 HG21 VAL 53 -0.776 -43.903 1.283 1.00 75.31 ATOM 871 HG22 VAL 53 0.870 -44.250 0.765 1.00 42.11 ATOM 872 HG23 VAL 53 -0.367 -45.502 0.689 1.00 34.21 ATOM 873 C VAL 53 -2.368 -43.274 -2.368 1.00 14.12 ATOM 874 O VAL 53 -1.821 -43.814 -3.328 1.00 53.44 ATOM 875 N ASN 54 -3.263 -42.300 -2.498 1.00 41.50 ATOM 876 HN ASN 54 -3.661 -41.899 -1.688 1.00 38.14 ATOM 877 CA ASN 54 -3.662 -41.798 -3.808 1.00 64.22 ATOM 878 HA ASN 54 -3.845 -42.651 -4.453 1.00 24.14 ATOM 879 CB ASN 54 -4.946 -40.975 -3.693 1.00 75.52 ATOM 880 HB1 ASN 54 -4.722 -39.994 -3.293 1.00 38.14 ATOM 881 HB2 ASN 54 -5.628 -41.480 -3.023 1.00 3.21 ATOM 882 CG ASN 54 -5.644 -40.803 -5.029 1.00 11.14 ATOM 883 OD1 ASN 54 -5.105 -41.164 -6.075 1.00 24.35 ATOM 884 ND2 ASN 54 -6.850 -40.248 -4.999 1.00 11.15 ATOM 885 HD21 ASN 54 -7.232 -39.978 -4.133 1.00 34.52 ATOM 886 HD22 ASN 54 -7.318 -40.128 -5.852 1.00 21.15 ATOM 887 C ASN 54 -2.555 -40.949 -4.426 1.00 25.32 ATOM 888 O ASN 54 -2.223 -41.104 -5.601 1.00 45.32 ATOM 889 N ARG 55 -1.987 -40.053 -3.625 1.00 61.40 ATOM 890 HN ARG 55 -2.306 -39.955 -2.697 1.00 38.14 ATOM 891 CA ARG 55 -0.918 -39.180 -4.093 1.00 3.43 ATOM 892 HA ARG 55 -0.444 -39.630 -4.957 1.00 51.20 ATOM 893 CB ARG 55 -1.484 -37.818 -4.499 1.00 1.33 ATOM 894 HB1 ARG 55 -0.702 -37.247 -4.980 1.00 38.14 ATOM 895 HB2 ARG 55 -1.797 -37.298 -3.605 1.00 43.22 ATOM 896 CG ARG 55 -2.663 -37.909 -5.453 1.00 54.50 ATOM 897 HG1 ARG 55 -3.425 -38.539 -5.025 1.00 38.14 ATOM 898 HG2 ARG 55 -2.330 -38.327 -6.389 1.00 2.51 ATOM 899 CD ARG 55 -3.276 -36.541 -5.714 1.00 23.13 ATOM 900 HD1 ARG 55 -4.158 -36.666 -6.326 1.00 38.14 ATOM 901 HD2 ARG 55 -2.549 -35.946 -6.248 1.00 1.14 ATOM 902 NE ARG 55 -3.645 -35.862 -4.475 1.00 13.21 ATOM 903 HE ARG 55 -3.705 -36.400 -3.652 1.00 25.22 ATOM 904 CZ ARG 55 -3.921 -34.564 -4.402 1.00 71.43 ATOM 905 NH1 ARG 55 -3.869 -33.810 -5.492 1.00 35.33 ATOM 906 HH11 ARG 55 -3.628 -34.191 -6.381 1.00 51.13 ATOM 907 HH12 ARG 55 -4.076 -32.832 -5.425 1.00 43.25 ATOM 908 NH2 ARG 55 -4.250 -34.019 -3.238 1.00 42.23 ATOM 909 HH21 ARG 55 -4.291 -34.584 -2.411 1.00 21.20 ATOM 910 HH22 ARG 55 -4.458 -33.040 -3.180 1.00 1.54 ATOM 911 C ARG 55 0.147 -38.999 -3.015 1.00 3.21 ATOM 912 O ARG 55 -0.069 -39.341 -1.852 1.00 4.42 ATOM 913 N ILE 56 1.296 -38.460 -3.410 1.00 31.31 ATOM 914 HN ILE 56 1.415 -38.198 -4.352 1.00 38.14 ATOM 915 CA ILE 56 2.393 -38.234 -2.478 1.00 4.12 ATOM 916 HA ILE 56 2.162 -38.761 -1.564 1.00 2.44 ATOM 917 CB ILE 56 3.717 -38.807 -3.017 1.00 44.43 ATOM 918 HB ILE 56 3.958 -38.289 -3.938 1.00 63.44 ATOM 919 CG1 ILE 56 3.573 -40.303 -3.301 1.00 71.13 ATOM 920 HG11 ILE 56 2.604 -40.507 -3.736 1.00 38.14 ATOM 921 HG12 ILE 56 3.662 -40.863 -2.380 1.00 13.45 ATOM 922 CG2 ILE 56 4.845 -38.556 -2.027 1.00 62.33 ATOM 923 HG21 ILE 56 4.979 -37.499 -1.860 1.00 14.34 ATOM 924 HG22 ILE 56 5.761 -38.964 -2.427 1.00 42.54 ATOM 925 HG23 ILE 56 4.627 -39.047 -1.093 1.00 2.21 ATOM 926 CD1 ILE 56 4.608 -40.838 -4.266 1.00 2.30 ATOM 927 HD11 ILE 56 5.597 -40.570 -3.932 1.00 74.03 ATOM 928 HD12 ILE 56 4.418 -40.396 -5.220 1.00 34.34 ATOM 929 HD13 ILE 56 4.520 -41.911 -4.339 1.00 0.22 ATOM 930 C ILE 56 2.575 -36.747 -2.192 1.00 55.14 ATOM 931 O ILE 56 2.596 -35.914 -3.098 1.00 55.45 ATOM 932 N PRO 57 2.710 -36.404 -0.903 1.00 24.22 ATOM 933 CA PRO 57 2.895 -35.017 -0.468 1.00 11.43 ATOM 934 HA PRO 57 2.111 -34.378 -0.855 1.00 25.33 ATOM 935 CB PRO 57 2.771 -35.103 1.056 1.00 52.05 ATOM 936 HB1 PRO 57 1.750 -34.910 1.328 1.00 38.14 ATOM 937 HB2 PRO 57 3.419 -34.383 1.541 1.00 61.12 ATOM 938 CG PRO 57 3.155 -36.503 1.388 1.00 31.41 ATOM 939 HG1 PRO 57 2.661 -36.814 2.297 1.00 38.14 ATOM 940 HG2 PRO 57 4.227 -36.573 1.500 1.00 40.53 ATOM 941 CD PRO 57 2.695 -37.345 0.230 1.00 61.11 ATOM 942 HD1 PRO 57 1.699 -37.712 0.404 1.00 38.14 ATOM 943 HD2 PRO 57 3.369 -38.159 0.088 1.00 74.43 ATOM 944 C PRO 57 4.260 -34.463 -0.860 1.00 42.53 ATOM 945 O PRO 57 5.294 -35.052 -0.544 1.00 72.55 ATOM 946 N ILE 58 4.257 -33.327 -1.550 1.00 14.44 ATOM 947 HN ILE 58 3.400 -32.890 -1.768 1.00 38.14 ATOM 948 CA ILE 58 5.496 -32.693 -1.983 1.00 55.04 ATOM 949 HA ILE 58 6.287 -33.435 -1.985 1.00 70.54 ATOM 950 CB ILE 58 5.369 -32.128 -3.411 1.00 23.33 ATOM 951 HB ILE 58 4.578 -31.392 -3.419 1.00 44.14 ATOM 952 CG1 ILE 58 5.018 -33.245 -4.395 1.00 73.44 ATOM 953 HG11 ILE 58 4.980 -32.835 -5.390 1.00 38.14 ATOM 954 HG12 ILE 58 4.053 -33.656 -4.141 1.00 71.04 ATOM 955 CG2 ILE 58 6.661 -31.438 -3.823 1.00 72.14 ATOM 956 HG21 ILE 58 7.500 -32.083 -3.633 1.00 10.12 ATOM 957 HG22 ILE 58 6.781 -30.520 -3.269 1.00 14.31 ATOM 958 HG23 ILE 58 6.627 -31.202 -4.879 1.00 73.35 ATOM 959 CD1 ILE 58 6.019 -34.379 -4.405 1.00 73.33 ATOM 960 HD11 ILE 58 7.024 -33.999 -4.499 1.00 34.02 ATOM 961 HD12 ILE 58 5.808 -35.026 -5.244 1.00 12.34 ATOM 962 HD13 ILE 58 5.928 -34.947 -3.492 1.00 62.22 ATOM 963 C ILE 58 5.898 -31.567 -1.037 1.00 72.00 ATOM 964 O ILE 58 5.162 -30.596 -0.863 1.00 72.20 ATOM 965 N MET 59 7.072 -31.704 -0.429 1.00 53.51 ATOM 966 HN MET 59 7.626 -32.500 -0.601 1.00 38.14 ATOM 967 CA MET 59 7.574 -30.696 0.498 1.00 54.42 ATOM 968 HA MET 59 6.846 -29.895 0.579 1.00 1.21 ATOM 969 CB MET 59 7.770 -31.303 1.888 1.00 65.31 ATOM 970 HB1 MET 59 8.522 -32.078 1.823 1.00 38.14 ATOM 971 HB2 MET 59 6.841 -31.759 2.203 1.00 31.45 ATOM 972 CG MET 59 8.224 -30.296 2.933 1.00 71.54 ATOM 973 HG1 MET 59 8.810 -29.514 2.484 1.00 38.14 ATOM 974 HG2 MET 59 8.845 -30.817 3.646 1.00 71.45 ATOM 975 SD MET 59 6.844 -29.538 3.812 1.00 60.54 ATOM 976 CE MET 59 6.992 -30.323 5.415 1.00 4.41 ATOM 977 HE1 MET 59 7.831 -29.899 5.946 1.00 35.11 ATOM 978 HE2 MET 59 7.150 -31.383 5.282 1.00 75.10 ATOM 979 HE3 MET 59 6.088 -30.163 5.981 1.00 12.22 ATOM 980 C MET 59 8.888 -30.104 -0.002 1.00 53.20 ATOM 981 O MET 59 9.757 -30.824 -0.492 1.00 21.24 ATOM 982 N ALA 60 9.025 -28.788 0.125 1.00 60.04 ATOM 983 HN ALA 60 8.301 -28.255 0.523 1.00 38.14 ATOM 984 CA ALA 60 10.234 -28.101 -0.313 1.00 14.53 ATOM 985 HA ALA 60 10.103 -27.045 -0.124 1.00 11.54 ATOM 986 CB ALA 60 11.434 -28.580 0.490 1.00 34.43 ATOM 987 HB1 ALA 60 12.311 -28.047 0.164 1.00 45.14 ATOM 988 HB2 ALA 60 11.585 -29.635 0.344 1.00 74.55 ATOM 989 HB3 ALA 60 11.262 -28.387 1.531 1.00 20.25 ATOM 990 C ALA 60 10.475 -28.309 -1.804 1.00 31.21 ATOM 991 O ALA 60 11.618 -28.406 -2.251 1.00 51.22 ATOM 992 N LYS 61 9.391 -28.379 -2.570 1.00 3.33 ATOM 993 HN LYS 61 8.497 -28.280 -2.175 1.00 38.14 ATOM 994 CA LYS 61 9.484 -28.576 -4.011 1.00 41.45 ATOM 995 HA LYS 61 8.485 -28.545 -4.416 1.00 61.43 ATOM 996 CB LYS 61 10.319 -27.461 -4.646 1.00 64.43 ATOM 997 HB1 LYS 61 10.163 -27.480 -5.716 1.00 38.14 ATOM 998 HB2 LYS 61 11.368 -27.632 -4.449 1.00 53.04 ATOM 999 CG LYS 61 9.969 -26.074 -4.138 1.00 53.44 ATOM 1000 HG1 LYS 61 10.675 -25.372 -4.551 1.00 38.14 ATOM 1001 HG2 LYS 61 10.048 -26.047 -3.064 1.00 51.34 ATOM 1002 CD LYS 61 8.556 -25.676 -4.532 1.00 71.31 ATOM 1003 HD1 LYS 61 8.206 -24.934 -3.829 1.00 38.14 ATOM 1004 HD2 LYS 61 7.892 -26.525 -4.503 1.00 52.23 ATOM 1005 CE LYS 61 8.516 -25.067 -5.925 1.00 60.12 ATOM 1006 HE1 LYS 61 7.487 -24.892 -6.190 1.00 38.14 ATOM 1007 HE2 LYS 61 8.957 -25.755 -6.632 1.00 30.31 ATOM 1008 NZ LYS 61 9.244 -23.770 -5.984 1.00 44.43 ATOM 1009 HZ1 LYS 61 9.035 -23.291 -6.883 1.00 34.35 ATOM 1010 HZ2 LYS 61 10.268 -23.925 -5.927 1.00 45.42 ATOM 1011 HZ3 LYS 61 8.953 -23.146 -5.201 1.00 40.53 ATOM 1012 C LYS 61 10.098 -29.934 -4.337 1.00 15.32 ATOM 1013 O LYS 61 10.548 -30.168 -5.458 1.00 20.02 ATOM 1014 N GLN 62 10.110 -30.824 -3.350 1.00 72.12 ATOM 1015 HN GLN 62 9.697 -30.621 -2.493 1.00 38.14 ATOM 1016 CA GLN 62 10.667 -32.159 -3.533 1.00 44.23 ATOM 1017 HA GLN 62 10.711 -32.381 -4.594 1.00 44.12 ATOM 1018 CB GLN 62 12.086 -32.224 -2.965 1.00 62.13 ATOM 1019 HB1 GLN 62 12.661 -31.404 -3.371 1.00 38.14 ATOM 1020 HB2 GLN 62 12.537 -33.157 -3.278 1.00 2.34 ATOM 1021 CG GLN 62 12.139 -32.140 -1.448 1.00 52.54 ATOM 1022 HG1 GLN 62 11.392 -32.778 -1.003 1.00 38.14 ATOM 1023 HG2 GLN 62 11.953 -31.120 -1.166 1.00 51.34 ATOM 1024 CD GLN 62 13.493 -32.529 -0.889 1.00 34.33 ATOM 1025 OE1 GLN 62 14.409 -31.710 -0.822 1.00 42.24 ATOM 1026 NE2 GLN 62 13.626 -33.786 -0.482 1.00 33.41 ATOM 1027 HE21 GLN 62 12.859 -34.398 -0.558 1.00 52.12 ATOM 1028 HE22 GLN 62 14.494 -34.057 -0.117 1.00 1.43 ATOM 1029 C GLN 62 9.790 -33.212 -2.864 1.00 42.22 ATOM 1030 O GLN 62 9.122 -32.936 -1.868 1.00 13.01 ATOM 1031 N VAL 63 9.797 -34.420 -3.419 1.00 11.12 ATOM 1032 HN VAL 63 10.323 -34.559 -4.238 1.00 38.14 ATOM 1033 CA VAL 63 9.002 -35.515 -2.875 1.00 44.04 ATOM 1034 HA VAL 63 7.972 -35.208 -2.875 1.00 51.23 ATOM 1035 CB VAL 63 9.127 -36.782 -3.742 1.00 31.44 ATOM 1036 HB VAL 63 8.724 -36.563 -4.719 1.00 23.50 ATOM 1037 CG1 VAL 63 10.587 -37.176 -3.906 1.00 0.04 ATOM 1038 HG11 VAL 63 11.001 -37.484 -2.960 1.00 43.53 ATOM 1039 HG12 VAL 63 11.162 -36.354 -4.298 1.00 33.25 ATOM 1040 HG13 VAL 63 10.650 -38.003 -4.599 1.00 35.30 ATOM 1041 CG2 VAL 63 8.324 -37.923 -3.135 1.00 13.01 ATOM 1042 HG21 VAL 63 8.740 -38.213 -2.182 1.00 14.33 ATOM 1043 HG22 VAL 63 8.348 -38.774 -3.796 1.00 32.24 ATOM 1044 HG23 VAL 63 7.300 -37.609 -2.998 1.00 5.13 ATOM 1045 C VAL 63 9.424 -35.845 -1.448 1.00 45.41 ATOM 1046 O VAL 63 10.607 -36.052 -1.171 1.00 35.33 ATOM 1047 N LEU 64 8.451 -35.892 -0.545 1.00 42.22 ATOM 1048 HN LEU 64 7.520 -35.726 -0.828 1.00 38.14 ATOM 1049 CA LEU 64 8.721 -36.197 0.856 1.00 60.25 ATOM 1050 HA LEU 64 9.544 -35.569 1.167 1.00 62.02 ATOM 1051 CB LEU 64 7.496 -35.875 1.713 1.00 21.03 ATOM 1052 HB1 LEU 64 6.707 -36.574 1.461 1.00 38.14 ATOM 1053 HB2 LEU 64 7.162 -34.880 1.445 1.00 23.00 ATOM 1054 CG LEU 64 7.708 -35.914 3.227 1.00 32.12 ATOM 1055 HG LEU 64 7.953 -36.924 3.521 1.00 4.50 ATOM 1056 CD1 LEU 64 8.866 -35.014 3.628 1.00 50.54 ATOM 1057 HD11 LEU 64 8.713 -34.018 3.233 1.00 55.32 ATOM 1058 HD12 LEU 64 9.790 -35.417 3.245 1.00 15.11 ATOM 1059 HD13 LEU 64 8.930 -34.962 4.707 1.00 51.52 ATOM 1060 CD2 LEU 64 6.435 -35.505 3.954 1.00 3.33 ATOM 1061 HD21 LEU 64 6.614 -35.455 5.016 1.00 51.32 ATOM 1062 HD22 LEU 64 5.661 -36.231 3.758 1.00 32.54 ATOM 1063 HD23 LEU 64 6.112 -34.534 3.603 1.00 52.55 ATOM 1064 C LEU 64 9.106 -37.663 1.029 1.00 42.12 ATOM 1065 O LEU 64 8.282 -38.558 0.840 1.00 65.15 ATOM 1066 N ASP 65 10.362 -37.900 1.392 1.00 72.23 ATOM 1067 HN ASP 65 10.976 -37.140 1.534 1.00 38.14 ATOM 1068 CA ASP 65 10.856 -39.257 1.594 1.00 33.32 ATOM 1069 HA ASP 65 10.623 -39.826 0.700 1.00 52.41 ATOM 1070 CB ASP 65 12.371 -39.246 1.804 1.00 53.53 ATOM 1071 HB1 ASP 65 12.611 -39.145 2.847 1.00 38.14 ATOM 1072 HB2 ASP 65 12.790 -38.400 1.274 1.00 75.54 ATOM 1073 CG ASP 65 13.039 -40.497 1.270 1.00 72.24 ATOM 1074 OD1 ASP 65 13.994 -40.368 0.475 1.00 55.43 ATOM 1075 OD2 ASP 65 12.607 -41.607 1.647 1.00 5.50 ATOM 1076 C ASP 65 10.170 -39.913 2.789 1.00 53.42 ATOM 1077 O ASP 65 10.624 -39.785 3.926 1.00 3.14 ATOM 1078 N LEU 66 9.073 -40.613 2.523 1.00 32.32 ATOM 1079 HN LEU 66 8.758 -40.679 1.589 1.00 38.14 ATOM 1080 CA LEU 66 8.322 -41.288 3.577 1.00 65.55 ATOM 1081 HA LEU 66 7.993 -40.545 4.283 1.00 33.51 ATOM 1082 CB LEU 66 7.109 -42.008 2.985 1.00 65.34 ATOM 1083 HB1 LEU 66 6.685 -42.650 3.751 1.00 38.14 ATOM 1084 HB2 LEU 66 7.459 -42.633 2.175 1.00 3.52 ATOM 1085 CG LEU 66 5.992 -41.112 2.450 1.00 42.14 ATOM 1086 HG LEU 66 6.375 -40.523 1.629 1.00 73.22 ATOM 1087 CD1 LEU 66 4.838 -41.952 1.926 1.00 61.42 ATOM 1088 HD11 LEU 66 4.427 -42.550 2.728 1.00 22.30 ATOM 1089 HD12 LEU 66 5.192 -42.604 1.139 1.00 34.23 ATOM 1090 HD13 LEU 66 4.068 -41.304 1.530 1.00 60.40 ATOM 1091 CD2 LEU 66 5.511 -40.157 3.532 1.00 55.42 ATOM 1092 HD21 LEU 66 5.235 -40.713 4.418 1.00 2.54 ATOM 1093 HD22 LEU 66 4.650 -39.606 3.175 1.00 0.52 ATOM 1094 HD23 LEU 66 6.294 -39.457 3.775 1.00 31.12 ATOM 1095 C LEU 66 9.206 -42.284 4.321 1.00 35.44 ATOM 1096 O LEU 66 9.144 -42.389 5.547 1.00 60.44 ATOM 1097 N PHE 67 10.028 -43.012 3.574 1.00 63.43 ATOM 1098 HN PHE 67 10.024 -42.897 2.594 1.00 38.14 ATOM 1099 CA PHE 67 10.926 -43.999 4.163 1.00 35.32 ATOM 1100 HA PHE 67 10.318 -44.755 4.643 1.00 45.35 ATOM 1101 CB PHE 67 11.778 -44.658 3.077 1.00 73.44 ATOM 1102 HB1 PHE 67 12.506 -43.945 2.707 1.00 38.14 ATOM 1103 HB2 PHE 67 11.131 -44.944 2.257 1.00 73.24 ATOM 1104 CG PHE 67 12.515 -45.878 3.551 1.00 44.22 ATOM 1105 CD1 PHE 67 12.119 -47.143 3.150 1.00 71.34 ATOM 1106 HD1 PHE 67 11.270 -47.252 2.488 1.00 71.14 ATOM 1107 CD2 PHE 67 13.605 -45.758 4.398 1.00 22.41 ATOM 1108 HD2 PHE 67 13.940 -44.783 4.714 1.00 43.01 ATOM 1109 CE1 PHE 67 12.796 -48.268 3.584 1.00 51.52 ATOM 1110 HE1 PHE 67 12.476 -49.249 3.264 1.00 53.02 ATOM 1111 CE2 PHE 67 14.286 -46.879 4.835 1.00 3.21 ATOM 1112 HE2 PHE 67 15.133 -46.773 5.496 1.00 52.42 ATOM 1113 CZ PHE 67 13.880 -48.135 4.429 1.00 44.15 ATOM 1114 HZ PHE 67 14.411 -49.012 4.770 1.00 1.33 ATOM 1115 C PHE 67 11.828 -43.356 5.212 1.00 34.15 ATOM 1116 O PHE 67 11.927 -43.839 6.340 1.00 4.52 ATOM 1117 N MET 68 12.483 -42.264 4.832 1.00 71.44 ATOM 1118 HN MET 68 12.356 -41.920 3.915 1.00 38.14 ATOM 1119 CA MET 68 13.376 -41.554 5.739 1.00 24.34 ATOM 1120 HA MET 68 14.053 -42.269 6.180 1.00 20.11 ATOM 1121 CB MET 68 14.177 -40.497 4.977 1.00 3.23 ATOM 1122 HB1 MET 68 14.827 -39.984 5.663 1.00 38.14 ATOM 1123 HB2 MET 68 13.488 -39.790 4.553 1.00 44.25 ATOM 1124 CG MET 68 15.020 -41.069 3.849 1.00 55.24 ATOM 1125 HG1 MET 68 15.583 -40.273 3.387 1.00 38.14 ATOM 1126 HG2 MET 68 14.373 -41.518 3.134 1.00 33.44 ATOM 1127 SD MET 68 16.164 -42.342 4.413 1.00 63.40 ATOM 1128 CE MET 68 16.851 -41.559 5.870 1.00 42.23 ATOM 1129 HE1 MET 68 17.138 -40.545 5.633 1.00 2.05 ATOM 1130 HE2 MET 68 17.719 -42.111 6.199 1.00 52.05 ATOM 1131 HE3 MET 68 16.112 -41.551 6.655 1.00 41.55 ATOM 1132 C MET 68 12.592 -40.897 6.871 1.00 62.41 ATOM 1133 O MET 68 13.000 -40.946 8.032 1.00 33.23 ATOM 1134 N LEU 69 11.466 -40.283 6.525 1.00 21.22 ATOM 1135 HN LEU 69 11.197 -40.269 5.578 1.00 38.14 ATOM 1136 CA LEU 69 10.624 -39.616 7.512 1.00 5.04 ATOM 1137 HA LEU 69 11.207 -38.824 7.955 1.00 41.23 ATOM 1138 CB LEU 69 9.379 -39.035 6.841 1.00 41.14 ATOM 1139 HB1 LEU 69 8.555 -39.728 6.976 1.00 38.14 ATOM 1140 HB2 LEU 69 9.562 -38.950 5.782 1.00 42.43 ATOM 1141 CG LEU 69 8.927 -37.661 7.338 1.00 63.31 ATOM 1142 HG LEU 69 8.820 -37.692 8.413 1.00 33.44 ATOM 1143 CD1 LEU 69 9.967 -36.603 7.001 1.00 34.43 ATOM 1144 HD11 LEU 69 9.664 -35.656 7.424 1.00 42.02 ATOM 1145 HD12 LEU 69 10.038 -36.505 5.930 1.00 12.13 ATOM 1146 HD13 LEU 69 10.930 -36.878 7.403 1.00 35.02 ATOM 1147 CD2 LEU 69 7.577 -37.295 6.739 1.00 42.11 ATOM 1148 HD21 LEU 69 6.849 -38.051 6.980 1.00 3.33 ATOM 1149 HD22 LEU 69 7.670 -37.228 5.668 1.00 11.14 ATOM 1150 HD23 LEU 69 7.249 -36.343 7.133 1.00 42.24 ATOM 1151 C LEU 69 10.215 -40.581 8.620 1.00 20.04 ATOM 1152 O LEU 69 10.251 -40.237 9.802 1.00 55.30 ATOM 1153 N TYR 70 9.829 -41.791 8.231 1.00 53.20 ATOM 1154 HN TYR 70 9.819 -42.012 7.269 1.00 38.14 ATOM 1155 CA TYR 70 9.412 -42.806 9.191 1.00 23.11 ATOM 1156 HA TYR 70 8.692 -42.369 9.863 1.00 24.03 ATOM 1157 CB TYR 70 8.756 -43.983 8.468 1.00 64.52 ATOM 1158 HB1 TYR 70 9.414 -44.313 7.674 1.00 38.14 ATOM 1159 HB2 TYR 70 7.827 -43.655 8.031 1.00 63.53 ATOM 1160 CG TYR 70 8.470 -45.164 9.368 1.00 1.23 ATOM 1161 CD1 TYR 70 7.248 -45.287 10.018 1.00 53.42 ATOM 1162 HD1 TYR 70 6.493 -44.526 9.873 1.00 31.41 ATOM 1163 CD2 TYR 70 9.422 -46.156 9.571 1.00 53.43 ATOM 1164 HD2 TYR 70 10.380 -46.079 9.075 1.00 4.41 ATOM 1165 CE1 TYR 70 6.982 -46.363 10.842 1.00 12.11 ATOM 1166 HE1 TYR 70 6.026 -46.441 11.336 1.00 34.13 ATOM 1167 CE2 TYR 70 9.164 -47.236 10.392 1.00 71.01 ATOM 1168 HE2 TYR 70 9.917 -47.997 10.536 1.00 25.22 ATOM 1169 CZ TYR 70 7.943 -47.335 11.026 1.00 72.14 ATOM 1170 OH TYR 70 7.683 -48.409 11.846 1.00 73.14 ATOM 1171 HH TYR 70 8.175 -48.319 12.668 1.00 34.13 ATOM 1172 C TYR 70 10.600 -43.298 10.014 1.00 54.45 ATOM 1173 O TYR 70 10.543 -43.341 11.243 1.00 43.24 ATOM 1174 N VAL 71 11.675 -43.667 9.325 1.00 23.05 ATOM 1175 HN VAL 71 11.663 -43.594 8.341 1.00 38.14 ATOM 1176 CA VAL 71 12.878 -44.154 9.990 1.00 21.13 ATOM 1177 HA VAL 71 12.625 -45.060 10.526 1.00 22.24 ATOM 1178 CB VAL 71 13.983 -44.494 8.973 1.00 61.32 ATOM 1179 HB VAL 71 14.203 -43.606 8.396 1.00 40.20 ATOM 1180 CG1 VAL 71 15.255 -44.923 9.689 1.00 73.52 ATOM 1181 HG11 VAL 71 15.962 -45.320 8.970 1.00 20.44 ATOM 1182 HG12 VAL 71 15.028 -45.687 10.420 1.00 23.41 ATOM 1183 HG13 VAL 71 15.704 -44.074 10.183 1.00 72.13 ATOM 1184 CG2 VAL 71 13.510 -45.577 8.015 1.00 54.13 ATOM 1185 HG21 VAL 71 12.452 -45.502 7.828 1.00 63.11 ATOM 1186 HG22 VAL 71 13.718 -46.556 8.428 1.00 53.05 ATOM 1187 HG23 VAL 71 14.041 -45.466 7.089 1.00 34.43 ATOM 1188 C VAL 71 13.413 -43.126 10.981 1.00 42.25 ATOM 1189 O VAL 71 13.862 -43.475 12.073 1.00 5.10 ATOM 1190 N LEU 72 13.362 -41.856 10.592 1.00 21.52 ATOM 1191 HN LEU 72 12.996 -41.635 9.705 1.00 38.14 ATOM 1192 CA LEU 72 13.841 -40.775 11.446 1.00 24.22 ATOM 1193 HA LEU 72 14.811 -41.060 11.829 1.00 21.01 ATOM 1194 CB LEU 72 13.963 -39.480 10.642 1.00 5.31 ATOM 1195 HB1 LEU 72 13.705 -38.659 11.279 1.00 38.14 ATOM 1196 HB2 LEU 72 13.247 -39.494 9.837 1.00 60.34 ATOM 1197 CG LEU 72 15.344 -39.180 10.057 1.00 22.31 ATOM 1198 HG LEU 72 15.311 -38.230 9.544 1.00 3.10 ATOM 1199 CD1 LEU 72 16.383 -39.081 11.164 1.00 73.33 ATOM 1200 HD11 LEU 72 16.855 -38.111 11.114 1.00 2.45 ATOM 1201 HD12 LEU 72 17.142 -39.845 11.045 1.00 15.20 ATOM 1202 HD13 LEU 72 15.926 -39.196 12.137 1.00 54.30 ATOM 1203 CD2 LEU 72 15.738 -40.248 9.047 1.00 24.11 ATOM 1204 HD21 LEU 72 15.630 -41.234 9.476 1.00 71.50 ATOM 1205 HD22 LEU 72 16.769 -40.103 8.750 1.00 50.41 ATOM 1206 HD23 LEU 72 15.116 -40.162 8.176 1.00 35.11 ATOM 1207 C LEU 72 12.907 -40.564 12.633 1.00 23.14 ATOM 1208 O LEU 72 13.344 -40.541 13.784 1.00 2.31 ATOM 1209 N VAL 73 11.618 -40.413 12.346 1.00 3.21 ATOM 1210 HN VAL 73 11.327 -40.440 11.403 1.00 38.14 ATOM 1211 CA VAL 73 10.621 -40.207 13.390 1.00 63.21 ATOM 1212 HA VAL 73 10.875 -39.300 13.916 1.00 53.21 ATOM 1213 CB VAL 73 9.209 -40.056 12.795 1.00 53.30 ATOM 1214 HB VAL 73 9.031 -40.885 12.125 1.00 3.54 ATOM 1215 CG1 VAL 73 8.159 -40.099 13.894 1.00 34.15 ATOM 1216 HG11 VAL 73 8.458 -39.497 14.729 1.00 54.25 ATOM 1217 HG12 VAL 73 8.017 -41.118 14.221 1.00 32.05 ATOM 1218 HG13 VAL 73 7.216 -39.729 13.511 1.00 34.15 ATOM 1219 CG2 VAL 73 9.103 -38.765 11.996 1.00 21.51 ATOM 1220 HG21 VAL 73 8.231 -38.807 11.363 1.00 32.11 ATOM 1221 HG22 VAL 73 9.982 -38.626 11.386 1.00 25.42 ATOM 1222 HG23 VAL 73 9.011 -37.923 12.670 1.00 62.34 ATOM 1223 C VAL 73 10.621 -41.363 14.385 1.00 52.35 ATOM 1224 O VAL 73 10.438 -41.163 15.586 1.00 74.11 ATOM 1225 N THR 74 10.828 -42.574 13.877 1.00 54.24 ATOM 1226 HN THR 74 10.955 -42.675 12.909 1.00 38.14 ATOM 1227 CA THR 74 10.850 -43.762 14.720 1.00 65.44 ATOM 1228 HA THR 74 9.985 -43.736 15.375 1.00 11.00 ATOM 1229 CB THR 74 10.780 -45.050 13.877 1.00 22.01 ATOM 1230 HB THR 74 10.908 -45.907 14.528 1.00 41.21 ATOM 1231 OG1 THR 74 11.823 -45.051 12.896 1.00 23.21 ATOM 1232 HG1 THR 74 11.609 -44.444 12.211 1.00 71.42 ATOM 1233 CG2 THR 74 9.429 -45.173 13.189 1.00 63.15 ATOM 1234 HG21 THR 74 9.562 -45.209 12.127 1.00 53.14 ATOM 1235 HG22 THR 74 8.789 -44.336 13.438 1.00 43.22 ATOM 1236 HG23 THR 74 8.956 -46.088 13.510 1.00 34.43 ATOM 1237 C THR 74 12.107 -43.801 15.582 1.00 51.21 ATOM 1238 O THR 74 12.033 -44.011 16.792 1.00 63.30 ATOM 1239 N GLU 75 13.259 -43.596 14.951 1.00 52.52 ATOM 1240 HN GLU 75 13.254 -43.434 13.977 1.00 38.14 ATOM 1241 CA GLU 75 14.532 -43.607 15.662 1.00 35.14 ATOM 1242 HA GLU 75 14.647 -44.575 16.130 1.00 34.23 ATOM 1243 CB GLU 75 15.689 -43.392 14.685 1.00 24.44 ATOM 1244 HB1 GLU 75 15.418 -43.790 13.724 1.00 38.14 ATOM 1245 HB2 GLU 75 16.545 -43.948 15.040 1.00 61.11 ATOM 1246 CG GLU 75 16.069 -41.933 14.503 1.00 4.54 ATOM 1247 HG1 GLU 75 15.238 -41.286 14.687 1.00 38.14 ATOM 1248 HG2 GLU 75 16.383 -41.801 13.478 1.00 42.03 ATOM 1249 CD GLU 75 17.225 -41.515 15.393 1.00 74.15 ATOM 1250 OE1 GLU 75 17.795 -40.430 15.153 1.00 14.11 ATOM 1251 OE2 GLU 75 17.559 -42.273 16.327 1.00 53.10 ATOM 1252 C GLU 75 14.559 -42.532 16.745 1.00 23.32 ATOM 1253 O GLU 75 15.362 -42.593 17.676 1.00 25.14 ATOM 1254 N LYS 76 13.676 -41.548 16.616 1.00 45.31 ATOM 1255 HN LYS 76 13.090 -41.504 15.832 1.00 38.14 ATOM 1256 CA LYS 76 13.597 -40.459 17.582 1.00 4.41 ATOM 1257 HA LYS 76 14.555 -40.345 18.061 1.00 72.53 ATOM 1258 CB LYS 76 13.214 -39.154 16.880 1.00 14.24 ATOM 1259 HB1 LYS 76 12.925 -38.417 17.620 1.00 38.14 ATOM 1260 HB2 LYS 76 12.373 -39.341 16.229 1.00 71.33 ATOM 1261 CG LYS 76 14.335 -38.559 16.046 1.00 72.53 ATOM 1262 HG1 LYS 76 14.002 -37.612 15.648 1.00 38.14 ATOM 1263 HG2 LYS 76 14.571 -39.229 15.240 1.00 2.03 ATOM 1264 CD LYS 76 15.590 -38.339 16.874 1.00 72.34 ATOM 1265 HD1 LYS 76 16.009 -39.302 17.124 1.00 38.14 ATOM 1266 HD2 LYS 76 15.353 -37.811 17.780 1.00 12.35 ATOM 1267 CE LYS 76 16.639 -37.557 16.098 1.00 32.03 ATOM 1268 HE1 LYS 76 16.525 -36.510 16.308 1.00 38.14 ATOM 1269 HE2 LYS 76 16.511 -37.745 15.054 1.00 34.21 ATOM 1270 NZ LYS 76 18.022 -37.974 16.461 1.00 53.22 ATOM 1271 HZ1 LYS 76 18.160 -38.986 16.260 1.00 22.10 ATOM 1272 HZ2 LYS 76 18.197 -37.806 17.473 1.00 1.10 ATOM 1273 HZ3 LYS 76 18.713 -37.427 15.909 1.00 53.31 ATOM 1274 C LYS 76 12.585 -40.776 18.678 1.00 53.22 ATOM 1275 O LYS 76 12.297 -39.938 19.532 1.00 23.51 ATOM 1276 N GLY 77 12.048 -41.992 18.647 1.00 12.15 ATOM 1277 HN GLY 77 12.291 -42.632 17.966 1.00 38.14 ATOM 1278 CA GLY 77 11.074 -42.398 19.644 1.00 23.02 ATOM 1279 HA1 GLY 77 11.006 -41.668 20.437 1.00 38.14 ATOM 1280 HA2 GLY 77 11.400 -43.334 20.073 1.00 11.51 ATOM 1281 C GLY 77 9.693 -42.604 19.055 1.00 30.31 ATOM 1282 O GLY 77 8.912 -43.413 19.555 1.00 52.14 ATOM 1283 N GLY 78 9.390 -41.869 17.989 1.00 33.15 ATOM 1284 HN GLY 78 10.041 -41.228 17.624 1.00 38.14 ATOM 1285 CA GLY 78 8.092 -41.989 17.351 1.00 42.24 ATOM 1286 HA1 GLY 78 7.409 -42.551 17.977 1.00 38.14 ATOM 1287 HA2 GLY 78 8.216 -42.519 16.419 1.00 50.10 ATOM 1288 C GLY 78 7.465 -40.641 17.056 1.00 54.13 ATOM 1289 O GLY 78 7.975 -39.604 17.480 1.00 3.54 ATOM 1290 N LEU 79 6.355 -40.654 16.325 1.00 2.11 ATOM 1291 HN LEU 79 5.996 -41.518 16.009 1.00 38.14 ATOM 1292 CA LEU 79 5.657 -39.422 15.972 1.00 63.52 ATOM 1293 HA LEU 79 6.286 -38.861 15.305 1.00 72.20 ATOM 1294 CB LEU 79 4.338 -39.745 15.267 1.00 3.22 ATOM 1295 HB1 LEU 79 3.768 -40.400 15.911 1.00 38.14 ATOM 1296 HB2 LEU 79 4.578 -40.282 14.371 1.00 3.12 ATOM 1297 CG LEU 79 3.459 -38.547 14.909 1.00 53.54 ATOM 1298 HG LEU 79 3.083 -38.113 15.814 1.00 20.24 ATOM 1299 CD1 LEU 79 4.267 -37.495 14.164 1.00 12.12 ATOM 1300 HD11 LEU 79 4.800 -37.948 13.344 1.00 44.10 ATOM 1301 HD12 LEU 79 4.975 -37.042 14.841 1.00 21.22 ATOM 1302 HD13 LEU 79 3.607 -36.727 13.781 1.00 65.42 ATOM 1303 CD2 LEU 79 2.265 -38.991 14.077 1.00 75.51 ATOM 1304 HD21 LEU 79 1.732 -38.124 13.707 1.00 34.03 ATOM 1305 HD22 LEU 79 1.600 -39.568 14.701 1.00 40.01 ATOM 1306 HD23 LEU 79 2.574 -39.593 13.258 1.00 72.12 ATOM 1307 C LEU 79 5.391 -38.573 17.210 1.00 0.03 ATOM 1308 O LEU 79 5.746 -37.395 17.256 1.00 20.13 ATOM 1309 N VAL 80 4.765 -39.179 18.214 1.00 24.33 ATOM 1310 HN VAL 80 4.533 -40.132 18.122 1.00 38.14 ATOM 1311 CA VAL 80 4.454 -38.480 19.455 1.00 5.12 ATOM 1312 HA VAL 80 3.769 -37.674 19.224 1.00 54.13 ATOM 1313 CB VAL 80 3.777 -39.417 20.473 1.00 41.30 ATOM 1314 HB VAL 80 4.454 -40.217 20.689 1.00 20.12 ATOM 1315 CG1 VAL 80 3.491 -38.678 21.771 1.00 4.34 ATOM 1316 HG11 VAL 80 3.241 -37.644 21.563 1.00 73.13 ATOM 1317 HG12 VAL 80 4.365 -38.711 22.402 1.00 32.11 ATOM 1318 HG13 VAL 80 2.667 -39.134 22.285 1.00 14.31 ATOM 1319 CG2 VAL 80 2.499 -40.001 19.890 1.00 22.12 ATOM 1320 HG21 VAL 80 2.720 -40.563 18.997 1.00 22.20 ATOM 1321 HG22 VAL 80 1.821 -39.208 19.655 1.00 31.45 ATOM 1322 HG23 VAL 80 2.037 -40.657 20.615 1.00 63.32 ATOM 1323 C VAL 80 5.712 -37.889 20.083 1.00 31.31 ATOM 1324 O VAL 80 5.753 -36.706 20.418 1.00 34.24 ATOM 1325 N GLU 81 6.736 -38.722 20.239 1.00 64.24 ATOM 1326 HN GLU 81 6.641 -39.662 19.952 1.00 38.14 ATOM 1327 CA GLU 81 7.996 -38.282 20.827 1.00 53.41 ATOM 1328 HA GLU 81 7.792 -37.949 21.837 1.00 24.14 ATOM 1329 CB GLU 81 8.995 -39.440 20.875 1.00 54.40 ATOM 1330 HB1 GLU 81 9.363 -39.635 19.875 1.00 38.14 ATOM 1331 HB2 GLU 81 8.483 -40.327 21.227 1.00 62.34 ATOM 1332 CG GLU 81 10.191 -39.175 21.774 1.00 53.12 ATOM 1333 HG1 GLU 81 10.475 -38.136 21.710 1.00 38.14 ATOM 1334 HG2 GLU 81 11.010 -39.784 21.445 1.00 60.32 ATOM 1335 CD GLU 81 9.916 -39.516 23.226 1.00 63.04 ATOM 1336 OE1 GLU 81 9.824 -38.580 24.047 1.00 14.20 ATOM 1337 OE2 GLU 81 9.795 -40.718 23.540 1.00 33.24 ATOM 1338 C GLU 81 8.587 -37.118 20.037 1.00 4.41 ATOM 1339 O GLU 81 9.130 -36.174 20.613 1.00 62.43 ATOM 1340 N VAL 82 8.479 -37.192 18.714 1.00 12.33 ATOM 1341 HN VAL 82 8.042 -37.974 18.304 1.00 38.14 ATOM 1342 CA VAL 82 9.002 -36.145 17.844 1.00 31.14 ATOM 1343 HA VAL 82 10.028 -35.965 18.121 1.00 22.22 ATOM 1344 CB VAL 82 8.960 -36.572 16.365 1.00 10.11 ATOM 1345 HB VAL 82 7.957 -36.899 16.134 1.00 31.21 ATOM 1346 CG1 VAL 82 9.297 -35.396 15.460 1.00 30.54 ATOM 1347 HG11 VAL 82 9.084 -35.683 14.441 1.00 63.53 ATOM 1348 HG12 VAL 82 10.327 -35.153 15.526 1.00 22.13 ATOM 1349 HG13 VAL 82 8.702 -34.530 15.697 1.00 14.34 ATOM 1350 CG2 VAL 82 9.910 -37.734 16.119 1.00 21.11 ATOM 1351 HG21 VAL 82 9.672 -38.555 16.763 1.00 3.52 ATOM 1352 HG22 VAL 82 10.925 -37.420 16.312 1.00 5.42 ATOM 1353 HG23 VAL 82 9.827 -38.044 15.095 1.00 71.52 ATOM 1354 C VAL 82 8.217 -34.849 18.011 1.00 52.04 ATOM 1355 O VAL 82 8.795 -33.763 18.057 1.00 40.22 ATOM 1356 N ILE 83 6.897 -34.971 18.100 1.00 13.24 ATOM 1357 HN ILE 83 6.486 -35.866 18.049 1.00 38.14 ATOM 1358 CA ILE 83 6.032 -33.809 18.263 1.00 1.43 ATOM 1359 HA ILE 83 6.254 -33.105 17.468 1.00 43.24 ATOM 1360 CB ILE 83 4.545 -34.195 18.164 1.00 34.34 ATOM 1361 HB ILE 83 4.343 -34.940 18.922 1.00 61.11 ATOM 1362 CG1 ILE 83 4.237 -34.777 16.783 1.00 22.42 ATOM 1363 HG11 ILE 83 5.071 -35.358 16.429 1.00 38.14 ATOM 1364 HG12 ILE 83 4.065 -33.979 16.081 1.00 20.12 ATOM 1365 CG2 ILE 83 3.664 -32.987 18.444 1.00 54.10 ATOM 1366 HG21 ILE 83 3.997 -32.144 17.854 1.00 54.15 ATOM 1367 HG22 ILE 83 3.709 -32.734 19.493 1.00 12.13 ATOM 1368 HG23 ILE 83 2.639 -33.219 18.190 1.00 54.35 ATOM 1369 CD1 ILE 83 3.023 -35.679 16.764 1.00 32.11 ATOM 1370 HD11 ILE 83 2.185 -35.169 17.220 1.00 1.22 ATOM 1371 HD12 ILE 83 3.237 -36.580 17.318 1.00 13.33 ATOM 1372 HD13 ILE 83 2.774 -35.929 15.747 1.00 31.33 ATOM 1373 C ILE 83 6.280 -33.123 19.603 1.00 54.35 ATOM 1374 O ILE 83 6.208 -31.899 19.707 1.00 22.11 ATOM 1375 N ASN 84 6.573 -33.920 20.624 1.00 33.45 ATOM 1376 HN ASN 84 6.614 -34.896 20.488 1.00 38.14 ATOM 1377 CA ASN 84 6.832 -33.390 21.958 1.00 65.00 ATOM 1378 HA ASN 84 6.142 -32.574 22.146 1.00 53.14 ATOM 1379 CB ASN 84 6.612 -34.476 23.013 1.00 5.12 ATOM 1380 HB1 ASN 84 6.960 -34.120 23.976 1.00 38.14 ATOM 1381 HB2 ASN 84 7.180 -35.352 22.735 1.00 15.15 ATOM 1382 CG ASN 84 5.151 -34.856 23.155 1.00 24.24 ATOM 1383 OD1 ASN 84 4.281 -33.992 23.264 1.00 62.14 ATOM 1384 ND2 ASN 84 4.876 -36.155 23.156 1.00 33.32 ATOM 1385 HD21 ASN 84 5.610 -36.804 23.065 1.00 11.22 ATOM 1386 HD22 ASN 84 3.939 -36.418 23.258 1.00 21.21 ATOM 1387 C ASN 84 8.255 -32.847 22.060 1.00 54.12 ATOM 1388 O ASN 84 8.481 -31.768 22.608 1.00 45.13 ATOM 1389 N LYS 85 9.210 -33.602 21.528 1.00 52.22 ATOM 1390 HN LYS 85 8.970 -34.460 21.107 1.00 38.14 ATOM 1391 CA LYS 85 10.610 -33.197 21.556 1.00 63.10 ATOM 1392 HA LYS 85 10.879 -32.978 22.578 1.00 54.41 ATOM 1393 CB LYS 85 11.499 -34.325 21.028 1.00 62.23 ATOM 1394 HB1 LYS 85 12.447 -33.914 20.696 1.00 38.14 ATOM 1395 HB2 LYS 85 11.011 -34.778 20.181 1.00 43.41 ATOM 1396 CG LYS 85 11.771 -35.415 22.050 1.00 4.23 ATOM 1397 HG1 LYS 85 11.681 -36.369 21.556 1.00 38.14 ATOM 1398 HG2 LYS 85 11.051 -35.366 22.855 1.00 61.11 ATOM 1399 CD LYS 85 13.176 -35.306 22.621 1.00 54.03 ATOM 1400 HD1 LYS 85 13.894 -35.376 21.815 1.00 38.14 ATOM 1401 HD2 LYS 85 13.334 -36.118 23.316 1.00 65.23 ATOM 1402 CE LYS 85 13.379 -33.988 23.353 1.00 64.34 ATOM 1403 HE1 LYS 85 13.169 -33.162 22.690 1.00 38.14 ATOM 1404 HE2 LYS 85 14.410 -33.931 23.668 1.00 63.53 ATOM 1405 NZ LYS 85 12.511 -33.883 24.557 1.00 13.15 ATOM 1406 HZ1 LYS 85 11.508 -33.903 24.299 1.00 12.52 ATOM 1407 HZ2 LYS 85 12.705 -32.990 25.053 1.00 12.35 ATOM 1408 HZ3 LYS 85 12.705 -34.671 25.211 1.00 21.23 ATOM 1409 C LYS 85 10.828 -31.934 20.729 1.00 24.11 ATOM 1410 O LYS 85 11.853 -31.264 20.859 1.00 41.24 ATOM 1411 N LYS 86 9.858 -31.613 19.880 1.00 61.52 ATOM 1412 HN LYS 86 9.088 -32.199 19.751 1.00 38.14 ATOM 1413 CA LYS 86 9.942 -30.429 19.033 1.00 31.33 ATOM 1414 HA LYS 86 9.110 -30.453 18.345 1.00 43.54 ATOM 1415 CB LYS 86 9.848 -29.161 19.884 1.00 10.15 ATOM 1416 HB1 LYS 86 9.910 -28.293 19.240 1.00 38.14 ATOM 1417 HB2 LYS 86 10.687 -29.140 20.567 1.00 62.12 ATOM 1418 CG LYS 86 8.578 -29.078 20.714 1.00 4.12 ATOM 1419 HG1 LYS 86 8.801 -28.508 21.605 1.00 38.14 ATOM 1420 HG2 LYS 86 8.258 -30.067 20.998 1.00 43.41 ATOM 1421 CD LYS 86 7.451 -28.411 19.944 1.00 45.51 ATOM 1422 HD1 LYS 86 6.743 -29.172 19.668 1.00 38.14 ATOM 1423 HD2 LYS 86 7.830 -27.938 19.046 1.00 30.22 ATOM 1424 CE LYS 86 6.740 -27.366 20.790 1.00 32.33 ATOM 1425 HE1 LYS 86 6.909 -27.556 21.842 1.00 38.14 ATOM 1426 HE2 LYS 86 5.685 -27.422 20.594 1.00 53.51 ATOM 1427 NZ LYS 86 7.200 -25.986 20.471 1.00 34.32 ATOM 1428 HZ1 LYS 86 8.222 -25.895 20.650 1.00 62.34 ATOM 1429 HZ2 LYS 86 6.696 -25.298 21.066 1.00 52.54 ATOM 1430 HZ3 LYS 86 7.011 -25.763 19.471 1.00 70.05 ATOM 1431 C LYS 86 11.241 -30.423 18.234 1.00 1.30 ATOM 1432 O LYS 86 11.753 -29.363 17.871 1.00 42.20 ATOM 1433 N LEU 87 11.769 -31.611 17.962 1.00 52.03 ATOM 1434 HN LEU 87 11.294 -32.416 18.224 1.00 38.14 ATOM 1435 CA LEU 87 13.008 -31.742 17.203 1.00 21.24 ATOM 1436 HA LEU 87 13.588 -30.833 17.313 1.00 34.32 ATOM 1437 CB LEU 87 13.839 -32.908 17.744 1.00 53.44 ATOM 1438 HB1 LEU 87 13.705 -32.949 18.818 1.00 38.14 ATOM 1439 HB2 LEU 87 14.879 -32.694 17.541 1.00 30.14 ATOM 1440 CG LEU 87 13.519 -34.286 17.163 1.00 13.42 ATOM 1441 HG LEU 87 13.836 -34.339 16.137 1.00 54.15 ATOM 1442 CD1 LEU 87 14.281 -35.369 17.910 1.00 73.30 ATOM 1443 HD11 LEU 87 13.934 -36.334 17.586 1.00 53.23 ATOM 1444 HD12 LEU 87 14.113 -35.271 18.975 1.00 61.33 ATOM 1445 HD13 LEU 87 15.336 -35.277 17.702 1.00 23.22 ATOM 1446 CD2 LEU 87 12.021 -34.552 17.215 1.00 3.42 ATOM 1447 HD21 LEU 87 11.483 -33.857 16.603 1.00 41.42 ATOM 1448 HD22 LEU 87 11.676 -34.475 18.231 1.00 21.32 ATOM 1449 HD23 LEU 87 11.832 -35.553 16.861 1.00 32.01 ATOM 1450 C LEU 87 12.719 -31.953 15.721 1.00 43.15 ATOM 1451 O LEU 87 13.560 -32.465 14.981 1.00 1.51 ATOM 1452 N TRP 88 11.527 -31.554 15.293 1.00 42.50 ATOM 1453 HN TRP 88 10.886 -31.157 15.909 1.00 38.14 ATOM 1454 CA TRP 88 11.129 -31.697 13.897 1.00 14.22 ATOM 1455 HA TRP 88 10.963 -32.749 13.709 1.00 72.32 ATOM 1456 CB TRP 88 9.840 -30.917 13.631 1.00 43.53 ATOM 1457 HB1 TRP 88 9.835 -30.552 12.610 1.00 38.14 ATOM 1458 HB2 TRP 88 9.788 -30.068 14.301 1.00 23.43 ATOM 1459 CG TRP 88 8.600 -31.738 13.813 1.00 71.04 ATOM 1460 CD1 TRP 88 7.589 -31.510 14.702 1.00 51.11 ATOM 1461 HD1 TRP 88 7.566 -30.685 15.399 1.00 44.15 ATOM 1462 CD2 TRP 88 8.241 -32.920 13.089 1.00 41.04 ATOM 1463 NE1 TRP 88 6.623 -32.479 14.574 1.00 1.04 ATOM 1464 HE1 TRP 88 5.798 -32.533 15.101 1.00 21.54 ATOM 1465 CE2 TRP 88 6.999 -33.355 13.591 1.00 60.21 ATOM 1466 CE3 TRP 88 8.847 -33.652 12.064 1.00 52.33 ATOM 1467 HE3 TRP 88 9.792 -33.349 11.653 1.00 73.01 ATOM 1468 CZ2 TRP 88 6.355 -34.489 13.103 1.00 61.11 ATOM 1469 HZ2 TRP 88 5.402 -34.817 13.492 1.00 63.31 ATOM 1470 CZ3 TRP 88 8.207 -34.777 11.581 1.00 75.13 ATOM 1471 HZ3 TRP 88 8.658 -35.353 10.789 1.00 13.40 ATOM 1472 CH2 TRP 88 6.971 -35.187 12.099 1.00 10.45 ATOM 1473 HH2 TRP 88 6.507 -36.073 11.691 1.00 4.31 ATOM 1474 C TRP 88 12.233 -31.213 12.963 1.00 34.45 ATOM 1475 O TRP 88 12.437 -31.774 11.887 1.00 61.13 ATOM 1476 N ARG 89 12.942 -30.170 13.383 1.00 73.45 ATOM 1477 HN ARG 89 12.708 -29.727 14.231 1.00 38.14 ATOM 1478 CA ARG 89 14.025 -29.612 12.582 1.00 13.52 ATOM 1479 HA ARG 89 13.592 -29.174 11.695 1.00 74.24 ATOM 1480 CB ARG 89 14.757 -28.522 13.367 1.00 43.31 ATOM 1481 HB1 ARG 89 14.050 -27.732 13.577 1.00 38.14 ATOM 1482 HB2 ARG 89 15.553 -28.120 12.752 1.00 74.00 ATOM 1483 CG ARG 89 15.364 -29.013 14.671 1.00 33.50 ATOM 1484 HG1 ARG 89 16.408 -29.239 14.507 1.00 38.14 ATOM 1485 HG2 ARG 89 14.854 -29.902 15.010 1.00 11.04 ATOM 1486 CD ARG 89 15.252 -27.965 15.767 1.00 21.53 ATOM 1487 HD1 ARG 89 15.296 -28.472 16.721 1.00 38.14 ATOM 1488 HD2 ARG 89 14.305 -27.446 15.689 1.00 51.13 ATOM 1489 NE ARG 89 16.338 -26.991 15.706 1.00 65.31 ATOM 1490 HE ARG 89 16.972 -27.052 14.953 1.00 63.30 ATOM 1491 CZ ARG 89 16.515 -26.030 16.605 1.00 52.40 ATOM 1492 NH1 ARG 89 15.681 -25.914 17.629 1.00 21.24 ATOM 1493 HH11 ARG 89 14.911 -26.539 17.745 1.00 10.22 ATOM 1494 HH12 ARG 89 15.822 -25.186 18.303 1.00 51.22 ATOM 1495 NH2 ARG 89 17.527 -25.181 16.481 1.00 43.04 ATOM 1496 HH21 ARG 89 18.161 -25.262 15.709 1.00 40.02 ATOM 1497 HH22 ARG 89 17.662 -24.455 17.159 1.00 41.44 ATOM 1498 C ARG 89 15.008 -30.700 12.163 1.00 64.00 ATOM 1499 O ARG 89 15.552 -30.667 11.059 1.00 14.34 ATOM 1500 N GLU 90 15.232 -31.663 13.052 1.00 3.30 ATOM 1501 HN GLU 90 14.773 -31.644 13.917 1.00 38.14 ATOM 1502 CA GLU 90 16.152 -32.760 12.774 1.00 53.22 ATOM 1503 HA GLU 90 17.084 -32.341 12.416 1.00 32.45 ATOM 1504 CB GLU 90 16.432 -33.556 14.050 1.00 2.42 ATOM 1505 HB1 GLU 90 16.149 -32.963 14.910 1.00 38.14 ATOM 1506 HB2 GLU 90 17.493 -33.750 14.113 1.00 1.13 ATOM 1507 CG GLU 90 15.677 -34.872 14.125 1.00 63.21 ATOM 1508 HG1 GLU 90 14.654 -34.750 13.817 1.00 38.14 ATOM 1509 HG2 GLU 90 15.676 -35.179 15.153 1.00 63.53 ATOM 1510 CD GLU 90 16.333 -35.968 13.307 1.00 52.33 ATOM 1511 OE1 GLU 90 15.666 -36.989 13.039 1.00 52.44 ATOM 1512 OE2 GLU 90 17.514 -35.803 12.934 1.00 35.32 ATOM 1513 C GLU 90 15.587 -33.684 11.699 1.00 54.10 ATOM 1514 O GLU 90 16.330 -34.235 10.887 1.00 73.54 ATOM 1515 N ILE 91 14.268 -33.848 11.702 1.00 61.12 ATOM 1516 HN ILE 91 13.727 -33.361 12.355 1.00 38.14 ATOM 1517 CA ILE 91 13.603 -34.704 10.727 1.00 23.45 ATOM 1518 HA ILE 91 14.137 -35.645 10.684 1.00 41.01 ATOM 1519 CB ILE 91 12.143 -34.986 11.129 1.00 42.22 ATOM 1520 HB ILE 91 11.573 -34.080 11.000 1.00 15.54 ATOM 1521 CG1 ILE 91 12.068 -35.414 12.596 1.00 40.41 ATOM 1522 HG11 ILE 91 11.030 -35.554 12.863 1.00 38.14 ATOM 1523 HG12 ILE 91 12.484 -34.653 13.233 1.00 3.32 ATOM 1524 CG2 ILE 91 11.543 -36.055 10.228 1.00 21.01 ATOM 1525 HG21 ILE 91 12.181 -36.929 10.216 1.00 23.21 ATOM 1526 HG22 ILE 91 11.446 -35.670 9.224 1.00 44.20 ATOM 1527 HG23 ILE 91 10.565 -36.335 10.593 1.00 41.21 ATOM 1528 CD1 ILE 91 12.787 -36.713 12.884 1.00 74.10 ATOM 1529 HD11 ILE 91 13.260 -36.648 13.850 1.00 35.03 ATOM 1530 HD12 ILE 91 13.529 -36.915 12.140 1.00 71.12 ATOM 1531 HD13 ILE 91 12.070 -37.519 12.898 1.00 12.11 ATOM 1532 C ILE 91 13.625 -34.076 9.338 1.00 32.12 ATOM 1533 O ILE 91 13.818 -34.765 8.336 1.00 45.44 ATOM 1534 N THR 92 13.426 -32.763 9.285 1.00 3.44 ATOM 1535 HN THR 92 13.268 -32.259 10.118 1.00 38.14 ATOM 1536 CA THR 92 13.424 -32.040 8.020 1.00 75.34 ATOM 1537 HA THR 92 12.814 -32.597 7.317 1.00 53.23 ATOM 1538 CB THR 92 12.840 -30.624 8.182 1.00 4.14 ATOM 1539 HB THR 92 13.556 -29.888 7.832 1.00 72.34 ATOM 1540 OG1 THR 92 12.563 -30.364 9.563 1.00 73.01 ATOM 1541 HG1 THR 92 12.568 -29.416 9.722 1.00 64.13 ATOM 1542 CG2 THR 92 11.567 -30.466 7.365 1.00 0.22 ATOM 1543 HG21 THR 92 11.023 -31.395 7.316 1.00 12.24 ATOM 1544 HG22 THR 92 11.829 -30.159 6.363 1.00 4.14 ATOM 1545 HG23 THR 92 10.946 -29.706 7.813 1.00 2.12 ATOM 1546 C THR 92 14.831 -31.935 7.444 1.00 51.14 ATOM 1547 O THR 92 15.032 -32.078 6.237 1.00 12.03 ATOM 1548 N LYS 93 15.804 -31.685 8.313 1.00 11.51 ATOM 1549 HN LYS 93 15.586 -31.573 9.269 1.00 38.14 ATOM 1550 CA LYS 93 17.194 -31.562 7.892 1.00 44.21 ATOM 1551 HA LYS 93 17.226 -30.898 7.035 1.00 41.53 ATOM 1552 CB LYS 93 18.040 -30.968 9.020 1.00 1.24 ATOM 1553 HB1 LYS 93 18.421 -31.764 9.648 1.00 38.14 ATOM 1554 HB2 LYS 93 17.416 -30.329 9.629 1.00 23.43 ATOM 1555 CG LYS 93 19.224 -30.152 8.529 1.00 33.40 ATOM 1556 HG1 LYS 93 19.597 -30.572 7.602 1.00 38.14 ATOM 1557 HG2 LYS 93 20.000 -30.197 9.279 1.00 41.33 ATOM 1558 CD LYS 93 18.844 -28.699 8.303 1.00 51.34 ATOM 1559 HD1 LYS 93 18.488 -28.278 9.233 1.00 38.14 ATOM 1560 HD2 LYS 93 18.061 -28.650 7.560 1.00 64.41 ATOM 1561 CE LYS 93 20.031 -27.881 7.817 1.00 23.53 ATOM 1562 HE1 LYS 93 19.673 -26.913 7.499 1.00 38.14 ATOM 1563 HE2 LYS 93 20.493 -28.383 6.977 1.00 13.03 ATOM 1564 NZ LYS 93 21.047 -27.688 8.889 1.00 15.34 ATOM 1565 HZ1 LYS 93 21.817 -27.081 8.541 1.00 1.03 ATOM 1566 HZ2 LYS 93 21.451 -28.602 9.175 1.00 63.42 ATOM 1567 HZ3 LYS 93 20.616 -27.235 9.722 1.00 71.32 ATOM 1568 C LYS 93 17.759 -32.917 7.478 1.00 22.14 ATOM 1569 O LYS 93 18.601 -33.003 6.586 1.00 63.32 ATOM 1570 N GLY 94 17.288 -33.974 8.133 1.00 24.31 ATOM 1571 HN GLY 94 16.629 -33.863 8.853 1.00 38.14 ATOM 1572 CA GLY 94 17.757 -35.311 7.818 1.00 21.11 ATOM 1573 HA1 GLY 94 17.198 -36.023 8.407 1.00 38.14 ATOM 1574 HA2 GLY 94 18.803 -35.388 8.078 1.00 54.23 ATOM 1575 C GLY 94 17.590 -35.653 6.351 1.00 63.22 ATOM 1576 O GLY 94 18.403 -36.381 5.779 1.00 72.30 ATOM 1577 N LEU 95 16.534 -35.129 5.739 1.00 31.03 ATOM 1578 HN LEU 95 15.943 -34.516 6.229 1.00 38.14 ATOM 1579 CA LEU 95 16.262 -35.384 4.329 1.00 74.20 ATOM 1580 HA LEU 95 16.732 -36.317 4.041 1.00 53.21 ATOM 1581 CB LEU 95 14.756 -35.516 4.096 1.00 54.23 ATOM 1582 HB1 LEU 95 14.608 -36.227 3.295 1.00 38.14 ATOM 1583 HB2 LEU 95 14.369 -34.565 3.767 1.00 22.04 ATOM 1584 CG LEU 95 13.928 -35.975 5.297 1.00 70.03 ATOM 1585 HG LEU 95 14.112 -35.328 6.128 1.00 3.53 ATOM 1586 CD1 LEU 95 12.442 -35.892 4.984 1.00 10.43 ATOM 1587 HD11 LEU 95 11.965 -35.265 5.722 1.00 1.44 ATOM 1588 HD12 LEU 95 11.990 -36.875 5.010 1.00 74.00 ATOM 1589 HD13 LEU 95 12.281 -35.459 4.004 1.00 65.44 ATOM 1590 CD2 LEU 95 14.312 -37.392 5.698 1.00 13.24 ATOM 1591 HD21 LEU 95 13.545 -37.832 6.322 1.00 61.14 ATOM 1592 HD22 LEU 95 15.243 -37.365 6.245 1.00 0.23 ATOM 1593 HD23 LEU 95 14.442 -37.982 4.811 1.00 44.12 ATOM 1594 C LEU 95 16.828 -34.270 3.455 1.00 54.32 ATOM 1595 O LEU 95 16.539 -34.196 2.261 1.00 34.33 ATOM 1596 N ASN 96 17.637 -33.405 4.058 1.00 62.13 ATOM 1597 HN ASN 96 17.860 -33.499 4.988 1.00 38.14 ATOM 1598 CA ASN 96 18.246 -32.295 3.334 1.00 54.15 ATOM 1599 HA ASN 96 18.907 -31.788 4.021 1.00 75.30 ATOM 1600 CB ASN 96 19.043 -32.816 2.136 1.00 2.22 ATOM 1601 HB1 ASN 96 18.388 -32.985 1.291 1.00 38.14 ATOM 1602 HB2 ASN 96 19.513 -33.752 2.405 1.00 10.24 ATOM 1603 CG ASN 96 20.136 -31.855 1.707 1.00 33.44 ATOM 1604 OD1 ASN 96 20.151 -31.383 0.571 1.00 52.52 ATOM 1605 ND2 ASN 96 21.057 -31.563 2.618 1.00 50.11 ATOM 1606 HD21 ASN 96 20.998 -31.972 3.510 1.00 35.10 ATOM 1607 HD22 ASN 96 21.770 -30.942 2.361 1.00 64.04 ATOM 1608 C ASN 96 17.184 -31.307 2.860 1.00 14.14 ATOM 1609 O ASN 96 17.204 -30.858 1.713 1.00 21.54 ATOM 1610 N LEU 97 16.257 -30.971 3.751 1.00 21.43 ATOM 1611 HN LEU 97 16.299 -31.341 4.664 1.00 38.14 ATOM 1612 CA LEU 97 15.186 -30.035 3.426 1.00 64.50 ATOM 1613 HA LEU 97 15.095 -29.988 2.350 1.00 2.03 ATOM 1614 CB LEU 97 13.859 -30.528 4.004 1.00 34.11 ATOM 1615 HB1 LEU 97 13.077 -29.881 3.639 1.00 38.14 ATOM 1616 HB2 LEU 97 13.892 -30.431 5.078 1.00 12.44 ATOM 1617 CG LEU 97 13.474 -31.969 3.668 1.00 31.43 ATOM 1618 HG LEU 97 14.104 -32.638 4.219 1.00 62.14 ATOM 1619 CD1 LEU 97 12.033 -32.244 4.069 1.00 71.40 ATOM 1620 HD11 LEU 97 11.783 -33.272 3.844 1.00 35.21 ATOM 1621 HD12 LEU 97 11.370 -31.586 3.524 1.00 54.02 ATOM 1622 HD13 LEU 97 11.914 -32.074 5.130 1.00 10.20 ATOM 1623 CD2 LEU 97 13.679 -32.245 2.186 1.00 50.43 ATOM 1624 HD21 LEU 97 14.729 -32.189 1.942 1.00 62.05 ATOM 1625 HD22 LEU 97 13.132 -31.517 1.603 1.00 61.32 ATOM 1626 HD23 LEU 97 13.315 -33.236 1.954 1.00 34.03 ATOM 1627 C LEU 97 15.501 -28.642 3.960 1.00 54.41 ATOM 1628 O LEU 97 16.226 -28.475 4.941 1.00 50.34 ATOM 1629 N PRO 98 14.941 -27.616 3.302 1.00 52.51 ATOM 1630 CA PRO 98 15.145 -26.218 3.694 1.00 13.13 ATOM 1631 HA PRO 98 16.199 -25.979 3.756 1.00 11.45 ATOM 1632 CB PRO 98 14.516 -25.431 2.542 1.00 42.43 ATOM 1633 HB1 PRO 98 15.279 -25.188 1.818 1.00 38.14 ATOM 1634 HB2 PRO 98 14.059 -24.517 2.902 1.00 73.22 ATOM 1635 CG PRO 98 13.504 -26.356 1.959 1.00 43.43 ATOM 1636 HG1 PRO 98 13.367 -26.133 0.911 1.00 38.14 ATOM 1637 HG2 PRO 98 12.577 -26.252 2.484 1.00 71.45 ATOM 1638 CD PRO 98 14.065 -27.741 2.125 1.00 42.24 ATOM 1639 HD1 PRO 98 14.631 -28.029 1.252 1.00 38.14 ATOM 1640 HD2 PRO 98 13.277 -28.438 2.311 1.00 54.11 ATOM 1641 C PRO 98 14.454 -25.879 5.010 1.00 14.54 ATOM 1642 O PRO 98 13.237 -26.021 5.140 1.00 2.04 ATOM 1643 N THR 99 15.237 -25.428 5.986 1.00 74.11 ATOM 1644 HN THR 99 16.200 -25.356 5.817 1.00 38.14 ATOM 1645 CA THR 99 14.700 -25.069 7.292 1.00 10.15 ATOM 1646 HA THR 99 14.059 -25.873 7.633 1.00 35.53 ATOM 1647 CB THR 99 15.823 -24.886 8.330 1.00 25.03 ATOM 1648 HB THR 99 16.296 -25.844 8.498 1.00 73.23 ATOM 1649 OG1 THR 99 15.277 -24.410 9.565 1.00 10.31 ATOM 1650 HG1 THR 99 15.856 -24.656 10.291 1.00 74.14 ATOM 1651 CG2 THR 99 16.874 -23.909 7.824 1.00 13.32 ATOM 1652 HG21 THR 99 17.435 -24.357 7.021 1.00 13.32 ATOM 1653 HG22 THR 99 17.549 -23.671 8.632 1.00 71.21 ATOM 1654 HG23 THR 99 16.409 -22.998 7.476 1.00 75.43 ATOM 1655 C THR 99 13.880 -23.786 7.216 1.00 21.15 ATOM 1656 O THR 99 13.153 -23.447 8.150 1.00 52.32 ATOM 1657 N SER 100 14.002 -23.077 6.099 1.00 52.21 ATOM 1658 HN SER 100 14.630 -23.355 5.402 1.00 38.14 ATOM 1659 CA SER 100 13.274 -21.829 5.903 1.00 53.34 ATOM 1660 HA SER 100 13.513 -21.165 6.724 1.00 12.04 ATOM 1661 CB SER 100 13.703 -21.164 4.593 1.00 13.12 ATOM 1662 HB1 SER 100 13.615 -21.875 3.785 1.00 38.14 ATOM 1663 HB2 SER 100 14.729 -20.839 4.676 1.00 11.23 ATOM 1664 OG SER 100 12.891 -20.040 4.302 1.00 12.40 ATOM 1665 HG SER 100 13.282 -19.541 3.581 1.00 13.13 ATOM 1666 C SER 100 11.768 -22.074 5.892 1.00 71.10 ATOM 1667 O SER 100 10.977 -21.153 6.098 1.00 33.44 ATOM 1668 N ILE 101 11.380 -23.322 5.650 1.00 11.30 ATOM 1669 HN ILE 101 12.046 -24.009 5.459 1.00 38.14 ATOM 1670 CA ILE 101 9.970 -23.689 5.613 1.00 31.14 ATOM 1671 HA ILE 101 9.534 -23.226 4.735 1.00 22.41 ATOM 1672 CB ILE 101 9.788 -25.214 5.493 1.00 3.33 ATOM 1673 HB ILE 101 10.272 -25.673 6.339 1.00 52.42 ATOM 1674 CG1 ILE 101 10.443 -25.728 4.209 1.00 12.33 ATOM 1675 HG11 ILE 101 11.375 -25.225 4.027 1.00 38.14 ATOM 1676 HG12 ILE 101 9.787 -25.536 3.370 1.00 24.12 ATOM 1677 CG2 ILE 101 8.311 -25.575 5.523 1.00 72.14 ATOM 1678 HG21 ILE 101 7.798 -25.076 4.713 1.00 44.33 ATOM 1679 HG22 ILE 101 7.873 -25.280 6.456 1.00 33.24 ATOM 1680 HG23 ILE 101 8.198 -26.644 5.406 1.00 23.22 ATOM 1681 CD1 ILE 101 10.724 -27.214 4.227 1.00 12.14 ATOM 1682 HD11 ILE 101 11.307 -27.485 3.371 1.00 52.35 ATOM 1683 HD12 ILE 101 9.789 -27.754 4.206 1.00 3.20 ATOM 1684 HD13 ILE 101 11.265 -27.473 5.126 1.00 35.44 ATOM 1685 C ILE 101 9.241 -23.198 6.860 1.00 63.32 ATOM 1686 O ILE 101 9.503 -23.663 7.970 1.00 61.22 ATOM 1687 N THR 102 8.323 -22.256 6.670 1.00 41.25 ATOM 1688 HN THR 102 8.157 -21.919 5.757 1.00 38.14 ATOM 1689 CA THR 102 7.555 -21.702 7.778 1.00 44.15 ATOM 1690 HA THR 102 8.240 -21.181 8.433 1.00 32.34 ATOM 1691 CB THR 102 6.501 -20.694 7.282 1.00 4.31 ATOM 1692 HB THR 102 5.842 -21.183 6.582 1.00 61.21 ATOM 1693 OG1 THR 102 7.143 -19.604 6.611 1.00 5.43 ATOM 1694 HG1 THR 102 7.756 -19.146 7.202 1.00 51.31 ATOM 1695 CG2 THR 102 5.672 -20.164 8.442 1.00 31.11 ATOM 1696 HG21 THR 102 5.134 -19.285 8.119 1.00 41.10 ATOM 1697 HG22 THR 102 6.315 -19.901 9.272 1.00 23.02 ATOM 1698 HG23 THR 102 4.963 -20.915 8.758 1.00 64.30 ATOM 1699 C THR 102 6.857 -22.803 8.567 1.00 0.13 ATOM 1700 O THR 102 7.271 -23.142 9.676 1.00 74.51 ATOM 1701 N SER 103 5.796 -23.358 7.989 1.00 5.24 ATOM 1702 HN SER 103 5.540 -23.099 7.076 1.00 38.14 ATOM 1703 CA SER 103 5.039 -24.419 8.641 1.00 35.34 ATOM 1704 HA SER 103 5.050 -24.247 9.711 1.00 20.15 ATOM 1705 CB SER 103 3.585 -24.404 8.164 1.00 21.11 ATOM 1706 HB1 SER 103 2.941 -24.761 8.953 1.00 38.14 ATOM 1707 HB2 SER 103 3.466 -25.023 7.290 1.00 2.30 ATOM 1708 OG SER 103 3.181 -23.095 7.802 1.00 71.13 ATOM 1709 HG SER 103 2.953 -22.597 8.591 1.00 42.34 ATOM 1710 C SER 103 5.663 -25.783 8.362 1.00 1.03 ATOM 1711 O SER 103 4.995 -26.697 7.881 1.00 72.14 ATOM 1712 N ALA 104 6.950 -25.911 8.669 1.00 71.21 ATOM 1713 HN ALA 104 7.426 -25.168 9.094 1.00 38.14 ATOM 1714 CA ALA 104 7.665 -27.163 8.454 1.00 44.25 ATOM 1715 HA ALA 104 7.428 -27.528 7.461 1.00 32.43 ATOM 1716 CB ALA 104 9.168 -26.929 8.515 1.00 33.20 ATOM 1717 HB1 ALA 104 9.401 -25.991 8.064 1.00 4.35 ATOM 1718 HB2 ALA 104 9.676 -27.718 7.982 1.00 41.50 ATOM 1719 HB3 ALA 104 9.503 -26.918 9.545 1.00 20.55 ATOM 1720 C ALA 104 7.250 -28.216 9.475 1.00 14.32 ATOM 1721 O ALA 104 6.811 -29.307 9.113 1.00 53.45 ATOM 1722 N ALA 105 7.391 -27.882 10.754 1.00 45.54 ATOM 1723 HN ALA 105 7.745 -26.988 10.982 1.00 38.14 ATOM 1724 CA ALA 105 7.029 -28.798 11.827 1.00 22.15 ATOM 1725 HA ALA 105 7.550 -29.734 11.667 1.00 10.34 ATOM 1726 CB ALA 105 7.475 -28.240 13.171 1.00 41.22 ATOM 1727 HB1 ALA 105 7.009 -27.279 13.334 1.00 64.24 ATOM 1728 HB2 ALA 105 8.548 -28.121 13.171 1.00 63.14 ATOM 1729 HB3 ALA 105 7.190 -28.916 13.963 1.00 43.42 ATOM 1730 C ALA 105 5.528 -29.067 11.836 1.00 23.54 ATOM 1731 O ALA 105 5.086 -30.164 12.181 1.00 42.25 ATOM 1732 N PHE 106 4.749 -28.060 11.457 1.00 72.44 ATOM 1733 HN PHE 106 5.153 -27.199 11.199 1.00 38.14 ATOM 1734 CA PHE 106 3.297 -28.188 11.423 1.00 74.44 ATOM 1735 HA PHE 106 2.987 -28.660 12.347 1.00 64.45 ATOM 1736 CB PHE 106 2.644 -26.809 11.305 1.00 65.34 ATOM 1737 HB1 PHE 106 2.553 -26.530 10.260 1.00 38.14 ATOM 1738 HB2 PHE 106 3.274 -26.081 11.801 1.00 50.31 ATOM 1739 CG PHE 106 1.290 -26.730 11.948 1.00 13.23 ATOM 1740 CD1 PHE 106 0.175 -26.375 11.206 1.00 60.24 ATOM 1741 HD1 PHE 106 0.282 -26.154 10.153 1.00 14.01 ATOM 1742 CD2 PHE 106 1.131 -27.010 13.296 1.00 72.12 ATOM 1743 HD2 PHE 106 1.992 -27.288 13.890 1.00 52.21 ATOM 1744 CE1 PHE 106 -1.072 -26.301 11.796 1.00 55.43 ATOM 1745 HE1 PHE 106 -1.933 -26.023 11.206 1.00 44.31 ATOM 1746 CE2 PHE 106 -0.114 -26.937 13.891 1.00 34.54 ATOM 1747 HE2 PHE 106 -0.225 -27.148 14.940 1.00 71.24 ATOM 1748 CZ PHE 106 -1.218 -26.583 13.140 1.00 63.31 ATOM 1749 HZ PHE 106 -2.192 -26.526 13.603 1.00 32.33 ATOM 1750 C PHE 106 2.856 -29.073 10.260 1.00 33.01 ATOM 1751 O PHE 106 2.062 -29.998 10.434 1.00 30.44 ATOM 1752 N THR 107 3.376 -28.781 9.072 1.00 71.52 ATOM 1753 HN THR 107 4.010 -28.028 8.992 1.00 38.14 ATOM 1754 CA THR 107 3.036 -29.548 7.880 1.00 53.33 ATOM 1755 HA THR 107 1.956 -29.619 7.816 1.00 10.10 ATOM 1756 CB THR 107 3.544 -28.854 6.602 1.00 64.11 ATOM 1757 HB THR 107 4.615 -28.741 6.670 1.00 13.52 ATOM 1758 OG1 THR 107 2.946 -27.559 6.476 1.00 22.21 ATOM 1759 HG1 THR 107 3.318 -26.974 7.133 1.00 63.24 ATOM 1760 CG2 THR 107 3.225 -29.688 5.370 1.00 1.40 ATOM 1761 HG21 THR 107 2.181 -29.968 5.376 1.00 43.41 ATOM 1762 HG22 THR 107 3.841 -30.575 5.350 1.00 3.31 ATOM 1763 HG23 THR 107 3.426 -29.101 4.486 1.00 31.43 ATOM 1764 C THR 107 3.617 -30.955 7.946 1.00 25.22 ATOM 1765 O THR 107 3.032 -31.905 7.425 1.00 31.42 ATOM 1766 N LEU 108 4.772 -31.083 8.590 1.00 22.04 ATOM 1767 HN LEU 108 5.207 -30.287 8.975 1.00 38.14 ATOM 1768 CA LEU 108 5.434 -32.376 8.726 1.00 35.30 ATOM 1769 HA LEU 108 5.562 -32.790 7.737 1.00 25.23 ATOM 1770 CB LEU 108 6.801 -32.205 9.389 1.00 1.24 ATOM 1771 HB1 LEU 108 7.046 -33.118 9.908 1.00 38.14 ATOM 1772 HB2 LEU 108 6.720 -31.423 10.131 1.00 71.42 ATOM 1773 CG LEU 108 7.966 -31.880 8.453 1.00 75.51 ATOM 1774 HG LEU 108 7.693 -31.060 7.821 1.00 13.23 ATOM 1775 CD1 LEU 108 9.192 -31.465 9.250 1.00 21.12 ATOM 1776 HD11 LEU 108 9.416 -30.435 9.032 1.00 14.20 ATOM 1777 HD12 LEU 108 10.044 -32.080 8.998 1.00 73.33 ATOM 1778 HD13 LEU 108 9.003 -31.558 10.311 1.00 51.42 ATOM 1779 CD2 LEU 108 8.284 -33.074 7.564 1.00 33.24 ATOM 1780 HD21 LEU 108 9.122 -32.837 6.923 1.00 33.21 ATOM 1781 HD22 LEU 108 7.429 -33.312 6.951 1.00 15.12 ATOM 1782 HD23 LEU 108 8.535 -33.928 8.178 1.00 63.44 ATOM 1783 C LEU 108 4.579 -33.342 9.540 1.00 75.54 ATOM 1784 O LEU 108 4.333 -34.474 9.120 1.00 1.35 ATOM 1785 N ARG 109 4.126 -32.888 10.704 1.00 41.03 ATOM 1786 HN ARG 109 4.359 -31.971 10.988 1.00 38.14 ATOM 1787 CA ARG 109 3.297 -33.712 11.576 1.00 44.25 ATOM 1788 HA ARG 109 3.875 -34.576 11.871 1.00 2.42 ATOM 1789 CB ARG 109 2.903 -32.929 12.829 1.00 1.51 ATOM 1790 HB1 ARG 109 2.407 -32.017 12.528 1.00 38.14 ATOM 1791 HB2 ARG 109 3.804 -32.676 13.372 1.00 63.41 ATOM 1792 CG ARG 109 1.976 -33.694 13.759 1.00 51.11 ATOM 1793 HG1 ARG 109 2.424 -34.647 14.000 1.00 38.14 ATOM 1794 HG2 ARG 109 1.028 -33.853 13.268 1.00 60.50 ATOM 1795 CD ARG 109 1.724 -32.929 15.049 1.00 44.33 ATOM 1796 HD1 ARG 109 2.680 -32.636 15.456 1.00 38.14 ATOM 1797 HD2 ARG 109 1.234 -33.582 15.739 1.00 33.11 ATOM 1798 NE ARG 109 0.911 -31.736 14.828 1.00 72.11 ATOM 1799 HE ARG 109 0.366 -31.695 14.008 1.00 4.11 ATOM 1800 CZ ARG 109 0.863 -30.713 15.673 1.00 15.51 ATOM 1801 NH1 ARG 109 1.578 -30.736 16.789 1.00 14.03 ATOM 1802 HH11 ARG 109 2.147 -31.500 17.015 1.00 43.55 ATOM 1803 HH12 ARG 109 1.542 -29.959 17.408 1.00 64.34 ATOM 1804 NH2 ARG 109 0.098 -29.662 15.402 1.00 21.32 ATOM 1805 HH21 ARG 109 -0.443 -29.634 14.559 1.00 52.04 ATOM 1806 HH22 ARG 109 0.051 -28.899 16.048 1.00 43.31 ATOM 1807 C ARG 109 2.045 -34.187 10.845 1.00 61.30 ATOM 1808 O ARG 109 1.723 -35.376 10.850 1.00 21.02 ATOM 1809 N THR 110 1.341 -33.251 10.217 1.00 51.21 ATOM 1810 HN THR 110 1.649 -32.313 10.246 1.00 38.14 ATOM 1811 CA THR 110 0.123 -33.573 9.484 1.00 64.15 ATOM 1812 HA THR 110 -0.550 -34.086 10.162 1.00 4.40 ATOM 1813 CB THR 110 -0.579 -32.300 8.974 1.00 32.42 ATOM 1814 HB THR 110 0.024 -31.850 8.195 1.00 73.51 ATOM 1815 OG1 THR 110 -0.722 -31.358 10.043 1.00 24.31 ATOM 1816 HG1 THR 110 -1.243 -31.731 10.767 1.00 60.25 ATOM 1817 CG2 THR 110 -1.947 -32.632 8.398 1.00 54.54 ATOM 1818 HG21 THR 110 -1.834 -33.226 7.504 1.00 2.11 ATOM 1819 HG22 THR 110 -2.462 -31.715 8.153 1.00 73.50 ATOM 1820 HG23 THR 110 -2.528 -33.182 9.126 1.00 11.33 ATOM 1821 C THR 110 0.420 -34.485 8.298 1.00 4.35 ATOM 1822 O THR 110 -0.133 -35.579 8.192 1.00 11.32 ATOM 1823 N GLN 111 1.297 -34.027 7.411 1.00 64.01 ATOM 1824 HN GLN 111 1.704 -33.140 7.551 1.00 38.14 ATOM 1825 CA GLN 111 1.667 -34.803 6.233 1.00 3.01 ATOM 1826 HA GLN 111 0.790 -34.912 5.628 1.00 31.14 ATOM 1827 CB GLN 111 2.770 -34.087 5.450 1.00 33.45 ATOM 1828 HB1 GLN 111 3.200 -34.775 4.731 1.00 38.14 ATOM 1829 HB2 GLN 111 3.544 -33.776 6.130 1.00 55.23 ATOM 1830 CG GLN 111 2.278 -32.873 4.680 1.00 43.23 ATOM 1831 HG1 GLN 111 3.077 -32.508 4.052 1.00 38.14 ATOM 1832 HG2 GLN 111 1.996 -32.113 5.383 1.00 31.13 ATOM 1833 CD GLN 111 1.075 -33.181 3.811 1.00 14.40 ATOM 1834 OE1 GLN 111 0.875 -34.320 3.388 1.00 41.43 ATOM 1835 NE2 GLN 111 0.264 -32.164 3.540 1.00 21.34 ATOM 1836 HE21 GLN 111 0.472 -31.274 3.905 1.00 74.01 ATOM 1837 HE22 GLN 111 -0.520 -32.343 2.980 1.00 41.43 ATOM 1838 C GLN 111 2.132 -36.201 6.626 1.00 23.24 ATOM 1839 O GLN 111 1.896 -37.171 5.905 1.00 12.31 ATOM 1840 N TYR 112 2.795 -36.298 7.774 1.00 74.02 ATOM 1841 HN TYR 112 2.973 -35.488 8.307 1.00 38.14 ATOM 1842 CA TYR 112 3.295 -37.578 8.262 1.00 43.54 ATOM 1843 HA TYR 112 3.766 -38.099 7.437 1.00 22.43 ATOM 1844 CB TYR 112 4.339 -37.356 9.357 1.00 24.13 ATOM 1845 HB1 TYR 112 3.914 -36.715 10.119 1.00 38.14 ATOM 1846 HB2 TYR 112 5.198 -36.859 8.925 1.00 22.34 ATOM 1847 CG TYR 112 4.805 -38.634 10.018 1.00 73.34 ATOM 1848 CD1 TYR 112 4.102 -39.186 11.081 1.00 13.25 ATOM 1849 HD1 TYR 112 3.211 -38.689 11.436 1.00 10.50 ATOM 1850 CD2 TYR 112 5.947 -39.291 9.577 1.00 41.14 ATOM 1851 HD2 TYR 112 6.508 -38.881 8.758 1.00 51.15 ATOM 1852 CE1 TYR 112 4.524 -40.353 11.688 1.00 12.00 ATOM 1853 HE1 TYR 112 3.964 -40.776 12.500 1.00 10.13 ATOM 1854 CE2 TYR 112 6.376 -40.459 10.176 1.00 32.42 ATOM 1855 HE2 TYR 112 7.263 -40.946 9.821 1.00 64.55 ATOM 1856 CZ TYR 112 5.661 -40.986 11.232 1.00 61.12 ATOM 1857 OH TYR 112 6.084 -42.150 11.832 1.00 11.34 ATOM 1858 HH TYR 112 6.889 -41.988 12.333 1.00 12.43 ATOM 1859 C TYR 112 2.156 -38.440 8.796 1.00 62.51 ATOM 1860 O TYR 112 1.973 -39.580 8.368 1.00 13.32 ATOM 1861 N MET 113 1.394 -37.888 9.733 1.00 14.34 ATOM 1862 HN MET 113 1.591 -36.970 10.033 1.00 38.14 ATOM 1863 CA MET 113 0.271 -38.605 10.326 1.00 74.33 ATOM 1864 HA MET 113 0.656 -39.498 10.787 1.00 11.41 ATOM 1865 CB MET 113 -0.404 -37.746 11.396 1.00 1.35 ATOM 1866 HB1 MET 113 -1.152 -37.114 10.930 1.00 38.14 ATOM 1867 HB2 MET 113 0.343 -37.114 11.857 1.00 55.14 ATOM 1868 CG MET 113 -1.058 -38.556 12.504 1.00 62.44 ATOM 1869 HG1 MET 113 -0.298 -38.875 13.197 1.00 38.14 ATOM 1870 HG2 MET 113 -1.537 -39.426 12.075 1.00 2.44 ATOM 1871 SD MET 113 -2.303 -37.618 13.409 1.00 2.23 ATOM 1872 CE MET 113 -1.378 -36.141 13.825 1.00 62.34 ATOM 1873 HE1 MET 113 -0.487 -36.414 14.371 1.00 20.41 ATOM 1874 HE2 MET 113 -1.991 -35.497 14.435 1.00 21.23 ATOM 1875 HE3 MET 113 -1.102 -35.617 12.923 1.00 23.43 ATOM 1876 C MET 113 -0.746 -39.000 9.259 1.00 41.20 ATOM 1877 O MET 113 -1.549 -39.911 9.459 1.00 55.10 ATOM 1878 N LYS 114 -0.706 -38.308 8.125 1.00 23.12 ATOM 1879 HN LYS 114 -0.099 -37.543 8.038 1.00 38.14 ATOM 1880 CA LYS 114 -1.622 -38.586 7.026 1.00 72.12 ATOM 1881 HA LYS 114 -2.634 -38.482 7.400 1.00 14.52 ATOM 1882 CB LYS 114 -1.395 -37.595 5.882 1.00 21.01 ATOM 1883 HB1 LYS 114 -1.471 -38.117 4.935 1.00 38.14 ATOM 1884 HB2 LYS 114 -0.408 -37.176 5.962 1.00 12.41 ATOM 1885 CG LYS 114 -2.390 -36.447 5.865 1.00 24.32 ATOM 1886 HG1 LYS 114 -2.277 -35.878 6.777 1.00 38.14 ATOM 1887 HG2 LYS 114 -3.394 -36.848 5.815 1.00 25.14 ATOM 1888 CD LYS 114 -2.156 -35.525 4.681 1.00 53.43 ATOM 1889 HD1 LYS 114 -1.114 -35.241 4.645 1.00 38.14 ATOM 1890 HD2 LYS 114 -2.763 -34.640 4.811 1.00 45.42 ATOM 1891 CE LYS 114 -2.532 -36.196 3.369 1.00 72.03 ATOM 1892 HE1 LYS 114 -3.279 -36.961 3.546 1.00 38.14 ATOM 1893 HE2 LYS 114 -1.653 -36.647 2.952 1.00 11.55 ATOM 1894 NZ LYS 114 -3.077 -35.222 2.383 1.00 14.33 ATOM 1895 HZ1 LYS 114 -2.370 -34.487 2.171 1.00 23.32 ATOM 1896 HZ2 LYS 114 -3.933 -34.765 2.760 1.00 53.52 ATOM 1897 HZ3 LYS 114 -3.324 -35.713 1.500 1.00 72.23 ATOM 1898 C LYS 114 -1.446 -40.014 6.518 1.00 3.41 ATOM 1899 O LYS 114 -2.413 -40.766 6.404 1.00 75.22 ATOM 1900 N TYR 115 -0.205 -40.380 6.216 1.00 31.15 ATOM 1901 HN TYR 115 0.536 -39.740 6.338 1.00 38.14 ATOM 1902 CA TYR 115 0.098 -41.717 5.720 1.00 34.32 ATOM 1903 HA TYR 115 -0.822 -42.191 5.427 1.00 13.33 ATOM 1904 CB TYR 115 1.014 -41.635 4.498 1.00 31.32 ATOM 1905 HB1 TYR 115 1.164 -42.624 4.091 1.00 38.14 ATOM 1906 HB2 TYR 115 1.977 -41.243 4.809 1.00 1.12 ATOM 1907 CG TYR 115 0.485 -40.736 3.404 1.00 73.43 ATOM 1908 CD1 TYR 115 -0.191 -41.265 2.310 1.00 3.52 ATOM 1909 HD1 TYR 115 -0.336 -42.319 2.249 1.00 53.54 ATOM 1910 CD2 TYR 115 0.661 -39.360 3.462 1.00 14.53 ATOM 1911 HD2 TYR 115 1.184 -38.930 4.304 1.00 61.20 ATOM 1912 CE1 TYR 115 -0.676 -40.447 1.307 1.00 25.33 ATOM 1913 HE1 TYR 115 -1.205 -40.873 0.471 1.00 33.30 ATOM 1914 CE2 TYR 115 0.178 -38.535 2.465 1.00 50.31 ATOM 1915 HE2 TYR 115 0.327 -37.468 2.529 1.00 63.53 ATOM 1916 CZ TYR 115 -0.489 -39.083 1.389 1.00 31.25 ATOM 1917 OH TYR 115 -0.970 -38.265 0.393 1.00 12.01 ATOM 1918 HH TYR 115 -1.928 -38.202 0.456 1.00 61.02 ATOM 1919 C TYR 115 0.753 -42.566 6.806 1.00 42.25 ATOM 1920 O TYR 115 0.301 -43.672 7.104 1.00 54.21 ATOM 1921 N LEU 116 1.822 -42.040 7.393 1.00 11.44 ATOM 1922 HN LEU 116 2.131 -41.142 7.121 1.00 38.14 ATOM 1923 CA LEU 116 2.542 -42.747 8.447 1.00 15.31 ATOM 1924 HA LEU 116 2.511 -43.810 8.227 1.00 74.30 ATOM 1925 CB LEU 116 4.007 -42.310 8.472 1.00 24.32 ATOM 1926 HB1 LEU 116 4.522 -42.880 9.237 1.00 38.14 ATOM 1927 HB2 LEU 116 4.029 -41.264 8.762 1.00 32.52 ATOM 1928 CG LEU 116 4.774 -42.456 7.157 1.00 54.51 ATOM 1929 HG LEU 116 4.160 -42.103 6.341 1.00 42.41 ATOM 1930 CD1 LEU 116 6.038 -41.611 7.180 1.00 51.44 ATOM 1931 HD11 LEU 116 6.668 -41.918 7.994 1.00 1.14 ATOM 1932 HD12 LEU 116 5.774 -40.574 7.290 1.00 64.05 ATOM 1933 HD13 LEU 116 6.573 -41.738 6.248 1.00 62.45 ATOM 1934 CD2 LEU 116 5.111 -43.916 6.895 1.00 74.15 ATOM 1935 HD21 LEU 116 5.614 -44.009 5.942 1.00 11.40 ATOM 1936 HD22 LEU 116 4.203 -44.491 6.875 1.00 3.13 ATOM 1937 HD23 LEU 116 5.754 -44.290 7.679 1.00 0.11 ATOM 1938 C LEU 116 1.901 -42.494 9.808 1.00 34.40 ATOM 1939 O LEU 116 1.805 -41.352 10.258 1.00 21.45 ATOM 1940 N TYR 117 1.465 -43.567 10.459 1.00 72.22 ATOM 1941 HN TYR 117 1.636 -44.461 10.078 1.00 38.14 ATOM 1942 CA TYR 117 0.833 -43.462 11.769 1.00 72.34 ATOM 1943 HA TYR 117 1.563 -43.068 12.462 1.00 55.42 ATOM 1944 CB TYR 117 -0.360 -42.507 11.708 1.00 40.45 ATOM 1945 HB1 TYR 117 -0.801 -42.504 10.725 1.00 38.14 ATOM 1946 HB2 TYR 117 0.005 -41.510 11.916 1.00 43.45 ATOM 1947 CG TYR 117 -1.424 -42.800 12.740 1.00 14.04 ATOM 1948 CD1 TYR 117 -2.748 -42.996 12.366 1.00 71.11 ATOM 1949 HD1 TYR 117 -3.020 -42.932 11.323 1.00 71.21 ATOM 1950 CD2 TYR 117 -1.107 -42.880 14.091 1.00 71.13 ATOM 1951 HD2 TYR 117 -0.083 -42.730 14.403 1.00 13.43 ATOM 1952 CE1 TYR 117 -3.724 -43.264 13.306 1.00 13.31 ATOM 1953 HE1 TYR 117 -4.747 -43.413 12.995 1.00 60.43 ATOM 1954 CE2 TYR 117 -2.076 -43.149 15.038 1.00 54.35 ATOM 1955 HE2 TYR 117 -1.809 -43.208 16.083 1.00 2.55 ATOM 1956 CZ TYR 117 -3.383 -43.339 14.640 1.00 34.54 ATOM 1957 OH TYR 117 -4.352 -43.606 15.581 1.00 52.22 ATOM 1958 HH TYR 117 -4.613 -44.531 15.528 1.00 42.45 ATOM 1959 C TYR 117 0.377 -44.831 12.265 1.00 62.11 ATOM 1960 O TYR 117 0.780 -45.300 13.330 1.00 51.41 ATOM 1961 N PRO 118 -0.483 -45.489 11.474 1.00 35.44 ATOM 1962 CA PRO 118 -1.013 -46.814 11.811 1.00 64.42 ATOM 1963 HA PRO 118 -1.458 -46.825 12.796 1.00 41.40 ATOM 1964 CB PRO 118 -2.097 -47.042 10.755 1.00 53.20 ATOM 1965 HB1 PRO 118 -3.037 -46.710 11.154 1.00 38.14 ATOM 1966 HB2 PRO 118 -2.172 -48.086 10.488 1.00 1.34 ATOM 1967 CG PRO 118 -1.685 -46.196 9.600 1.00 11.42 ATOM 1968 HG1 PRO 118 -2.555 -45.896 9.035 1.00 38.14 ATOM 1969 HG2 PRO 118 -0.998 -46.743 8.971 1.00 52.01 ATOM 1970 CD PRO 118 -1.006 -44.991 10.191 1.00 61.20 ATOM 1971 HD1 PRO 118 -1.732 -44.226 10.325 1.00 38.14 ATOM 1972 HD2 PRO 118 -0.234 -44.667 9.527 1.00 14.14 ATOM 1973 C PRO 118 0.052 -47.903 11.724 1.00 12.10 ATOM 1974 O PRO 118 0.008 -48.888 12.462 1.00 41.42 ATOM 1975 N TYR 119 1.007 -47.719 10.819 1.00 33.02 ATOM 1976 HN TYR 119 0.992 -46.916 10.248 1.00 38.14 ATOM 1977 CA TYR 119 2.082 -48.687 10.635 1.00 54.21 ATOM 1978 HA TYR 119 1.634 -49.665 10.568 1.00 52.42 ATOM 1979 CB TYR 119 2.856 -48.382 9.352 1.00 42.13 ATOM 1980 HB1 TYR 119 3.517 -47.538 9.517 1.00 38.14 ATOM 1981 HB2 TYR 119 2.150 -48.124 8.574 1.00 45.41 ATOM 1982 CG TYR 119 3.673 -49.549 8.846 1.00 70.44 ATOM 1983 CD1 TYR 119 5.008 -49.388 8.494 1.00 75.04 ATOM 1984 HD1 TYR 119 5.465 -48.412 8.586 1.00 62.34 ATOM 1985 CD2 TYR 119 3.110 -50.813 8.718 1.00 23.34 ATOM 1986 HD2 TYR 119 2.074 -50.963 8.982 1.00 74.34 ATOM 1987 CE1 TYR 119 5.758 -50.452 8.030 1.00 14.51 ATOM 1988 HE1 TYR 119 6.794 -50.306 7.762 1.00 53.44 ATOM 1989 CE2 TYR 119 3.853 -51.883 8.257 1.00 2.22 ATOM 1990 HE2 TYR 119 3.396 -52.856 8.163 1.00 50.11 ATOM 1991 CZ TYR 119 5.176 -51.697 7.914 1.00 2.12 ATOM 1992 OH TYR 119 5.919 -52.759 7.453 1.00 61.40 ATOM 1993 HH TYR 119 6.540 -53.043 8.131 1.00 2.21 ATOM 1994 C TYR 119 3.031 -48.680 11.829 1.00 20.41 ATOM 1995 O TYR 119 3.566 -49.719 12.215 1.00 5.10 ATOM 1996 N GLU 120 3.233 -47.502 12.410 1.00 44.34 ATOM 1997 HN GLU 120 2.785 -46.698 12.055 1.00 38.14 ATOM 1998 CA GLU 120 4.118 -47.359 13.560 1.00 62.41 ATOM 1999 HA GLU 120 5.040 -47.870 13.332 1.00 61.42 ATOM 2000 CB GLU 120 4.418 -45.882 13.821 1.00 14.23 ATOM 2001 HB1 GLU 120 3.481 -45.350 13.897 1.00 38.14 ATOM 2002 HB2 GLU 120 4.977 -45.482 12.987 1.00 44.04 ATOM 2003 CG GLU 120 5.203 -45.637 15.099 1.00 40.32 ATOM 2004 HG1 GLU 120 4.739 -46.143 15.930 1.00 38.14 ATOM 2005 HG2 GLU 120 5.198 -44.574 15.294 1.00 4.41 ATOM 2006 CD GLU 120 6.647 -46.089 14.992 1.00 55.40 ATOM 2007 OE1 GLU 120 7.543 -45.304 15.368 1.00 55.11 ATOM 2008 OE2 GLU 120 6.880 -47.226 14.533 1.00 43.25 ATOM 2009 C GLU 120 3.500 -47.992 14.803 1.00 20.14 ATOM 2010 O GLU 120 4.198 -48.598 15.617 1.00 64.11 ATOM 2011 N CYS 121 2.187 -47.846 14.943 1.00 22.25 ATOM 2012 HN CYS 121 1.675 -47.348 14.263 1.00 38.14 ATOM 2013 CA CYS 121 1.474 -48.402 16.088 1.00 0.22 ATOM 2014 HA CYS 121 2.100 -48.274 16.965 1.00 33.10 ATOM 2015 CB CYS 121 0.152 -47.663 16.299 1.00 13.12 ATOM 2016 HB1 CYS 121 -0.644 -48.157 15.756 1.00 38.14 ATOM 2017 HB2 CYS 121 0.249 -46.652 15.928 1.00 33.32 ATOM 2018 SG CYS 121 -0.358 -47.541 18.030 1.00 62.12 ATOM 2019 HG CYS 121 -0.837 -46.322 18.230 1.00 72.10 ATOM 2020 C CYS 121 1.213 -49.892 15.895 1.00 53.01 ATOM 2021 O CYS 121 1.120 -50.646 16.863 1.00 55.30 ATOM 2022 N GLU 122 1.094 -50.309 14.638 1.00 10.40 ATOM 2023 HN GLU 122 1.170 -49.665 13.897 1.00 38.14 ATOM 2024 CA GLU 122 0.841 -51.709 14.319 1.00 54.32 ATOM 2025 HA GLU 122 0.128 -52.099 15.037 1.00 34.33 ATOM 2026 CB GLU 122 0.244 -51.835 12.916 1.00 52.14 ATOM 2027 HB1 GLU 122 1.001 -51.583 12.184 1.00 38.14 ATOM 2028 HB2 GLU 122 -0.558 -51.124 12.834 1.00 53.00 ATOM 2029 CG GLU 122 -0.281 -53.226 12.600 1.00 1.42 ATOM 2030 HG1 GLU 122 0.021 -53.919 13.375 1.00 38.14 ATOM 2031 HG2 GLU 122 0.141 -53.551 11.665 1.00 73.13 ATOM 2032 CD GLU 122 -1.793 -53.269 12.496 1.00 50.21 ATOM 2033 OE1 GLU 122 -2.312 -54.136 11.762 1.00 42.35 ATOM 2034 OE2 GLU 122 -2.457 -52.436 13.148 1.00 73.53 ATOM 2035 C GLU 122 2.124 -52.529 14.413 1.00 32.14 ATOM 2036 O GLU 122 2.137 -53.618 14.988 1.00 64.24 ATOM 2037 N LYS 123 3.201 -51.999 13.845 1.00 4.42 ATOM 2038 HN LYS 123 3.134 -51.120 13.400 1.00 38.14 ATOM 2039 CA LYS 123 4.491 -52.679 13.865 1.00 73.23 ATOM 2040 HA LYS 123 4.317 -53.744 13.812 1.00 54.34 ATOM 2041 CB LYS 123 5.339 -52.244 12.667 1.00 14.25 ATOM 2042 HB1 LYS 123 6.368 -52.550 12.826 1.00 38.14 ATOM 2043 HB2 LYS 123 5.314 -51.172 12.589 1.00 34.14 ATOM 2044 CG LYS 123 4.874 -52.833 11.347 1.00 63.21 ATOM 2045 HG1 LYS 123 5.411 -52.345 10.550 1.00 38.14 ATOM 2046 HG2 LYS 123 3.814 -52.643 11.234 1.00 13.25 ATOM 2047 CD LYS 123 5.145 -54.327 11.277 1.00 44.32 ATOM 2048 HD1 LYS 123 5.153 -54.763 12.265 1.00 38.14 ATOM 2049 HD2 LYS 123 6.112 -54.475 10.819 1.00 61.43 ATOM 2050 CE LYS 123 4.097 -55.045 10.441 1.00 41.11 ATOM 2051 HE1 LYS 123 3.762 -54.398 9.642 1.00 38.14 ATOM 2052 HE2 LYS 123 3.259 -55.292 11.075 1.00 10.23 ATOM 2053 NZ LYS 123 4.630 -56.300 9.841 1.00 10.53 ATOM 2054 HZ1 LYS 123 5.439 -56.089 9.220 1.00 71.25 ATOM 2055 HZ2 LYS 123 3.891 -56.765 9.277 1.00 71.33 ATOM 2056 HZ3 LYS 123 4.940 -56.956 10.589 1.00 2.55 ATOM 2057 C LYS 123 5.239 -52.391 15.162 1.00 14.25 ATOM 2058 O LYS 123 5.929 -53.258 15.698 1.00 71.21 ATOM 2059 N ARG 124 5.096 -51.168 15.663 1.00 35.24 ATOM 2060 HN ARG 124 4.546 -50.503 15.194 1.00 38.14 ATOM 2061 CA ARG 124 5.758 -50.766 16.899 1.00 75.33 ATOM 2062 HA ARG 124 6.309 -51.611 17.289 1.00 3.13 ATOM 2063 CB ARG 124 6.718 -49.605 16.633 1.00 33.44 ATOM 2064 HB1 ARG 124 6.555 -48.794 17.331 1.00 38.14 ATOM 2065 HB2 ARG 124 6.538 -49.235 15.639 1.00 42.34 ATOM 2066 CG ARG 124 8.184 -50.000 16.701 1.00 10.14 ATOM 2067 HG1 ARG 124 8.786 -49.156 16.396 1.00 38.14 ATOM 2068 HG2 ARG 124 8.356 -50.827 16.026 1.00 54.50 ATOM 2069 CD ARG 124 8.586 -50.408 18.110 1.00 22.00 ATOM 2070 HD1 ARG 124 7.757 -50.859 18.628 1.00 38.14 ATOM 2071 HD2 ARG 124 8.891 -49.517 18.637 1.00 61.41 ATOM 2072 NE ARG 124 9.690 -51.364 18.109 1.00 61.33 ATOM 2073 HE ARG 124 9.898 -51.828 17.264 1.00 64.22 ATOM 2074 CZ ARG 124 10.421 -51.644 19.182 1.00 44.03 ATOM 2075 NH1 ARG 124 10.167 -51.044 20.336 1.00 11.13 ATOM 2076 HH11 ARG 124 9.430 -50.379 20.429 1.00 4.41 ATOM 2077 HH12 ARG 124 10.727 -51.261 21.139 1.00 23.32 ATOM 2078 NH2 ARG 124 11.409 -52.526 19.101 1.00 24.13 ATOM 2079 HH21 ARG 124 11.606 -52.983 18.231 1.00 40.44 ATOM 2080 HH22 ARG 124 11.962 -52.739 19.909 1.00 1.21 ATOM 2081 C ARG 124 4.735 -50.363 17.957 1.00 21.12 ATOM 2082 O ARG 124 3.529 -50.473 17.743 1.00 14.31 ATOM 2083 N GLY 125 5.227 -49.896 19.101 1.00 63.51 ATOM 2084 HN GLY 125 6.193 -49.845 19.237 1.00 38.14 ATOM 2085 CA GLY 125 4.343 -49.485 20.176 1.00 44.23 ATOM 2086 HA1 GLY 125 4.092 -50.351 20.769 1.00 38.14 ATOM 2087 HA2 GLY 125 3.431 -49.068 19.764 1.00 42.12 ATOM 2088 C GLY 125 4.975 -48.445 21.080 1.00 24.52 ATOM 2089 O GLY 125 4.683 -48.391 22.275 1.00 33.14 ATOM 2090 N LEU 126 5.846 -47.619 20.511 1.00 71.10 ATOM 2091 HN LEU 126 5.988 -47.671 19.540 1.00 38.14 ATOM 2092 CA LEU 126 6.523 -46.577 21.274 1.00 1.34 ATOM 2093 HA LEU 126 7.140 -47.056 22.021 1.00 14.51 ATOM 2094 CB LEU 126 7.418 -45.744 20.355 1.00 3.12 ATOM 2095 HB1 LEU 126 8.012 -45.097 20.986 1.00 38.14 ATOM 2096 HB2 LEU 126 6.781 -45.115 19.745 1.00 23.41 ATOM 2097 CG LEU 126 8.353 -46.531 19.436 1.00 43.30 ATOM 2098 HG LEU 126 7.991 -47.537 19.296 1.00 61.21 ATOM 2099 CD1 LEU 126 8.421 -45.883 18.062 1.00 54.41 ATOM 2100 HD11 LEU 126 7.448 -45.504 17.777 1.00 45.23 ATOM 2101 HD12 LEU 126 8.726 -46.628 17.343 1.00 24.42 ATOM 2102 HD13 LEU 126 9.137 -45.080 18.051 1.00 74.22 ATOM 2103 CD2 LEU 126 9.743 -46.632 20.049 1.00 74.04 ATOM 2104 HD21 LEU 126 10.385 -47.211 19.399 1.00 22.22 ATOM 2105 HD22 LEU 126 9.680 -47.120 21.012 1.00 55.42 ATOM 2106 HD23 LEU 126 10.159 -45.642 20.176 1.00 71.43 ATOM 2107 C LEU 126 5.514 -45.673 21.976 1.00 42.12 ATOM 2108 O LEU 126 5.489 -45.589 23.204 1.00 44.14 ATOM 2109 N SER 127 4.682 -45.000 21.187 1.00 0.04 ATOM 2110 HN SER 127 4.723 -45.122 20.211 1.00 38.14 ATOM 2111 CA SER 127 3.672 -44.101 21.733 1.00 75.04 ATOM 2112 HA SER 127 3.828 -44.001 22.796 1.00 41.41 ATOM 2113 CB SER 127 3.792 -42.716 21.093 1.00 72.51 ATOM 2114 HB1 SER 127 3.525 -41.963 21.803 1.00 38.14 ATOM 2115 HB2 SER 127 3.138 -42.645 20.233 1.00 14.12 ATOM 2116 OG SER 127 5.117 -42.471 20.654 1.00 13.44 ATOM 2117 HG SER 127 5.662 -42.207 21.400 1.00 70.14 ATOM 2118 C SER 127 2.269 -44.658 21.506 1.00 65.40 ATOM 2119 O SER 127 2.087 -45.631 20.775 1.00 41.33 ATOM 2120 N ASN 128 1.282 -44.034 22.140 1.00 71.24 ATOM 2121 HN ASN 128 1.483 -43.283 22.701 1.00 38.14 ATOM 2122 CA ASN 128 -0.105 -44.467 22.008 1.00 25.35 ATOM 2123 HA ASN 128 -0.129 -45.369 21.411 1.00 53.24 ATOM 2124 CB ASN 128 -0.693 -44.786 23.384 1.00 14.12 ATOM 2125 HB1 ASN 128 -1.306 -45.669 23.305 1.00 38.14 ATOM 2126 HB2 ASN 128 -1.307 -43.964 23.733 1.00 23.13 ATOM 2127 CG ASN 128 0.378 -45.064 24.421 1.00 34.12 ATOM 2128 OD1 ASN 128 0.992 -46.131 24.424 1.00 2.33 ATOM 2129 ND2 ASN 128 0.606 -44.103 25.309 1.00 54.34 ATOM 2130 HD21 ASN 128 0.085 -43.270 25.260 1.00 75.35 ATOM 2131 HD22 ASN 128 1.295 -44.265 25.987 1.00 41.12 ATOM 2132 C ASN 128 -0.946 -43.398 21.318 1.00 4.22 ATOM 2133 O ASN 128 -0.585 -42.222 21.274 1.00 4.41 ATOM 2134 N PRO 129 -2.095 -43.814 20.766 1.00 11.13 ATOM 2135 CA PRO 129 -3.012 -42.907 20.069 1.00 32.42 ATOM 2136 HA PRO 129 -2.506 -42.348 19.295 1.00 50.34 ATOM 2137 CB PRO 129 -4.032 -43.855 19.433 1.00 13.01 ATOM 2138 HB1 PRO 129 -3.723 -44.086 18.425 1.00 38.14 ATOM 2139 HB2 PRO 129 -5.018 -43.405 19.413 1.00 22.30 ATOM 2140 CG PRO 129 -4.004 -45.073 20.291 1.00 40.15 ATOM 2141 HG1 PRO 129 -4.278 -45.940 19.708 1.00 38.14 ATOM 2142 HG2 PRO 129 -4.680 -44.951 21.125 1.00 2.43 ATOM 2143 CD PRO 129 -2.588 -45.201 20.781 1.00 73.31 ATOM 2144 HD1 PRO 129 -2.012 -45.825 20.113 1.00 38.14 ATOM 2145 HD2 PRO 129 -2.592 -45.611 21.770 1.00 61.31 ATOM 2146 C PRO 129 -3.706 -41.939 21.022 1.00 60.44 ATOM 2147 O PRO 129 -4.385 -41.009 20.590 1.00 41.13 ATOM 2148 N ASN 130 -3.530 -42.165 22.319 1.00 20.35 ATOM 2149 HN ASN 130 -3.016 -42.938 22.624 1.00 38.14 ATOM 2150 CA ASN 130 -4.140 -41.312 23.333 1.00 23.42 ATOM 2151 HA ASN 130 -5.081 -40.931 22.947 1.00 13.31 ATOM 2152 CB ASN 130 -4.409 -42.113 24.609 1.00 70.43 ATOM 2153 HB1 ASN 130 -4.357 -41.457 25.471 1.00 38.14 ATOM 2154 HB2 ASN 130 -3.658 -42.883 24.719 1.00 54.23 ATOM 2155 CG ASN 130 -5.782 -42.757 24.608 1.00 13.23 ATOM 2156 OD1 ASN 130 -6.799 -42.077 24.750 1.00 43.43 ATOM 2157 ND2 ASN 130 -5.818 -44.075 24.449 1.00 0.31 ATOM 2158 HD21 ASN 130 -4.975 -44.570 24.340 1.00 13.43 ATOM 2159 HD22 ASN 130 -6.697 -44.509 24.446 1.00 22.33 ATOM 2160 C ASN 130 -3.245 -40.118 23.649 1.00 42.20 ATOM 2161 O ASN 130 -3.715 -38.984 23.736 1.00 31.14 ATOM 2162 N GLU 131 -1.953 -40.381 23.818 1.00 21.44 ATOM 2163 HN GLU 131 -1.647 -41.313 23.755 1.00 38.14 ATOM 2164 CA GLU 131 -0.993 -39.328 24.125 1.00 44.45 ATOM 2165 HA GLU 131 -1.389 -38.731 24.937 1.00 21.04 ATOM 2166 CB GLU 131 0.339 -39.935 24.570 1.00 45.41 ATOM 2167 HB1 GLU 131 0.175 -40.495 25.480 1.00 38.14 ATOM 2168 HB2 GLU 131 1.040 -39.135 24.775 1.00 42.21 ATOM 2169 CG GLU 131 0.955 -40.871 23.544 1.00 71.20 ATOM 2170 HG1 GLU 131 1.011 -40.384 22.588 1.00 38.14 ATOM 2171 HG2 GLU 131 0.330 -41.741 23.464 1.00 11.41 ATOM 2172 CD GLU 131 2.350 -41.323 23.930 1.00 70.34 ATOM 2173 OE1 GLU 131 2.555 -42.544 24.090 1.00 64.51 ATOM 2174 OE2 GLU 131 3.236 -40.455 24.071 1.00 45.02 ATOM 2175 C GLU 131 -0.773 -38.423 22.915 1.00 30.50 ATOM 2176 O GLU 131 -0.546 -37.221 23.057 1.00 20.23 ATOM 2177 N LEU 132 -0.842 -39.010 21.725 1.00 24.32 ATOM 2178 HN LEU 132 -1.002 -39.981 21.668 1.00 38.14 ATOM 2179 CA LEU 132 -0.650 -38.259 20.489 1.00 21.04 ATOM 2180 HA LEU 132 0.381 -37.955 20.445 1.00 43.14 ATOM 2181 CB LEU 132 -0.971 -39.139 19.280 1.00 44.43 ATOM 2182 HB1 LEU 132 -1.981 -39.509 19.401 1.00 38.14 ATOM 2183 HB2 LEU 132 -0.297 -39.986 19.296 1.00 14.11 ATOM 2184 CG LEU 132 -0.867 -38.463 17.912 1.00 0.31 ATOM 2185 HG LEU 132 -1.538 -37.629 17.883 1.00 22.40 ATOM 2186 CD1 LEU 132 0.549 -37.962 17.670 1.00 75.11 ATOM 2187 HD11 LEU 132 0.834 -37.265 18.444 1.00 71.14 ATOM 2188 HD12 LEU 132 0.593 -37.459 16.713 1.00 33.55 ATOM 2189 HD13 LEU 132 1.236 -38.796 17.663 1.00 32.12 ATOM 2190 CD2 LEU 132 -1.291 -39.422 16.810 1.00 53.14 ATOM 2191 HD21 LEU 132 -2.310 -39.740 16.979 1.00 5.34 ATOM 2192 HD22 LEU 132 -0.641 -40.287 16.808 1.00 2.23 ATOM 2193 HD23 LEU 132 -1.229 -38.925 15.852 1.00 33.42 ATOM 2194 C LEU 132 -1.525 -37.010 20.470 1.00 1.34 ATOM 2195 O LEU 132 -1.035 -35.902 20.254 1.00 13.52 ATOM 2196 N GLN 133 -2.820 -37.197 20.700 1.00 35.41 ATOM 2197 HN GLN 133 -3.153 -38.112 20.864 1.00 38.14 ATOM 2198 CA GLN 133 -3.763 -36.085 20.711 1.00 41.24 ATOM 2199 HA GLN 133 -3.797 -35.680 19.711 1.00 75.13 ATOM 2200 CB GLN 133 -5.156 -36.573 21.110 1.00 75.13 ATOM 2201 HB1 GLN 133 -5.175 -36.777 22.173 1.00 38.14 ATOM 2202 HB2 GLN 133 -5.368 -37.493 20.580 1.00 31.11 ATOM 2203 CG GLN 133 -6.262 -35.578 20.798 1.00 54.22 ATOM 2204 HG1 GLN 133 -6.015 -34.623 21.243 1.00 38.14 ATOM 2205 HG2 GLN 133 -7.182 -35.943 21.230 1.00 23.13 ATOM 2206 CD GLN 133 -6.475 -35.389 19.309 1.00 44.13 ATOM 2207 OE1 GLN 133 -7.239 -36.122 18.681 1.00 61.31 ATOM 2208 NE2 GLN 133 -5.797 -34.401 18.734 1.00 34.55 ATOM 2209 HE21 GLN 133 -5.199 -33.846 19.285 1.00 24.50 ATOM 2210 HE22 GLN 133 -5.921 -34.263 17.772 1.00 21.42 ATOM 2211 C GLN 133 -3.302 -34.990 21.667 1.00 43.23 ATOM 2212 O GLN 133 -3.263 -33.814 21.307 1.00 51.35 ATOM 2213 N ALA 134 -2.953 -35.385 22.887 1.00 52.31 ATOM 2214 HN ALA 134 -3.008 -36.343 23.119 1.00 38.14 ATOM 2215 CA ALA 134 -2.493 -34.437 23.894 1.00 11.02 ATOM 2216 HA ALA 134 -3.269 -33.697 24.043 1.00 1.34 ATOM 2217 CB ALA 134 -2.263 -35.146 25.220 1.00 31.54 ATOM 2218 HB1 ALA 134 -1.978 -34.425 25.974 1.00 1.11 ATOM 2219 HB2 ALA 134 -1.478 -35.881 25.109 1.00 64.54 ATOM 2220 HB3 ALA 134 -3.174 -35.640 25.524 1.00 73.22 ATOM 2221 C ALA 134 -1.219 -33.730 23.442 1.00 35.52 ATOM 2222 O ALA 134 -1.013 -32.554 23.737 1.00 55.53 ATOM 2223 N ALA 135 -0.368 -34.457 22.726 1.00 23.01 ATOM 2224 HN ALA 135 -0.575 -35.401 22.531 1.00 38.14 ATOM 2225 CA ALA 135 0.885 -33.899 22.233 1.00 62.04 ATOM 2226 HA ALA 135 1.442 -33.515 23.078 1.00 22.34 ATOM 2227 CB ALA 135 1.724 -34.985 21.576 1.00 63.11 ATOM 2228 HB1 ALA 135 1.811 -35.826 22.249 1.00 71.11 ATOM 2229 HB2 ALA 135 2.709 -34.596 21.362 1.00 24.54 ATOM 2230 HB3 ALA 135 1.260 -35.308 20.656 1.00 44.53 ATOM 2231 C ALA 135 0.630 -32.759 21.252 1.00 21.40 ATOM 2232 O ALA 135 1.206 -31.678 21.379 1.00 32.41 ATOM 2233 N ILE 136 -0.235 -33.009 20.275 1.00 41.43 ATOM 2234 HN ILE 136 -0.665 -33.896 20.224 1.00 38.14 ATOM 2235 CA ILE 136 -0.566 -32.003 19.273 1.00 3.41 ATOM 2236 HA ILE 136 0.354 -31.669 18.813 1.00 53.34 ATOM 2237 CB ILE 136 -1.477 -32.581 18.174 1.00 4.30 ATOM 2238 HB ILE 136 -2.370 -32.962 18.650 1.00 33.35 ATOM 2239 CG1 ILE 136 -0.758 -33.705 17.425 1.00 35.43 ATOM 2240 HG11 ILE 136 0.243 -33.837 17.817 1.00 38.14 ATOM 2241 HG12 ILE 136 -0.687 -33.467 16.374 1.00 21.31 ATOM 2242 CG2 ILE 136 -1.905 -31.484 17.210 1.00 22.41 ATOM 2243 HG21 ILE 136 -2.874 -31.118 17.516 1.00 63.21 ATOM 2244 HG22 ILE 136 -1.982 -31.860 16.198 1.00 41.34 ATOM 2245 HG23 ILE 136 -1.209 -30.667 17.233 1.00 62.53 ATOM 2246 CD1 ILE 136 -1.461 -35.041 17.523 1.00 31.33 ATOM 2247 HD11 ILE 136 -2.244 -35.018 18.269 1.00 70.12 ATOM 2248 HD12 ILE 136 -0.740 -35.770 17.801 1.00 25.51 ATOM 2249 HD13 ILE 136 -1.884 -35.300 16.566 1.00 50.44 ATOM 2250 C ILE 136 -1.255 -30.800 19.909 1.00 70.04 ATOM 2251 O ILE 136 -0.857 -29.656 19.690 1.00 44.13 ATOM 2252 N ASP 137 -2.290 -31.067 20.698 1.00 62.14 ATOM 2253 HN ASP 137 -2.566 -32.006 20.830 1.00 38.14 ATOM 2254 CA ASP 137 -3.034 -30.007 21.368 1.00 24.13 ATOM 2255 HA ASP 137 -3.523 -29.412 20.610 1.00 30.20 ATOM 2256 CB ASP 137 -4.097 -30.606 22.290 1.00 1.33 ATOM 2257 HB1 ASP 137 -3.640 -31.360 22.914 1.00 38.14 ATOM 2258 HB2 ASP 137 -4.870 -31.062 21.690 1.00 10.02 ATOM 2259 CG ASP 137 -4.739 -29.565 23.186 1.00 1.32 ATOM 2260 OD1 ASP 137 -5.789 -29.012 22.796 1.00 30.13 ATOM 2261 OD2 ASP 137 -4.192 -29.303 24.278 1.00 63.14 ATOM 2262 C ASP 137 -2.096 -29.108 22.169 1.00 73.14 ATOM 2263 O ASP 137 -2.160 -27.883 22.068 1.00 5.14 ATOM 2264 N SER 138 -1.228 -29.725 22.963 1.00 20.44 ATOM 2265 HN SER 138 -1.228 -30.712 23.004 1.00 38.14 ATOM 2266 CA SER 138 -0.281 -28.981 23.785 1.00 63.01 ATOM 2267 HA SER 138 -0.845 -28.381 24.486 1.00 34.41 ATOM 2268 CB SER 138 0.617 -29.944 24.565 1.00 51.31 ATOM 2269 HB1 SER 138 1.593 -29.499 24.723 1.00 38.14 ATOM 2270 HB2 SER 138 0.737 -30.864 24.014 1.00 63.35 ATOM 2271 OG SER 138 0.063 -30.241 25.835 1.00 24.11 ATOM 2272 HG SER 138 -0.617 -30.913 25.742 1.00 62.51 ATOM 2273 C SER 138 0.574 -28.055 22.925 1.00 51.02 ATOM 2274 O SER 138 0.983 -26.982 23.366 1.00 24.45 ATOM 2275 N ASN 139 0.839 -28.479 21.693 1.00 13.22 ATOM 2276 HN ASN 139 0.512 -29.357 21.399 1.00 38.14 ATOM 2277 CA ASN 139 1.645 -27.689 20.770 1.00 40.31 ATOM 2278 HA ASN 139 2.496 -27.292 21.314 1.00 31.13 ATOM 2279 CB ASN 139 2.145 -28.564 19.619 1.00 73.11 ATOM 2280 HB1 ASN 139 2.220 -27.978 18.710 1.00 38.14 ATOM 2281 HB2 ASN 139 1.459 -29.375 19.455 1.00 10.31 ATOM 2282 CG ASN 139 3.511 -29.161 19.897 1.00 11.32 ATOM 2283 OD1 ASN 139 4.490 -28.837 19.225 1.00 63.50 ATOM 2284 ND2 ASN 139 3.582 -30.037 20.892 1.00 20.04 ATOM 2285 HD21 ASN 139 2.766 -30.257 21.396 1.00 52.24 ATOM 2286 HD22 ASN 139 4.456 -30.434 21.088 1.00 3.33 ATOM 2287 C ASN 139 0.845 -26.512 20.219 1.00 60.33 ATOM 2288 O ASN 139 1.342 -25.388 20.150 1.00 64.33 ATOM 2289 N ARG 140 -0.397 -26.780 19.828 1.00 2.41 ATOM 2290 HN ARG 140 -0.741 -27.698 19.926 1.00 38.14 ATOM 2291 CA ARG 140 -1.266 -25.744 19.282 1.00 3.25 ATOM 2292 HA ARG 140 -0.790 -25.335 18.401 1.00 64.14 ATOM 2293 CB ARG 140 -2.616 -26.340 18.881 1.00 31.31 ATOM 2294 HB1 ARG 140 -3.158 -25.596 18.312 1.00 38.14 ATOM 2295 HB2 ARG 140 -3.179 -26.576 19.777 1.00 40.30 ATOM 2296 CG ARG 140 -2.499 -27.613 18.058 1.00 13.04 ATOM 2297 HG1 ARG 140 -2.600 -28.457 18.718 1.00 38.14 ATOM 2298 HG2 ARG 140 -1.537 -27.650 17.564 1.00 10.42 ATOM 2299 CD ARG 140 -3.592 -27.697 17.004 1.00 20.12 ATOM 2300 HD1 ARG 140 -3.689 -26.739 16.507 1.00 38.14 ATOM 2301 HD2 ARG 140 -4.516 -27.934 17.510 1.00 43.42 ATOM 2302 NE ARG 140 -3.306 -28.718 16.000 1.00 41.34 ATOM 2303 HE ARG 140 -2.372 -29.013 15.896 1.00 13.32 ATOM 2304 CZ ARG 140 -4.234 -29.262 15.220 1.00 23.44 ATOM 2305 NH1 ARG 140 -5.500 -28.886 15.329 1.00 12.34 ATOM 2306 HH11 ARG 140 -5.787 -28.194 15.985 1.00 10.41 ATOM 2307 HH12 ARG 140 -6.192 -29.306 14.737 1.00 43.44 ATOM 2308 NH2 ARG 140 -3.895 -30.186 14.329 1.00 11.45 ATOM 2309 HH21 ARG 140 -2.940 -30.475 14.242 1.00 13.13 ATOM 2310 HH22 ARG 140 -4.593 -30.598 13.740 1.00 61.02 ATOM 2311 C ARG 140 -1.474 -24.621 20.294 1.00 12.41 ATOM 2312 O ARG 140 -1.414 -23.441 19.948 1.00 54.24 ATOM 2313 N ARG 141 -1.720 -24.996 21.545 1.00 24.11 ATOM 2314 HN ARG 141 -1.771 -25.957 21.762 1.00 38.14 ATOM 2315 CA ARG 141 -1.939 -24.021 22.606 1.00 2.24 ATOM 2316 HA ARG 141 -2.865 -23.505 22.398 1.00 2.22 ATOM 2317 CB ARG 141 -2.057 -24.725 23.959 1.00 31.42 ATOM 2318 HB1 ARG 141 -1.207 -25.381 24.084 1.00 38.14 ATOM 2319 HB2 ARG 141 -2.962 -25.318 23.959 1.00 45.13 ATOM 2320 CG ARG 141 -2.103 -23.771 25.141 1.00 3.21 ATOM 2321 HG1 ARG 141 -2.900 -23.057 24.987 1.00 38.14 ATOM 2322 HG2 ARG 141 -1.160 -23.252 25.221 1.00 52.53 ATOM 2323 CD ARG 141 -2.348 -24.512 26.446 1.00 4.33 ATOM 2324 HD1 ARG 141 -1.413 -24.948 26.768 1.00 38.14 ATOM 2325 HD2 ARG 141 -3.076 -25.298 26.285 1.00 3.44 ATOM 2326 NE ARG 141 -2.848 -23.625 27.493 1.00 2.05 ATOM 2327 HE ARG 141 -3.105 -22.708 27.238 1.00 34.21 ATOM 2328 CZ ARG 141 -2.977 -23.989 28.764 1.00 14.45 ATOM 2329 NH1 ARG 141 -2.645 -25.215 29.144 1.00 41.21 ATOM 2330 HH11 ARG 141 -2.296 -25.886 28.493 1.00 31.51 ATOM 2331 HH12 ARG 141 -2.745 -25.479 30.106 1.00 53.32 ATOM 2332 NH2 ARG 141 -3.440 -23.125 29.659 1.00 1.32 ATOM 2333 HH21 ARG 141 -3.693 -22.197 29.379 1.00 73.41 ATOM 2334 HH22 ARG 141 -3.539 -23.397 30.619 1.00 32.32 ATOM 2335 C ARG 141 -0.805 -23.000 22.650 1.00 71.43 ATOM 2336 O ARG 141 -1.043 -21.794 22.617 1.00 4.54 ATOM 2337 N GLU 142 0.427 -23.495 22.724 1.00 53.24 ATOM 2338 HN GLU 142 0.553 -24.474 22.750 1.00 38.14 ATOM 2339 CA GLU 142 1.596 -22.625 22.773 1.00 64.42 ATOM 2340 HA GLU 142 1.558 -22.082 23.711 1.00 11.31 ATOM 2341 CB GLU 142 2.880 -23.457 22.720 1.00 51.42 ATOM 2342 HB1 GLU 142 3.665 -22.887 22.235 1.00 38.14 ATOM 2343 HB2 GLU 142 2.694 -24.350 22.137 1.00 63.21 ATOM 2344 CG GLU 142 3.394 -23.870 24.088 1.00 22.24 ATOM 2345 HG1 GLU 142 2.568 -24.247 24.678 1.00 38.14 ATOM 2346 HG2 GLU 142 3.815 -23.004 24.575 1.00 22.13 ATOM 2347 CD GLU 142 4.461 -24.945 24.010 1.00 30.14 ATOM 2348 OE1 GLU 142 5.526 -24.681 23.414 1.00 1.32 ATOM 2349 OE2 GLU 142 4.231 -26.050 24.545 1.00 40.13 ATOM 2350 C GLU 142 1.578 -21.623 21.622 1.00 63.50 ATOM 2351 O GLU 142 1.310 -21.982 20.476 1.00 22.42 ATOM 2352 N GLY 143 1.865 -20.364 21.937 1.00 44.12 ATOM 2353 HN GLY 143 2.063 -20.127 22.874 1.00 38.14 ATOM 2354 CA GLY 143 1.876 -19.329 20.920 1.00 42.04 ATOM 2355 HA1 GLY 143 0.867 -18.967 20.784 1.00 38.14 ATOM 2356 HA2 GLY 143 2.224 -19.746 19.981 1.00 33.24 ATOM 2357 C GLY 143 2.781 -18.168 21.283 1.00 71.31 ATOM 2358 O GLY 143 4.005 -18.293 21.251 1.00 62.33 ATOM 2359 N ARG 144 2.178 -17.035 21.628 1.00 72.41 ATOM 2360 HN ARG 144 1.193 -16.986 21.625 1.00 38.14 ATOM 2361 CA ARG 144 2.938 -15.847 21.996 1.00 55.32 ATOM 2362 HA ARG 144 3.940 -16.142 22.290 1.00 14.42 ATOM 2363 CB ARG 144 3.023 -14.883 20.811 1.00 64.34 ATOM 2364 HB1 ARG 144 3.067 -13.865 21.170 1.00 38.14 ATOM 2365 HB2 ARG 144 2.131 -14.991 20.208 1.00 5.32 ATOM 2366 CG ARG 144 4.224 -15.129 19.911 1.00 31.54 ATOM 2367 HG1 ARG 144 4.035 -16.004 19.307 1.00 38.14 ATOM 2368 HG2 ARG 144 5.102 -15.292 20.521 1.00 21.33 ATOM 2369 CD ARG 144 4.485 -13.945 18.994 1.00 71.10 ATOM 2370 HD1 ARG 144 3.626 -13.828 18.347 1.00 38.14 ATOM 2371 HD2 ARG 144 5.360 -14.156 18.396 1.00 44.23 ATOM 2372 NE ARG 144 4.706 -12.711 19.743 1.00 62.01 ATOM 2373 HE ARG 144 4.936 -12.786 20.699 1.00 12.34 ATOM 2374 CZ ARG 144 4.622 -11.500 19.205 1.00 51.45 ATOM 2375 NH1 ARG 144 4.322 -11.360 17.920 1.00 24.55 ATOM 2376 HH11 ARG 144 4.157 -12.147 17.332 1.00 72.13 ATOM 2377 HH12 ARG 144 4.258 -10.441 17.526 1.00 63.02 ATOM 2378 NH2 ARG 144 4.837 -10.424 19.951 1.00 0.02 ATOM 2379 HH21 ARG 144 5.063 -10.522 20.922 1.00 52.14 ATOM 2380 HH22 ARG 144 4.774 -9.509 19.546 1.00 15.12 ATOM 2381 C ARG 144 2.302 -15.144 23.192 1.00 53.45 ATOM 2382 O ARG 144 1.273 -15.581 23.706 1.00 33.35 ATOM 2383 N ARG 145 2.922 -14.052 23.628 1.00 31.20 ATOM 2384 HN ARG 145 3.759 -13.765 23.192 1.00 38.14 ATOM 2385 HA ARG 145 2.425 -13.936 25.631 1.00 13.34 ATOM 2386 CB ARG 145 3.321 -12.086 25.039 1.00 64.32 ATOM 2387 HB1 ARG 145 4.316 -12.452 25.250 1.00 38.14 ATOM 2388 HB2 ARG 145 2.959 -11.562 25.915 1.00 24.42 ATOM 2389 CG ARG 145 3.419 -11.118 23.871 1.00 75.30 ATOM 2390 HG1 ARG 145 3.243 -11.639 22.939 1.00 38.14 ATOM 2391 HG2 ARG 145 4.414 -10.699 23.855 1.00 61.45 ATOM 2392 CD ARG 145 2.407 -9.990 23.997 1.00 4.54 ATOM 2393 HD1 ARG 145 1.533 -10.338 24.524 1.00 38.14 ATOM 2394 HD2 ARG 145 2.119 -9.678 23.004 1.00 12.34 ATOM 2395 NE ARG 145 2.959 -8.837 24.704 1.00 3.14 ATOM 2396 HE ARG 145 3.936 -8.795 24.827 1.00 35.11 ATOM 2397 CZ ARG 145 2.218 -7.844 25.183 1.00 33.44 ATOM 2398 NH1 ARG 145 0.901 -7.864 25.032 1.00 34.15 ATOM 2399 HH11 ARG 145 0.439 -8.611 24.560 1.00 50.14 ATOM 2400 HH12 ARG 145 0.351 -7.111 25.400 1.00 23.02 ATOM 2401 NH2 ARG 145 2.793 -6.830 25.815 1.00 4.44 ATOM 2402 HH21 ARG 145 3.788 -6.809 25.933 1.00 0.53 ATOM 2403 HH22 ARG 145 2.235 -6.080 26.177 1.00 34.34 ATOM 2404 CA ARG 145 2.418 -13.290 24.764 1.00 52.32 ATOM 2405 C ARG 145 0.988 -12.819 24.511 1.00 25.14 ATOM 2406 OT1 ARG 145 0.169 -12.900 25.451 1.00 38.14 ATOM 2407 OT2 ARG 145 0.689 -12.384 23.376 1.00 38.14 ATOM 2408 OH2 TIP3 1 -4.238 -49.050 -19.003 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -4.038 -48.626 -19.838 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -3.582 -48.707 -18.396 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -8.573 -50.582 -8.578 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -7.953 -51.259 -8.851 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -8.781 -50.800 -7.670 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -5.172 -53.847 -6.442 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -6.114 -53.789 -6.281 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -4.896 -52.941 -6.579 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -6.920 -52.066 -9.817 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -6.495 -52.773 -10.302 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -6.603 -51.265 -10.234 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -4.075 -55.599 -2.831 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -3.935 -56.190 -3.570 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -3.907 -54.726 -3.187 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -2.233 -59.259 -4.765 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -2.885 -58.564 -4.676 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -1.768 -59.049 -5.575 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -6.299 -60.253 -3.039 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -6.219 -59.490 -2.467 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -6.900 -59.974 -3.730 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -7.875 -53.525 -5.857 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -8.116 -52.863 -5.209 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -8.073 -54.359 -5.432 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -10.541 -53.344 -2.378 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -10.454 -52.518 -1.903 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -11.405 -53.674 -2.129 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -4.368 -61.425 -0.774 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -4.775 -60.944 -1.494 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -4.327 -62.330 -1.081 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -4.290 -57.435 -4.916 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -3.648 -56.978 -5.459 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -5.120 -57.322 -5.378 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -9.920 -56.384 -2.465 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -10.266 -56.765 -1.659 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -10.120 -55.450 -2.394 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -7.670 -53.922 -2.515 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -8.571 -53.739 -2.783 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -7.636 -53.663 -1.594 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -11.998 -51.943 -4.637 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -11.635 -51.088 -4.870 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -11.466 -52.235 -3.896 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -8.454 -55.844 -4.936 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -8.880 -56.071 -4.110 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -7.873 -56.582 -5.119 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -1.747 -50.435 -15.661 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -1.004 -49.849 -15.801 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -2.442 -49.867 -15.328 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -4.525 -51.038 -6.500 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -4.681 -50.360 -7.157 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -3.593 -50.966 -6.297 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -14.214 -51.448 1.348 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -13.446 -51.907 1.689 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -14.235 -51.674 0.418 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -12.249 -56.587 0.115 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -12.577 -56.316 -0.743 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -12.097 -57.528 0.027 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -6.514 -56.671 -2.502 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -5.769 -56.083 -2.622 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -7.271 -56.089 -2.439 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -9.105 -57.877 0.754 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -8.152 -57.793 0.726 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -9.265 -58.588 1.373 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -7.375 -61.369 1.319 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -7.183 -62.300 1.208 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -6.518 -60.944 1.309 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -6.059 -58.580 -0.603 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -6.340 -57.871 -1.181 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -5.116 -58.653 -0.754 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -1.809 -50.388 -6.271 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -1.831 -50.203 -5.332 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -1.119 -49.819 -6.612 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -2.341 -55.936 -6.425 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -1.507 -56.314 -6.706 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -2.229 -54.993 -6.544 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -3.457 -58.230 -1.171 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -2.874 -58.964 -0.980 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -2.893 -57.458 -1.125 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -1.960 -60.327 -0.487 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -2.823 -60.706 -0.652 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -1.356 -61.066 -0.561 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -5.071 -50.298 -10.699 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -4.418 -50.645 -11.307 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -4.560 -49.809 -10.053 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -10.421 -50.995 -0.938 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -10.236 -51.329 -0.060 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -9.574 -50.686 -1.260 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -10.152 -49.650 -5.644 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -10.609 -49.121 -6.298 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -9.989 -49.047 -4.919 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -3.091 -50.518 -12.691 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -3.285 -51.266 -13.256 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -3.130 -49.760 -13.275 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -8.323 -57.881 8.345 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -8.234 -56.937 8.213 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -8.962 -58.156 7.687 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -5.684 -55.687 10.066 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -6.125 -56.407 10.516 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -5.697 -54.966 10.696 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -4.075 -55.599 16.025 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -3.935 -56.190 15.286 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -3.907 -54.726 15.669 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -9.602 -58.637 5.797 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -10.314 -58.102 5.446 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -8.911 -58.581 5.137 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -9.548 -60.179 2.836 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -8.847 -60.157 3.487 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -9.246 -60.807 2.180 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -2.233 -59.259 14.091 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -2.885 -58.564 14.180 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -1.768 -59.049 13.281 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -6.196 -58.427 6.749 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -6.928 -58.199 7.322 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -5.749 -59.141 7.204 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -13.184 -54.369 11.313 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -13.279 -54.947 10.556 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -12.455 -54.740 11.809 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -7.875 -53.525 12.999 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -8.116 -52.863 13.647 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -8.073 -54.359 13.424 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -7.325 -59.265 4.434 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -6.746 -59.115 5.181 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -6.911 -58.794 3.711 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -16.473 -50.783 8.065 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -16.321 -51.131 8.944 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -17.324 -51.139 7.810 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -4.238 -49.050 18.709 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -4.038 -48.626 17.874 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -3.582 -48.707 19.316 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -11.440 -56.568 5.154 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -12.184 -57.075 4.831 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -11.574 -56.519 6.100 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -4.290 -57.435 13.940 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -3.648 -56.978 13.397 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -5.120 -57.322 13.478 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -6.824 -61.887 5.014 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -5.932 -62.024 5.333 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -6.767 -61.096 4.477 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -7.670 -53.922 16.341 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -8.571 -53.739 16.073 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -7.636 -53.663 17.262 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -1.939 -61.677 4.708 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -2.493 -62.073 4.036 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -1.838 -60.767 4.431 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -1.975 -55.877 17.545 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -2.827 -55.639 17.178 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -1.385 -55.894 16.792 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -6.483 -58.083 12.195 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -7.411 -58.315 12.168 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -6.032 -58.860 11.865 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -13.940 -53.755 8.328 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -13.413 -52.982 8.127 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -14.820 -53.530 8.026 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -12.513 -56.092 7.904 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -12.754 -55.167 7.946 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -13.253 -56.551 8.300 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -11.998 -51.943 14.219 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -11.635 -51.088 13.986 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -11.466 -52.235 14.960 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -13.829 -51.070 7.449 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -14.779 -50.965 7.501 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -13.478 -50.250 7.794 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -8.454 -55.844 13.920 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -8.880 -56.071 14.746 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -7.873 -56.582 13.737 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -5.795 -51.292 16.389 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -6.397 -51.847 15.894 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -5.514 -50.625 15.763 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -12.160 -53.803 1.441 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -11.921 -54.551 0.893 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -12.429 -54.191 2.273 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -13.223 -54.233 3.897 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -13.076 -54.753 4.687 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -13.226 -53.326 4.203 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -13.147 -51.492 4.628 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -12.986 -50.692 4.127 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -13.344 -51.185 5.513 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -5.612 -60.294 10.734 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -6.409 -60.709 10.405 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -5.167 -60.985 11.225 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -7.637 -53.068 18.933 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -7.988 -53.924 19.176 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -6.911 -52.925 19.540 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -9.211 -55.166 1.406 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -9.479 -54.986 2.307 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -9.417 -56.092 1.275 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -6.514 -56.671 16.354 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -5.769 -56.083 16.234 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -7.271 -56.089 16.417 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -12.445 -49.307 3.240 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -11.512 -49.149 3.384 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -12.709 -48.632 2.615 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -3.795 -55.031 20.145 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -4.661 -55.136 20.539 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -3.419 -54.272 20.592 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -2.100 -58.721 7.483 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -2.826 -59.200 7.881 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -1.519 -58.515 8.215 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -3.483 -61.580 2.425 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -3.386 -60.913 1.745 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -3.623 -62.396 1.943 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -4.313 -60.200 8.046 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -4.463 -61.145 8.026 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -4.667 -59.919 8.890 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -3.457 -58.230 17.685 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -2.874 -58.964 17.876 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -2.893 -57.458 17.731 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -4.603 -62.617 6.508 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -4.323 -63.524 6.633 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -3.844 -62.183 6.119 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -3.962 -61.299 14.720 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -4.805 -61.031 15.086 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -3.519 -60.477 14.509 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -8.076 -49.710 17.162 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -7.399 -50.342 16.922 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -7.754 -49.308 17.970 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -10.152 -49.650 13.212 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -10.609 -49.121 12.558 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -9.989 -49.047 13.937 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -7.825 -50.772 14.157 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -8.729 -50.607 13.891 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -7.396 -49.919 14.091 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -15.774 -51.805 10.572 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -15.993 -52.721 10.741 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -14.950 -51.665 11.038 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -13.237 -51.335 11.420 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -13.024 -52.223 11.133 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -13.172 -51.369 12.375 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -3.873 -51.767 18.315 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -4.655 -51.953 17.795 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -3.945 -50.838 18.532 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -2.437 -53.149 21.480 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -2.364 -52.210 21.650 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -1.532 -53.454 21.423 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -10.127 -49.572 25.140 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -10.202 -49.693 24.194 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -10.094 -48.622 25.259 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -7.025 -50.418 22.143 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -6.650 -51.162 21.672 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -7.021 -50.688 23.061 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -7.356 -50.492 24.892 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -8.291 -50.392 25.071 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -7.076 -51.201 25.470 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -1.747 -50.435 22.051 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -1.004 -49.849 21.911 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -2.442 -49.867 22.384 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -5.518 -52.123 20.669 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -5.235 -52.917 21.122 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -4.778 -51.890 20.108 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -5.071 -50.298 27.013 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -4.418 -50.645 26.405 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -4.560 -49.809 27.659 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -9.800 -50.081 22.341 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -8.934 -49.715 22.163 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -10.047 -50.521 21.528 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -3.091 -50.518 25.021 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -3.285 -51.266 24.456 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -3.130 -49.760 24.437 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -7.860 -42.943 -25.214 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -7.717 -43.890 -25.194 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -7.966 -42.736 -26.143 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -1.946 -44.258 -22.445 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -2.635 -43.600 -22.540 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -1.931 -44.455 -21.508 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -4.075 -36.743 -21.687 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -3.935 -37.334 -22.426 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -3.907 -35.870 -22.043 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -2.233 -40.403 -23.621 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -2.885 -39.708 -23.532 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -1.768 -40.193 -24.431 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -6.299 -41.397 -21.895 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -6.219 -40.634 -21.323 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -6.900 -41.118 -22.586 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -1.520 -34.062 -20.110 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -1.569 -35.017 -20.147 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -2.346 -33.794 -19.708 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -10.541 -34.488 -21.234 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -10.454 -33.662 -20.759 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -11.405 -34.818 -20.985 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -6.611 -44.237 -21.409 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -7.125 -44.363 -20.612 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -6.766 -43.325 -21.654 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -8.708 -41.028 -23.328 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -8.384 -41.659 -23.971 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -9.148 -41.563 -22.667 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -4.290 -38.579 -23.772 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -3.648 -38.122 -24.315 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -5.120 -38.466 -24.234 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -9.920 -37.528 -21.321 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -10.266 -37.909 -20.515 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -10.120 -36.594 -21.250 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -12.290 -40.439 -19.261 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -12.586 -40.605 -20.156 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -11.359 -40.659 -19.271 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -7.670 -35.066 -21.371 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -8.571 -34.883 -21.639 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -7.636 -34.807 -20.450 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -6.483 -39.227 -25.517 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -7.411 -39.459 -25.544 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -6.032 -40.004 -25.847 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -8.454 -36.988 -23.792 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -8.880 -37.215 -22.966 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -7.873 -37.726 -23.975 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -5.795 -32.436 -21.323 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -6.397 -32.991 -21.818 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -5.514 -31.769 -21.949 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -8.938 -45.462 -23.026 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -8.240 -45.388 -22.376 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -9.319 -46.326 -22.871 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -10.418 -43.096 -21.909 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -10.299 -42.522 -21.152 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -9.763 -43.784 -21.794 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -4.214 -45.189 -21.074 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -5.130 -44.926 -21.162 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -3.878 -45.192 -21.971 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -7.637 -34.212 -18.779 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -7.988 -35.068 -18.536 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -6.911 -34.069 -18.172 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -12.249 -37.731 -18.741 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -12.577 -37.460 -19.599 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -12.097 -38.672 -18.829 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -11.791 -40.328 -22.565 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -11.040 -40.484 -23.138 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -12.130 -39.476 -22.841 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -11.303 -43.989 -18.810 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -11.539 -44.209 -17.908 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -12.086 -44.196 -19.319 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -8.587 -44.862 -19.734 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -9.535 -44.830 -19.602 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -8.275 -45.487 -19.080 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -6.953 -46.228 -17.729 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -7.050 -47.180 -17.735 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -7.275 -45.959 -16.868 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -2.341 -37.080 -25.281 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -1.507 -37.458 -25.562 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -2.229 -36.137 -25.400 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -3.854 -34.202 -22.974 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -4.502 -33.877 -22.349 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -4.372 -34.642 -23.649 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -3.962 -42.443 -22.992 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -4.805 -42.175 -22.626 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -3.519 -41.621 -23.203 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -1.679 -48.463 -17.638 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -1.329 -49.117 -18.244 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -1.532 -47.626 -18.078 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -2.159 -46.354 -19.289 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -3.076 -46.083 -19.325 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -2.036 -46.889 -20.073 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -7.049 -48.984 -18.090 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -6.973 -49.410 -17.236 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -6.156 -48.970 -18.432 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -3.873 -32.911 -19.397 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -4.655 -33.097 -19.917 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -3.945 -31.982 -19.180 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -8.323 -39.025 -10.511 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -8.234 -38.081 -10.643 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -8.962 -39.300 -11.169 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -8.573 -31.726 -8.578 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -7.953 -32.403 -8.851 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -8.781 -31.944 -7.670 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -11.001 -37.337 -6.686 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -10.697 -38.023 -7.280 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -10.279 -37.219 -6.068 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -6.983 -44.711 -10.685 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -6.337 -45.040 -10.060 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -6.473 -44.193 -11.308 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -12.929 -40.895 -9.108 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -12.313 -41.421 -8.599 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -13.515 -41.535 -9.512 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -8.526 -36.424 -11.468 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -8.822 -36.746 -12.319 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -8.850 -35.524 -11.426 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -13.326 -38.248 -4.724 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -14.066 -37.650 -4.621 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -12.612 -37.694 -5.040 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -5.219 -45.420 -8.704 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -5.434 -46.186 -8.172 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -4.563 -44.948 -8.191 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -11.869 -48.618 -7.559 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -11.986 -49.567 -7.613 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -12.724 -48.286 -7.286 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -6.920 -33.210 -9.817 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -6.495 -33.917 -10.302 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -6.603 -32.409 -10.234 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -5.761 -35.309 -11.308 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -6.018 -35.999 -11.920 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -5.690 -35.752 -10.463 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -9.602 -39.781 -13.059 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -10.314 -39.246 -13.410 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -8.911 -39.725 -13.719 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -6.196 -39.571 -12.107 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -6.928 -39.343 -11.534 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -5.749 -40.285 -11.652 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -14.184 -40.172 -6.591 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -13.619 -40.051 -7.354 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -13.865 -39.535 -5.952 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -7.875 -34.669 -5.857 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -8.116 -34.007 -5.209 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -8.073 -35.503 -5.432 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -9.599 -33.672 -10.987 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -9.125 -33.377 -10.209 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -10.162 -32.934 -11.220 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -3.627 -48.659 -14.609 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -4.526 -48.520 -14.314 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -3.375 -47.828 -15.011 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -10.541 -34.488 -2.378 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -10.454 -33.662 -1.903 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -11.405 -34.818 -2.129 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -9.937 -47.993 -3.407 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -9.517 -48.408 -2.654 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -10.870 -48.171 -3.290 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -10.275 -45.500 -16.122 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -10.529 -45.481 -15.199 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -10.532 -46.372 -16.423 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -8.976 -42.112 -11.957 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -9.385 -41.297 -12.249 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -8.256 -42.252 -12.572 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -9.874 -41.937 -0.469 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -10.437 -42.641 -0.149 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -9.048 -42.057 -0.002 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -7.972 -42.666 -9.143 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -8.167 -42.061 -9.858 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -7.790 -43.500 -9.578 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -13.393 -45.055 -17.021 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -13.824 -45.500 -16.291 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -14.111 -44.683 -17.533 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -7.525 -45.866 -6.424 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -8.202 -45.735 -5.760 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -8.011 -46.021 -7.234 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -4.238 -30.194 -0.147 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -4.038 -29.770 -0.982 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -3.582 -29.851 0.460 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -10.610 -42.313 -7.801 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -10.046 -42.860 -8.348 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -10.758 -42.835 -7.012 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -11.984 -43.925 -5.387 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -12.819 -43.471 -5.277 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -11.460 -43.649 -4.635 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -11.440 -37.712 -13.702 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -12.184 -38.219 -14.025 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -11.574 -37.663 -12.756 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -7.542 -44.898 -15.503 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -8.480 -44.786 -15.654 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -7.245 -44.041 -15.197 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -9.920 -37.528 -2.465 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -10.266 -37.909 -1.659 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -10.120 -36.594 -2.394 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -6.824 -43.031 -13.842 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -5.932 -43.168 -13.523 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -6.767 -42.240 -14.379 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -9.314 -36.253 -14.677 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -9.609 -35.427 -14.295 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -10.017 -36.873 -14.481 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -12.290 -40.439 -0.405 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -12.586 -40.605 -1.300 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -11.359 -40.659 -0.415 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -3.643 -34.035 -13.683 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -4.016 -34.861 -13.373 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -3.366 -34.218 -14.580 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -11.998 -33.087 -4.637 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -11.635 -32.232 -4.870 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -11.466 -33.379 -3.896 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -6.251 -36.059 -15.862 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -5.898 -36.439 -15.058 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -7.200 -36.152 -15.776 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -1.747 -31.579 -15.661 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -1.004 -30.993 -15.801 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -2.442 -31.011 -15.328 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -5.385 -37.386 -13.636 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -5.662 -38.114 -13.080 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -4.458 -37.267 -13.430 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -12.160 -34.947 -17.415 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -11.921 -35.695 -17.963 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -12.429 -35.335 -16.583 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -8.938 -45.462 -4.170 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -8.240 -45.388 -3.520 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -9.319 -46.326 -4.015 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -8.154 -45.810 -13.073 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -7.934 -45.338 -13.876 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -7.596 -45.415 -12.402 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -10.954 -44.082 -12.238 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -10.142 -43.578 -12.192 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -11.199 -44.227 -11.324 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -10.418 -43.096 -3.053 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -10.299 -42.522 -2.296 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -9.763 -43.784 -2.938 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -7.637 -34.212 0.077 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -7.988 -35.068 0.320 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -6.911 -34.069 0.684 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -5.518 -33.267 -17.043 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -5.235 -34.061 -16.590 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -4.778 -33.034 -17.604 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -12.249 -37.731 0.115 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -12.577 -37.460 -0.743 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -12.097 -38.672 0.027 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -9.211 -36.310 -17.450 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -9.479 -36.130 -16.549 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -9.417 -37.236 -17.581 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -13.414 -39.385 -14.880 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -13.873 -39.869 -14.194 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -13.159 -40.053 -15.516 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -14.125 -41.492 -2.524 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -14.743 -40.817 -2.243 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -13.781 -41.171 -3.357 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -12.343 -41.142 -16.617 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -12.523 -41.296 -17.545 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -11.392 -41.034 -16.573 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -9.105 -39.021 0.754 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -8.152 -38.937 0.726 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -9.265 -39.732 1.373 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -13.785 -44.137 -1.441 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -13.635 -44.866 -2.044 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -13.783 -43.360 -2.000 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -13.373 -45.767 -3.949 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -12.837 -45.316 -4.601 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -14.225 -45.875 -4.371 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -11.791 -40.328 -3.709 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -11.040 -40.484 -4.282 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -12.130 -39.476 -3.985 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -12.567 -48.311 -3.517 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -12.665 -47.364 -3.623 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -13.310 -48.683 -3.993 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -11.303 -43.989 0.046 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -11.539 -44.209 0.948 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -12.086 -44.196 -0.463 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -12.345 -49.017 -0.846 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -11.633 -49.657 -0.860 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -12.446 -48.750 -1.760 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -11.992 -47.334 1.208 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -12.123 -47.810 0.387 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -12.591 -46.590 1.152 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -2.123 -46.431 -15.771 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -1.710 -47.152 -16.247 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -1.441 -45.761 -15.713 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -5.071 -31.442 -10.699 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -4.418 -31.789 -11.307 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -4.560 -30.953 -10.053 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -10.421 -32.139 -0.938 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -10.236 -32.473 -0.060 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -9.574 -31.830 -1.260 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -8.076 -30.854 -1.694 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -7.399 -31.486 -1.934 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -7.754 -30.452 -0.886 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -10.152 -30.794 -5.644 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -10.609 -30.265 -6.298 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -9.989 -30.191 -4.919 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -7.825 -31.916 -4.699 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -8.729 -31.751 -4.965 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -7.396 -31.063 -4.765 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -9.728 -46.815 -8.291 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -10.403 -47.444 -8.036 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -9.164 -47.299 -8.894 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -4.586 -48.708 -8.179 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -3.982 -48.160 -8.680 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -5.455 -48.388 -8.419 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -7.265 -48.224 -9.007 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -7.189 -48.129 -9.956 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -7.541 -49.132 -8.878 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -5.912 -48.198 -13.314 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -6.615 -47.584 -13.524 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -6.357 -49.036 -13.183 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -3.091 -31.662 -12.691 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -3.285 -32.410 -13.256 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -3.130 -30.904 -13.275 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -15.471 -48.316 0.584 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -14.572 -48.590 0.399 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -15.857 -49.059 1.048 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -8.323 -39.025 8.345 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -8.234 -38.081 8.213 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -8.962 -39.300 7.687 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -9.390 -39.770 11.764 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -9.428 -40.416 12.469 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -9.713 -40.236 10.993 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -5.684 -36.831 10.066 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -6.125 -37.551 10.516 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -5.697 -36.110 10.696 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -8.573 -31.726 10.278 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -7.953 -32.403 10.005 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -8.781 -31.944 11.186 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -11.001 -37.337 12.170 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -10.697 -38.023 11.576 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -10.279 -37.219 12.788 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -14.705 -44.842 9.770 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -14.662 -43.982 9.352 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -15.163 -45.394 9.137 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -12.929 -40.895 9.748 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -12.313 -41.421 10.257 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -13.515 -41.535 9.344 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -8.526 -36.424 7.388 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -8.822 -36.746 6.537 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -8.850 -35.524 7.430 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -13.326 -38.248 14.132 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -14.066 -37.650 14.235 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -12.612 -37.694 13.816 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -5.172 -34.991 12.414 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -6.114 -34.933 12.575 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -4.896 -34.085 12.277 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -11.869 -48.618 11.297 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -11.986 -49.567 11.243 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -12.724 -48.286 11.570 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -6.920 -33.210 9.039 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -6.495 -33.917 8.554 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -6.603 -32.409 8.622 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -9.602 -39.781 5.797 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -10.314 -39.246 5.446 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -8.911 -39.725 5.137 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -9.548 -41.323 2.836 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -8.847 -41.301 3.487 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -9.246 -41.951 2.180 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -7.875 -34.669 12.999 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -8.116 -34.007 13.647 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -8.073 -35.503 13.424 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -13.304 -35.773 16.982 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -13.616 -34.991 17.438 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -13.954 -35.926 16.296 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -9.599 -33.672 7.869 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -9.125 -33.377 8.647 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -10.162 -32.934 7.636 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -10.541 -34.488 16.478 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -10.454 -33.662 16.953 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -11.405 -34.818 16.727 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -7.025 -31.562 3.287 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -6.650 -32.306 2.816 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -7.021 -31.832 4.205 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -7.356 -31.636 6.036 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -8.291 -31.536 6.215 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -7.076 -32.345 6.614 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -14.600 -47.715 12.075 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -15.461 -47.802 11.667 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -14.622 -46.859 12.502 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -9.937 -47.993 15.449 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -9.517 -48.408 16.202 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -10.870 -48.171 15.566 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -5.848 -39.376 2.064 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -5.806 -39.599 1.134 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -4.999 -38.978 2.254 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -14.512 -42.528 8.082 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -15.405 -42.869 8.023 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -14.061 -42.905 7.326 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -9.874 -41.937 18.387 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -10.437 -42.641 18.707 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -9.048 -42.057 18.854 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -7.972 -42.666 9.713 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -8.167 -42.061 8.998 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -7.790 -43.500 9.278 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -13.393 -45.055 1.835 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -13.824 -45.500 2.565 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -14.111 -44.683 1.323 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -8.708 -41.028 14.384 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -8.384 -41.659 13.741 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -9.148 -41.563 15.045 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -11.930 -45.101 9.168 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -12.841 -45.044 9.457 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -11.425 -45.161 9.979 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -13.449 -43.472 5.651 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -12.517 -43.343 5.829 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -13.664 -42.802 5.002 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -14.775 -42.277 3.218 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -15.317 -42.657 2.527 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -13.941 -42.083 2.789 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -10.610 -42.313 11.055 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -10.046 -42.860 10.508 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -10.758 -42.835 11.844 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -15.608 -46.177 7.473 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -15.925 -47.079 7.438 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -14.827 -46.175 6.921 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -11.984 -43.925 13.469 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -12.819 -43.471 13.579 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -11.460 -43.649 14.221 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -9.314 -36.253 4.179 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -9.609 -35.427 4.561 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -10.017 -36.873 4.375 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -12.290 -40.439 18.451 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -12.586 -40.605 17.556 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -11.359 -40.659 18.441 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -6.483 -39.227 12.195 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -7.411 -39.459 12.168 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -6.032 -40.004 11.865 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -11.998 -33.087 14.219 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -11.635 -32.232 13.986 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -11.466 -33.379 14.960 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -8.454 -36.988 13.920 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -8.880 -37.215 14.746 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -7.873 -37.726 13.737 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -8.938 -45.462 14.686 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -8.240 -45.388 15.336 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -9.319 -46.326 14.841 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -10.485 -33.679 4.646 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -11.302 -33.182 4.699 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -9.956 -33.204 4.006 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -10.418 -43.096 15.803 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -10.299 -42.522 16.560 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -9.763 -43.784 15.918 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -14.413 -45.938 4.244 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -14.496 -45.049 4.590 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -13.523 -46.203 4.475 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -14.214 -32.592 20.204 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -13.446 -33.051 20.545 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -14.235 -32.818 19.274 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -10.122 -33.084 1.579 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -10.766 -33.715 1.901 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -9.360 -33.615 1.347 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -12.249 -37.731 18.971 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -12.577 -37.460 18.113 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -12.097 -38.672 18.883 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -9.211 -36.310 1.406 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -9.479 -36.130 2.307 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -9.417 -37.236 1.275 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -13.414 -39.385 3.976 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -13.873 -39.869 4.662 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -13.159 -40.053 3.340 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -12.343 -41.142 2.239 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -12.523 -41.296 1.311 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -11.392 -41.034 2.283 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -11.791 -40.328 15.147 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -11.040 -40.484 14.574 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -12.130 -39.476 14.871 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -12.567 -48.311 15.339 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -12.665 -47.364 15.233 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -13.310 -48.683 14.863 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -11.303 -43.989 18.902 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -11.539 -44.209 19.804 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -12.086 -44.196 18.393 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -8.587 -44.862 17.978 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -9.535 -44.830 18.110 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -8.275 -45.487 18.632 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -10.421 -32.139 17.918 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -10.236 -32.473 18.796 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -9.574 -31.830 17.596 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -10.152 -30.794 13.212 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -10.609 -30.265 12.558 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -9.989 -30.191 13.937 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -9.800 -31.225 3.485 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -8.934 -30.859 3.307 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -10.047 -31.665 2.672 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -7.049 -48.984 19.622 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -6.973 -49.410 20.476 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -6.156 -48.970 19.280 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -8.323 -39.025 27.201 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -8.234 -38.081 27.069 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -8.962 -39.300 26.543 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -9.390 -39.770 30.620 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -9.428 -40.416 31.325 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -9.713 -40.236 29.849 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -5.684 -36.831 28.922 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -6.125 -37.551 29.372 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -5.697 -36.110 29.552 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -8.573 -31.726 29.134 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -7.953 -32.403 28.861 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -8.781 -31.944 30.042 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -2.338 -45.736 31.887 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -2.289 -45.126 32.623 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -1.912 -45.275 31.164 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -7.860 -42.943 31.354 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -7.717 -43.890 31.374 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -7.966 -42.736 30.425 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -12.929 -40.895 28.604 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -12.313 -41.421 29.113 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -13.515 -41.535 28.200 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -8.526 -36.424 26.244 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -8.822 -36.746 25.393 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -8.850 -35.524 26.286 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -5.219 -45.420 29.008 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -5.434 -46.186 29.540 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -4.563 -44.948 29.521 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -5.172 -34.991 31.270 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -6.114 -34.933 31.431 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -4.896 -34.085 31.133 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -6.920 -33.210 27.895 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -6.495 -33.917 27.410 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -6.603 -32.409 27.478 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -9.548 -41.323 21.692 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -8.847 -41.301 22.343 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -9.246 -41.951 21.036 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -9.599 -33.672 26.725 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -9.125 -33.377 27.503 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -10.162 -32.934 26.492 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -3.627 -48.659 23.103 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -4.526 -48.520 23.398 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -3.375 -47.828 22.701 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -10.127 -30.716 25.140 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -10.202 -30.837 24.194 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -10.094 -29.766 25.259 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -10.275 -45.500 21.590 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -10.529 -45.481 22.513 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -10.532 -46.372 21.289 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -7.972 -42.666 28.569 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -8.167 -42.061 27.854 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -7.790 -43.500 28.134 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -11.930 -45.101 28.024 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -12.841 -45.044 28.313 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -11.425 -45.161 28.835 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -13.449 -43.472 24.507 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -12.517 -43.343 24.685 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -13.664 -42.802 23.858 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -7.525 -45.866 31.288 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -8.202 -45.735 31.952 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -8.011 -46.021 30.478 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -10.610 -42.313 29.911 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -10.046 -42.860 29.364 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -10.758 -42.835 30.700 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -11.440 -37.712 24.010 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -12.184 -38.219 23.687 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -11.574 -37.663 24.956 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -6.483 -39.227 31.051 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -7.411 -39.459 31.024 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -6.032 -40.004 30.721 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -12.513 -37.236 26.760 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -12.754 -36.311 26.802 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -13.253 -37.695 27.156 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -12.160 -34.947 20.297 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -11.921 -35.695 19.749 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -12.429 -35.335 21.129 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -13.223 -35.377 22.753 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -13.076 -35.897 23.543 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -13.226 -34.470 23.059 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -10.485 -33.679 23.502 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -11.302 -33.182 23.555 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -9.956 -33.204 22.862 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -10.954 -44.082 25.474 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -10.142 -43.578 25.520 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -11.199 -44.227 26.388 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -10.070 -47.001 26.412 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -10.417 -46.383 27.057 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -9.412 -46.500 25.931 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -13.147 -32.636 23.484 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -12.986 -31.836 22.983 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -13.344 -32.329 24.369 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -5.612 -41.438 29.590 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -6.409 -41.853 29.261 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -5.167 -42.129 30.081 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -4.525 -32.182 31.212 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -4.681 -31.504 30.555 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -3.593 -32.110 31.415 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -10.122 -33.084 20.435 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -10.766 -33.715 20.757 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -9.360 -33.615 20.203 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -14.563 -37.357 20.526 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -14.499 -38.151 21.057 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -13.910 -37.476 19.837 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -13.414 -39.385 22.832 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -13.873 -39.869 23.518 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -13.159 -40.053 22.196 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -12.343 -41.142 21.095 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -12.523 -41.296 20.167 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -11.392 -41.034 21.139 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -12.445 -30.451 22.096 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -11.512 -30.293 22.240 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -12.709 -29.776 21.471 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -1.809 -31.532 31.441 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -1.831 -31.347 32.380 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -1.119 -30.963 31.100 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -2.341 -37.080 31.287 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -1.507 -37.458 31.006 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -2.229 -36.137 31.168 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -3.991 -43.180 30.800 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -3.058 -42.968 30.766 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -4.226 -43.078 31.723 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -5.220 -30.346 33.308 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -5.402 -29.430 33.097 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -5.044 -30.756 32.461 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -9.728 -46.815 29.421 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -10.403 -47.444 29.676 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -9.164 -47.299 28.818 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -4.586 -48.708 29.533 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -3.982 -48.160 29.032 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -5.455 -48.388 29.293 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -2.859 -47.569 27.867 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -2.247 -48.083 27.340 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -2.476 -46.691 27.890 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -7.265 -48.224 28.705 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -7.189 -48.129 27.756 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -7.541 -49.132 28.834 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -5.912 -48.198 24.398 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -6.615 -47.584 24.188 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -6.357 -49.036 24.529 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -11.678 -46.174 23.946 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -11.500 -46.820 24.629 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -11.732 -45.340 24.413 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -9.800 -31.225 22.341 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -8.934 -30.859 22.163 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -10.047 -31.665 21.528 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -1.946 -25.402 -22.445 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -2.635 -24.744 -22.540 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -1.931 -25.599 -21.508 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -1.520 -15.206 -20.110 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -1.569 -16.161 -20.147 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -2.346 -14.938 -19.708 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -4.368 -23.713 -19.630 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -4.775 -23.232 -20.350 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -4.327 -24.618 -19.937 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -4.238 -11.338 -19.003 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -4.038 -10.914 -19.838 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -3.582 -10.995 -18.396 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -1.975 -18.165 -20.167 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -2.827 -17.927 -20.534 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -1.385 -18.182 -20.920 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -4.214 -26.333 -21.074 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -5.130 -26.070 -21.162 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -3.878 -26.336 -21.971 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -7.375 -23.657 -17.537 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -7.183 -24.588 -17.648 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -6.518 -23.232 -17.547 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -6.059 -20.868 -19.459 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -6.340 -20.159 -20.037 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -5.116 -20.941 -19.610 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -1.809 -12.676 -25.127 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -1.831 -12.491 -24.188 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -1.119 -12.107 -25.468 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -2.246 -13.109 -22.205 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -2.733 -13.844 -22.576 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -1.697 -13.502 -21.527 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -3.795 -17.319 -17.567 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -4.661 -17.424 -17.173 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -3.419 -16.560 -17.120 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -3.457 -20.518 -20.027 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -2.874 -21.252 -19.836 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -2.893 -19.746 -19.981 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -1.960 -22.615 -19.343 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -2.823 -22.994 -19.508 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -1.356 -23.354 -19.417 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -1.679 -29.607 -17.638 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -1.329 -30.261 -18.244 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -1.532 -28.770 -18.078 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -2.159 -27.498 -19.289 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -3.076 -27.227 -19.325 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -2.036 -28.033 -20.073 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -3.873 -14.055 -19.397 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -4.655 -14.241 -19.917 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -3.945 -13.126 -19.180 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -8.323 -20.169 -10.511 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -8.234 -19.225 -10.643 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -8.962 -20.444 -11.169 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -5.684 -17.975 -8.790 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -6.125 -18.695 -8.340 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -5.697 -17.254 -8.160 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -6.983 -25.855 -10.685 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -6.337 -26.184 -10.060 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -6.473 -25.337 -11.308 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -1.946 -25.402 -3.589 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -2.635 -24.744 -3.684 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -1.931 -25.599 -2.652 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -5.219 -26.564 -8.704 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -5.434 -27.330 -8.172 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -4.563 -26.092 -8.191 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -4.872 -27.849 -5.025 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -5.608 -27.238 -5.063 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -4.188 -27.434 -5.551 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -5.761 -16.453 -11.308 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -6.018 -17.143 -11.920 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -5.690 -16.896 -10.463 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -2.233 -21.547 -4.765 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -2.885 -20.852 -4.676 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -1.768 -21.337 -5.575 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -6.196 -20.715 -12.107 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -6.928 -20.487 -11.534 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -5.749 -21.429 -11.652 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -7.325 -21.553 -14.422 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -6.746 -21.403 -13.675 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -6.911 -21.082 -15.145 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -3.627 -29.803 -14.609 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -4.526 -29.664 -14.314 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -3.375 -28.972 -15.011 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -2.437 -15.437 -16.232 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -2.364 -14.498 -16.062 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -1.532 -15.742 -16.289 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -9.937 -29.137 -3.407 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -9.517 -29.552 -2.654 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -10.870 -29.315 -3.290 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -6.611 -25.381 -2.553 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -7.125 -25.507 -1.756 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -6.766 -24.469 -2.798 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -5.848 -20.520 -16.792 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -5.806 -20.743 -17.722 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -4.999 -20.122 -16.602 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -8.976 -23.256 -11.957 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -9.385 -22.441 -12.249 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -8.256 -23.396 -12.572 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -7.525 -27.010 -6.424 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -8.202 -26.879 -5.760 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -8.011 -27.165 -7.234 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -7.542 -26.042 -15.503 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -8.480 -25.930 -15.654 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -7.245 -25.185 -15.197 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -6.824 -24.175 -13.842 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -5.932 -24.312 -13.523 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -6.767 -23.384 -14.379 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -3.643 -15.179 -13.683 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -4.016 -16.005 -13.373 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -3.366 -15.362 -14.580 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -6.251 -17.203 -15.862 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -5.898 -17.583 -15.058 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -7.200 -17.296 -15.776 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -5.385 -18.530 -13.636 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -5.662 -19.258 -13.080 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -4.458 -18.411 -13.430 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -4.214 -26.333 -2.218 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -5.130 -26.070 -2.306 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -3.878 -26.336 -3.115 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -5.612 -22.582 -8.122 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -6.409 -22.997 -8.451 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -5.167 -23.273 -7.631 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -5.518 -14.411 -17.043 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -5.235 -15.205 -16.590 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -4.778 -14.178 -17.604 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -4.313 -22.488 -10.810 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -4.463 -23.433 -10.830 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -4.667 -22.207 -9.966 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -4.235 -26.460 -17.314 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -3.625 -26.832 -16.677 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -5.072 -26.882 -17.118 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -4.603 -24.905 -12.348 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -4.323 -25.812 -12.223 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -3.844 -24.471 -12.737 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -3.991 -24.324 -6.912 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -3.058 -24.112 -6.946 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -4.226 -24.222 -5.989 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -3.962 -23.587 -4.136 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -4.805 -23.319 -3.770 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -3.519 -22.765 -4.347 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -3.989 -27.642 -12.299 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -3.807 -28.091 -11.474 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -4.589 -28.227 -12.763 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -2.159 -27.498 -0.433 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -3.076 -27.227 -0.469 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -2.036 -28.033 -1.217 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -2.123 -27.575 -15.771 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -1.710 -28.296 -16.247 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -1.441 -26.905 -15.713 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -3.158 -29.408 -2.614 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -3.971 -29.083 -3.002 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -2.925 -30.168 -3.147 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -4.586 -29.852 -8.179 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -3.982 -29.304 -8.680 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -5.455 -29.532 -8.419 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -7.265 -29.368 -9.007 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -7.189 -29.273 -9.956 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -7.541 -30.276 -8.878 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -3.091 -12.806 -12.691 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -3.285 -13.554 -13.256 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -3.130 -12.048 -13.275 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -7.049 -30.128 0.766 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -6.973 -30.554 1.620 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -6.156 -30.114 0.424 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -7.860 -24.087 12.498 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -7.717 -25.034 12.518 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -7.966 -23.880 11.569 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -6.983 -25.855 8.171 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -6.337 -26.184 8.796 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -6.473 -25.337 7.548 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -5.219 -26.564 10.152 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -5.434 -27.330 10.684 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -4.563 -26.092 10.665 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -11.869 -29.762 11.297 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -11.986 -30.711 11.243 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -12.724 -29.430 11.570 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -4.075 -17.887 16.025 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -3.935 -18.478 15.286 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -3.907 -17.014 15.669 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -2.233 -21.547 14.091 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -2.885 -20.852 14.180 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -1.768 -21.337 13.281 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -6.299 -22.541 15.817 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -6.219 -21.778 16.389 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -6.900 -22.262 15.126 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -3.627 -29.803 4.247 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -4.526 -29.664 4.542 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -3.375 -28.972 3.845 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -1.520 -15.206 17.602 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -1.569 -16.161 17.565 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -2.346 -14.938 18.004 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -9.937 -29.137 15.449 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -9.517 -29.552 16.202 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -10.870 -29.315 15.566 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -9.874 -23.081 18.387 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -10.437 -23.785 18.707 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -9.048 -23.201 18.854 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -7.972 -23.810 9.713 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -8.167 -23.205 8.998 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -7.790 -24.644 9.278 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -8.708 -22.172 14.384 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -8.384 -22.803 13.741 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -9.148 -22.707 15.045 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -7.525 -27.010 12.432 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -8.202 -26.879 13.096 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -8.011 -27.165 11.622 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -4.238 -11.338 18.709 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -4.038 -10.914 17.874 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -3.582 -10.995 19.316 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -11.984 -25.069 13.469 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -12.819 -24.615 13.579 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -11.460 -24.793 14.221 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -4.290 -19.723 13.940 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -3.648 -19.266 13.397 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -5.120 -19.610 13.478 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -1.939 -23.965 4.708 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -2.493 -24.361 4.036 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -1.838 -23.055 4.431 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -1.975 -18.165 17.545 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -2.827 -17.927 17.178 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -1.385 -18.182 16.792 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -8.938 -26.606 14.686 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -8.240 -26.532 15.336 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -9.319 -27.470 14.841 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -10.418 -24.240 15.803 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -10.299 -23.666 16.560 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -9.763 -24.928 15.918 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -5.612 -22.582 10.734 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -6.409 -22.997 10.405 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -5.167 -23.273 11.225 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -6.514 -18.959 16.354 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -5.769 -18.371 16.234 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -7.271 -18.377 16.417 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -7.375 -23.657 20.175 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -7.183 -24.588 20.064 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -6.518 -23.232 20.165 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -6.059 -20.868 18.253 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -6.340 -20.159 17.675 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -5.116 -20.941 18.102 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -12.567 -29.455 15.339 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -12.665 -28.508 15.233 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -13.310 -29.827 14.863 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -11.303 -25.133 18.902 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -11.539 -25.353 19.804 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -12.086 -25.340 18.393 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -8.587 -26.006 17.978 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -9.535 -25.974 18.110 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -8.275 -26.631 18.632 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -12.345 -30.161 18.010 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -11.633 -30.801 17.996 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -12.446 -29.894 17.096 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -11.992 -28.478 20.064 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -12.123 -28.954 19.243 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -12.591 -27.734 20.008 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -2.246 -13.109 15.507 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -2.733 -13.844 15.136 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -1.697 -13.502 16.185 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -3.795 -17.319 20.145 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -4.661 -17.424 20.539 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -3.419 -16.560 20.592 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -2.494 -19.062 5.659 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -1.644 -18.641 5.787 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -2.489 -19.802 6.267 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -2.100 -21.009 7.483 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -2.826 -21.488 7.881 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -1.519 -20.803 8.215 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -1.832 -21.108 3.874 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -2.353 -20.751 3.155 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -1.865 -20.433 4.552 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -4.313 -22.488 8.046 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -4.463 -23.433 8.026 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -4.667 -22.207 8.890 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -3.457 -20.518 17.685 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -2.874 -21.252 17.876 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -2.893 -19.746 17.731 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -4.235 -26.460 1.542 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -3.625 -26.832 2.179 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -5.072 -26.882 1.738 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -4.603 -24.905 6.508 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -4.323 -25.812 6.633 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -3.844 -24.471 6.119 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -3.962 -23.587 14.720 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -4.805 -23.319 15.086 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -3.519 -22.765 14.509 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -3.989 -27.642 6.557 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -3.807 -28.091 7.382 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -4.589 -28.227 6.093 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -2.123 -27.575 3.085 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -1.710 -28.296 2.609 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -1.441 -26.905 3.143 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -9.728 -27.959 10.565 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -10.403 -28.588 10.820 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -9.164 -28.443 9.962 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -7.265 -29.368 9.849 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -7.189 -29.273 8.900 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -7.541 -30.276 9.978 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -5.912 -29.342 5.542 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -6.615 -28.728 5.332 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -6.357 -30.180 5.673 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -3.873 -14.055 18.315 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -4.655 -14.241 17.795 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -3.945 -13.126 18.532 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -8.323 -20.169 27.201 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -8.234 -19.225 27.069 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -8.962 -20.444 26.543 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -9.390 -20.914 30.620 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -9.428 -21.560 31.325 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -9.713 -21.380 29.849 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -5.684 -17.975 28.922 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -6.125 -18.695 29.372 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -5.697 -17.254 29.552 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -7.860 -24.087 31.354 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -7.717 -25.034 31.374 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -7.966 -23.880 30.425 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -6.983 -25.855 27.027 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -6.337 -26.184 27.652 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -6.473 -25.337 26.404 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -1.946 -25.402 34.123 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -2.635 -24.744 34.028 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -1.931 -25.599 35.060 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -5.172 -16.135 31.270 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -6.114 -16.077 31.431 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -4.896 -15.229 31.133 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -4.872 -27.849 32.687 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -5.608 -27.238 32.649 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -4.188 -27.434 32.161 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -6.920 -14.354 27.895 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -6.495 -15.061 27.410 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -6.603 -13.553 27.478 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -5.761 -16.453 26.404 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -6.018 -17.143 25.792 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -5.690 -16.896 27.249 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -4.075 -17.887 34.881 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -3.935 -18.478 34.142 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -3.907 -17.014 34.525 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -9.602 -20.925 24.653 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -10.314 -20.390 24.302 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -8.911 -20.869 23.993 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -9.548 -22.467 21.692 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -8.847 -22.445 22.343 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -9.246 -23.095 21.036 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -6.196 -20.715 25.605 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -6.928 -20.487 26.178 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -5.749 -21.429 26.060 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -6.299 -22.541 34.673 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -6.219 -21.778 35.245 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -6.900 -22.262 33.982 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -7.325 -21.553 23.290 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -6.746 -21.403 24.037 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -6.911 -21.082 22.567 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -2.437 -15.437 21.480 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -2.364 -14.498 21.650 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -1.532 -15.742 21.423 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -7.025 -12.706 22.143 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -6.650 -13.450 21.672 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -7.021 -12.976 23.061 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -7.356 -12.780 24.892 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -8.291 -12.680 25.071 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -7.076 -13.489 25.470 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -4.368 -23.713 36.938 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -4.775 -23.232 36.218 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -4.327 -24.618 36.631 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -6.611 -25.381 35.159 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -7.125 -25.507 35.956 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -6.766 -24.469 34.914 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -5.848 -20.520 20.920 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -5.806 -20.743 19.990 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -4.999 -20.122 21.110 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -10.275 -26.644 21.590 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -10.529 -26.625 22.513 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -10.532 -27.516 21.289 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -8.976 -23.256 25.755 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -9.385 -22.441 25.463 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -8.256 -23.396 25.140 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -7.972 -23.810 28.569 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -8.167 -23.205 27.854 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -7.790 -24.644 28.134 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -8.708 -22.172 33.240 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -8.384 -22.803 32.597 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -9.148 -22.707 33.901 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -7.525 -27.010 31.288 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -8.202 -26.879 31.952 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -8.011 -27.165 30.478 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -10.610 -23.457 29.911 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -10.046 -24.004 29.364 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -10.758 -23.979 30.700 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -4.290 -19.723 32.796 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -3.648 -19.266 32.253 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -5.120 -19.610 32.334 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -6.824 -24.175 23.870 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -5.932 -24.312 24.189 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -6.767 -23.384 23.333 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -3.643 -15.179 24.029 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -4.016 -16.005 24.339 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -3.366 -15.362 23.132 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -6.483 -20.371 31.051 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -7.411 -20.603 31.024 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -6.032 -21.148 30.721 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -8.454 -18.132 32.776 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -8.880 -18.359 33.602 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -7.873 -18.870 32.593 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -6.251 -17.203 21.850 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -5.898 -17.583 22.654 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -7.200 -17.296 21.936 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -5.385 -18.530 24.076 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -5.662 -19.258 24.632 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -4.458 -18.411 24.282 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -8.938 -26.606 33.542 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -8.240 -26.532 34.192 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -9.319 -27.470 33.697 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -10.954 -25.226 25.474 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -10.142 -24.722 25.520 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -11.199 -25.371 26.388 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -10.070 -28.145 26.412 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -10.417 -27.527 27.057 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -9.412 -27.644 25.931 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -4.214 -26.333 35.494 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -5.130 -26.070 35.406 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -3.878 -26.336 34.597 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -4.525 -13.326 31.212 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -4.681 -12.648 30.555 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -3.593 -13.254 31.415 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -5.518 -14.411 20.669 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -5.235 -15.205 21.122 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -4.778 -14.178 20.108 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -6.514 -18.959 35.210 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -5.769 -18.371 35.090 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -7.271 -18.377 35.273 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -1.809 -12.676 31.441 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -1.831 -12.491 32.380 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -1.119 -12.107 31.100 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -2.341 -18.224 31.287 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -1.507 -18.602 31.006 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -2.229 -17.281 31.168 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -3.457 -20.518 36.541 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -2.874 -21.252 36.732 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -2.893 -19.746 36.587 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -1.960 -22.615 37.225 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -2.823 -22.994 37.060 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -1.356 -23.354 37.151 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -5.071 -12.586 27.013 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -4.418 -12.933 26.405 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -4.560 -12.097 27.659 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -3.158 -29.408 35.098 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -3.971 -29.083 34.710 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -2.925 -30.168 34.565 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -9.728 -27.959 29.421 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -10.403 -28.588 29.676 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -9.164 -28.443 28.818 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -4.586 -29.852 29.533 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -3.982 -29.304 29.032 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -5.455 -29.532 29.293 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -7.265 -29.368 28.705 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -7.189 -29.273 27.756 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -7.541 -30.276 28.834 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -11.678 -27.318 23.946 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -11.500 -27.964 24.629 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -11.732 -26.484 24.413 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -2.338 -8.024 -24.681 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -2.289 -7.414 -23.945 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -1.912 -7.563 -25.404 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -4.872 -8.993 -23.881 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -5.608 -8.382 -23.919 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -4.188 -8.578 -24.407 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -4.075 0.969 -21.687 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -3.935 0.378 -22.426 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -3.907 1.842 -22.043 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -2.233 -2.691 -23.621 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -2.885 -1.996 -23.532 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -1.768 -2.481 -24.431 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -6.299 -3.685 -21.895 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -6.219 -2.922 -21.323 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -6.900 -3.406 -22.586 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -1.520 3.650 -20.110 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -1.569 2.695 -20.147 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -2.346 3.918 -19.708 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -6.611 -6.525 -21.409 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -7.125 -6.651 -20.612 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -6.766 -5.613 -21.654 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -4.238 7.518 -19.003 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -4.038 7.942 -19.838 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -3.582 7.861 -18.396 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -4.290 -0.867 -23.772 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -3.648 -0.410 -24.315 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -5.120 -0.754 -24.234 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -1.975 0.691 -20.167 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -2.827 0.929 -20.534 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -1.385 0.674 -20.920 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -4.214 -7.477 -21.074 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -5.130 -7.214 -21.162 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -3.878 -7.480 -21.971 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -6.514 -0.103 -21.358 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -5.769 0.485 -21.478 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -7.271 0.479 -21.295 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -7.375 -4.801 -17.537 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -7.183 -5.732 -17.648 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -6.518 -4.376 -17.547 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -6.059 -2.012 -19.459 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -6.340 -1.303 -20.037 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -5.116 -2.085 -19.610 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -6.953 -8.516 -17.729 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -7.050 -9.468 -17.735 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -7.275 -8.247 -16.868 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -1.809 6.180 -25.127 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -1.831 6.365 -24.188 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -1.119 6.749 -25.468 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -2.246 5.747 -22.205 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -2.733 5.012 -22.576 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -1.697 5.354 -21.527 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -3.795 1.537 -17.567 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -4.661 1.432 -17.173 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -3.419 2.296 -17.120 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -2.341 0.632 -25.281 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -1.507 0.254 -25.562 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -2.229 1.575 -25.400 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -3.854 3.510 -22.974 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -4.502 3.835 -22.349 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -4.372 3.070 -23.649 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -3.991 -5.468 -25.768 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -3.058 -5.256 -25.802 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -4.226 -5.366 -24.845 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -3.962 -4.731 -22.992 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -4.805 -4.463 -22.626 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -3.519 -3.909 -23.203 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -3.158 -10.552 -21.470 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -3.971 -10.227 -21.858 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -2.925 -11.312 -22.003 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -3.873 4.801 -19.397 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -4.655 4.615 -19.917 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -3.945 5.730 -19.180 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -6.196 -1.859 -12.107 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -6.928 -1.631 -11.534 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -5.749 -2.573 -11.652 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -7.325 -2.697 -14.422 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -6.746 -2.547 -13.675 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -6.911 -2.226 -15.145 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -3.627 -10.947 -14.609 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -4.526 -10.808 -14.314 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -3.375 -10.116 -15.011 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -2.437 3.419 -16.232 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -2.364 4.358 -16.062 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -1.532 3.114 -16.289 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -5.848 -1.664 -16.792 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -5.806 -1.887 -17.722 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -4.999 -1.266 -16.602 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -7.542 -7.186 -15.503 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -8.480 -7.074 -15.654 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -7.245 -6.329 -15.197 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -6.824 -5.319 -13.842 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -5.932 -5.456 -13.523 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -6.767 -4.528 -14.379 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -6.251 1.653 -15.862 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -5.898 1.273 -15.058 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -7.200 1.560 -15.776 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -1.747 6.133 -15.661 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -1.004 6.719 -15.801 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -2.442 6.701 -15.328 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -5.385 0.326 -13.636 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -5.662 -0.402 -13.080 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -4.458 0.445 -13.430 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -2.494 -0.206 -13.197 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -1.644 0.215 -13.069 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -2.489 -0.946 -12.589 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -2.100 -2.153 -11.373 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -2.826 -2.632 -10.975 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -1.519 -1.947 -10.641 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -4.313 -3.632 -10.810 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -4.463 -4.577 -10.830 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -4.667 -3.351 -9.966 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -4.235 -7.604 -17.314 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -3.625 -7.976 -16.677 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -5.072 -8.026 -17.118 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -4.603 -6.049 -12.348 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -4.323 -6.956 -12.223 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -3.844 -5.615 -12.737 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -3.989 -8.786 -12.299 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -3.807 -9.235 -11.474 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -4.589 -9.371 -12.763 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -1.679 -10.751 20.074 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -1.329 -11.405 19.468 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -1.532 -9.914 19.634 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -2.159 -8.642 18.423 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -3.076 -8.371 18.387 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -2.036 -9.177 17.639 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -3.158 -10.552 16.242 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -3.971 -10.227 15.854 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -2.925 -11.312 15.709 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -2.338 -8.024 31.887 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -2.289 -7.414 32.623 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -1.912 -7.563 31.164 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -5.219 -7.708 29.008 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -5.434 -8.474 29.540 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -4.563 -7.236 29.521 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -3.627 -10.947 23.103 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -4.526 -10.808 23.398 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -3.375 -10.116 22.701 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -1.939 -5.109 23.564 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -2.493 -5.505 22.892 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -1.838 -4.199 23.287 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -2.100 -2.153 26.339 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -2.826 -2.632 26.737 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -1.519 -1.947 27.071 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -1.832 -2.252 22.730 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -2.353 -1.895 22.011 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -1.865 -1.577 23.408 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -3.483 -5.012 21.281 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -3.386 -4.345 20.601 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -3.623 -5.828 20.799 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -4.313 -3.632 26.902 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -4.463 -4.577 26.882 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -4.667 -3.351 27.746 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -4.235 -7.604 20.398 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -3.625 -7.976 21.035 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -5.072 -8.026 20.594 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -4.603 -6.049 25.364 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -4.323 -6.956 25.489 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -3.844 -5.615 24.975 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -3.991 -5.468 30.800 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -3.058 -5.256 30.766 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -4.226 -5.366 31.723 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -3.989 -8.786 25.413 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -3.807 -9.235 26.238 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -4.589 -9.371 24.949 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -2.123 -8.719 21.941 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -1.710 -9.440 21.465 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -1.441 -8.049 21.999 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -4.586 -10.996 29.533 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -3.982 -10.448 29.032 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -5.455 -10.676 29.293 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -2.859 -9.857 27.867 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -2.247 -10.371 27.340 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -2.476 -8.979 27.890 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -5.912 -10.486 24.398 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -6.615 -9.872 24.188 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -6.357 -11.324 24.529 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -1.679 8.105 -17.638 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -1.329 7.451 -18.244 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -1.532 8.942 -18.078 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -2.159 10.214 -19.289 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -3.076 10.485 -19.325 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -2.036 9.679 -20.073 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -3.158 8.304 -21.470 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -3.971 8.629 -21.858 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -2.925 7.544 -22.003 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -3.627 7.909 -14.609 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -4.526 8.048 -14.314 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -3.375 8.740 -15.011 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -2.123 10.137 -15.771 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -1.710 9.416 -16.247 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -1.441 10.807 -15.713 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 3.791 -52.557 -19.966 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 3.799 -52.693 -20.914 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 2.875 -52.675 -19.714 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 0.045 -50.367 -19.128 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 0.585 -50.584 -18.369 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -0.436 -51.173 -19.318 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 4.642 -51.448 -17.508 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 5.410 -51.907 -17.167 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 4.621 -51.674 -18.438 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 11.219 -53.068 -18.779 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 10.868 -53.924 -18.536 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 11.945 -52.925 -18.172 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 8.435 -50.995 -19.794 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 8.620 -51.329 -18.916 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 9.282 -50.686 -20.116 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 1.526 -49.138 -22.706 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 0.806 -48.698 -23.157 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 1.160 -49.389 -21.857 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 3.993 -49.538 -23.676 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 3.128 -49.466 -23.272 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 3.938 -48.991 -24.460 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 10.533 -57.881 -10.511 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 10.622 -56.937 -10.643 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 9.894 -58.156 -11.169 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 9.466 -58.626 -7.092 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 9.428 -59.272 -6.387 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 9.143 -59.092 -7.863 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 1.834 -59.011 -5.499 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 1.876 -59.637 -4.775 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 2.537 -58.388 -5.317 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 13.172 -55.687 -8.790 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 12.731 -56.407 -8.340 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 13.159 -54.966 -8.160 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 2.758 -54.561 -6.964 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 2.388 -55.363 -7.333 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 3.699 -54.730 -6.917 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 7.855 -56.193 -6.686 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 8.159 -56.879 -7.280 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 8.577 -56.075 -6.068 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 10.330 -55.280 -11.468 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 10.034 -55.602 -12.319 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 10.006 -54.380 -11.426 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 11.936 -52.066 -9.817 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 12.361 -52.773 -10.302 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 12.253 -51.265 -10.234 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 13.095 -54.165 -11.308 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 12.838 -54.855 -11.920 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 13.166 -54.608 -10.463 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 16.623 -59.259 -4.765 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 15.971 -58.564 -4.676 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 17.088 -59.049 -5.575 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 12.557 -60.253 -3.039 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 12.637 -59.490 -2.467 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 11.956 -59.974 -3.730 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 5.672 -54.369 -7.543 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 5.577 -54.947 -8.300 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 6.401 -54.740 -7.047 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 4.672 -59.028 -6.591 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 5.237 -58.907 -7.354 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 4.991 -58.391 -5.952 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 2.472 -58.431 -2.645 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 2.542 -57.780 -1.947 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 1.581 -58.328 -2.980 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 -0.612 -56.364 -3.820 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 -1.113 -56.392 -4.635 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 -0.606 -57.270 -3.510 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 -0.861 -53.584 -6.936 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 0.085 -53.728 -6.955 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 -0.974 -52.800 -6.399 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 2.383 -50.783 -10.791 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 2.535 -51.131 -9.912 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 1.532 -51.139 -11.046 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 14.488 -61.425 -0.774 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 14.081 -60.944 -1.494 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 14.529 -62.330 -1.081 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 12.245 -63.093 -2.553 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 11.731 -63.219 -1.756 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 12.090 -62.181 -2.798 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 4.347 -61.605 -5.686 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 3.705 -61.646 -4.977 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 4.384 -60.679 -5.924 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 8.982 -60.793 -0.469 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 8.419 -61.497 -0.149 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 9.808 -60.913 -0.002 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 2.097 -61.285 -3.819 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 2.059 -60.885 -2.951 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 1.606 -62.102 -3.729 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 10.148 -59.884 -4.472 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 10.472 -60.515 -5.115 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 9.708 -60.419 -3.811 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 14.566 -57.435 -4.916 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 15.208 -56.978 -5.459 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 13.736 -57.322 -5.378 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 2.541 -57.273 -7.933 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 3.286 -57.275 -8.534 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 2.619 -58.097 -7.451 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 9.542 -55.109 -14.677 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 9.247 -54.283 -14.295 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 8.839 -55.729 -14.481 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 -0.451 -58.812 -2.618 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 -0.228 -59.230 -1.786 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 -1.053 -59.425 -3.040 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 6.566 -59.295 -0.405 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 6.270 -59.461 -1.300 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 7.497 -59.515 -0.415 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 15.213 -52.891 -13.683 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 14.840 -53.717 -13.373 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 15.490 -53.074 -14.580 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 12.373 -58.083 -6.661 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 11.445 -58.315 -6.688 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 12.824 -58.860 -6.991 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 4.916 -53.755 -10.528 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 5.443 -52.982 -10.729 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 4.036 -53.530 -10.830 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 5.027 -51.070 -11.407 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 4.077 -50.965 -11.355 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 5.378 -50.250 -11.062 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 12.605 -54.915 -15.862 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 12.958 -55.295 -15.058 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 11.656 -55.008 -15.776 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 17.109 -50.435 -15.661 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 17.852 -49.849 -15.801 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 16.414 -49.867 -15.328 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 6.696 -53.803 -17.415 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 6.935 -54.551 -17.963 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 6.427 -54.191 -16.583 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 5.633 -54.233 -14.959 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 5.780 -54.753 -14.169 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 5.630 -53.326 -14.653 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 8.371 -52.535 -14.210 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 7.554 -52.038 -14.157 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 8.900 -52.060 -14.850 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 8.438 -61.952 -3.053 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 8.557 -61.378 -2.296 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 9.093 -62.640 -2.938 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 5.709 -51.492 -14.228 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 5.870 -50.692 -14.729 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 5.512 -51.185 -13.343 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 14.642 -64.045 -2.218 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 13.726 -63.782 -2.306 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 14.978 -64.048 -3.115 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 13.244 -60.294 -8.122 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 12.447 -60.709 -8.451 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 13.689 -60.985 -7.631 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 0.756 -52.980 -11.602 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 -0.076 -52.507 -11.575 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 1.302 -52.470 -12.201 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 8.734 -51.940 -17.277 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 8.090 -52.571 -16.955 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 9.496 -52.471 -17.509 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 13.338 -52.123 -17.043 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 13.621 -52.917 -16.590 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 14.078 -51.890 -17.604 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 0.784 -59.357 0.102 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 1.192 -60.214 -0.019 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 0.524 -59.342 1.023 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 4.731 -60.348 -2.524 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 4.113 -59.673 -2.243 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 5.075 -60.027 -3.357 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 7.065 -59.184 -3.709 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 7.816 -59.340 -4.282 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 6.726 -58.332 -3.985 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 11.481 -61.369 1.319 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 11.673 -62.300 1.208 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 12.338 -60.944 1.309 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 3.549 -61.795 0.470 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 2.782 -62.327 0.260 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 4.228 -62.105 -0.129 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 7.553 -62.845 0.046 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 7.317 -63.065 0.948 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 6.770 -63.052 -0.463 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 10.269 -63.718 -0.878 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 9.321 -63.686 -0.746 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 10.581 -64.343 -0.224 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 6.411 -49.307 -15.616 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 7.344 -49.149 -15.472 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 6.147 -48.632 -16.241 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 -0.502 -51.197 -9.251 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 -0.836 -52.078 -9.079 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 -0.280 -50.852 -8.387 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 16.515 -55.936 -6.425 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 17.349 -56.314 -6.706 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 16.627 -54.993 -6.544 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 -0.422 -58.122 -6.800 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 -0.238 -58.204 -7.735 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 0.427 -58.246 -6.376 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 16.896 -60.327 -0.487 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 16.033 -60.706 -0.652 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 17.500 -61.066 -0.561 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 14.894 -61.299 -4.136 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 14.051 -61.031 -3.770 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 15.337 -60.477 -4.347 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 -0.824 -62.851 -0.659 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 0.095 -62.973 -0.423 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 -1.274 -63.601 -0.270 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 13.785 -50.298 -10.699 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 14.438 -50.645 -11.307 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 14.296 -49.809 -10.053 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 0.941 -50.515 -6.939 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 0.922 -50.940 -6.082 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 1.746 -50.833 -7.348 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 3.082 -51.805 -8.284 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 2.863 -52.721 -8.115 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 3.906 -51.665 -7.818 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 0.192 -51.291 -13.768 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 -0.493 -51.329 -14.436 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 0.195 -50.378 -13.480 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 15.765 -50.518 -12.691 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 15.571 -51.266 -13.256 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 15.726 -49.760 -13.275 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 2.010 -50.371 -16.743 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 1.742 -50.084 -15.870 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 2.781 -50.917 -16.591 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 10.533 -57.881 8.345 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 10.622 -56.937 8.213 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 9.894 -58.156 7.687 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 9.466 -58.626 11.764 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 9.428 -59.272 12.469 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 9.143 -59.092 10.993 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 1.834 -59.011 13.357 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 1.876 -59.637 14.081 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 2.537 -58.388 13.539 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 13.172 -55.687 10.066 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 12.731 -56.407 10.516 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 13.159 -54.966 10.696 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 -0.632 -60.901 7.285 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 -1.080 -60.055 7.267 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 -1.193 -61.481 6.770 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 0.078 -58.739 9.411 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 0.292 -59.509 9.938 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 0.816 -58.650 8.808 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 4.151 -63.698 9.770 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 4.194 -62.838 9.352 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 3.693 -64.250 9.137 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 11.873 -63.567 8.171 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 12.519 -63.896 8.796 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 12.383 -63.049 7.548 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 0.771 -61.301 10.532 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 1.425 -61.851 10.964 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 0.795 -61.575 9.616 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 10.330 -55.280 7.388 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 10.034 -55.602 6.537 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 10.006 -54.380 7.430 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 5.530 -57.104 14.132 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 4.790 -56.506 14.235 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 6.244 -56.550 13.816 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 2.555 -62.888 11.797 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 3.168 -62.255 12.170 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 3.067 -63.360 11.140 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 13.684 -53.847 12.414 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 12.742 -53.789 12.575 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 13.960 -52.941 12.277 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 11.936 -52.066 9.039 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 12.361 -52.773 8.554 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 12.253 -51.265 8.622 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 14.781 -55.599 16.025 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 14.921 -56.190 15.286 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 14.949 -54.726 15.669 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 9.254 -58.637 5.797 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 8.542 -58.102 5.446 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 9.945 -58.581 5.137 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 10.981 -53.525 12.999 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 10.740 -52.863 13.647 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 10.783 -54.359 13.424 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 2.472 -58.431 16.211 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 2.542 -57.780 16.909 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 1.581 -58.328 15.876 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 3.295 -58.727 6.221 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 3.003 -57.959 5.730 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 2.621 -59.387 6.058 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 17.336 -52.918 17.602 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 17.287 -53.873 17.565 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 16.510 -52.650 18.004 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 8.581 -64.356 2.734 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 8.327 -64.337 3.657 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 8.324 -65.228 2.433 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 4.347 -61.605 13.170 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 3.705 -61.646 13.879 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 4.384 -60.679 12.932 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 4.344 -61.384 8.082 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 3.451 -61.725 8.023 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 4.795 -61.761 7.326 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 9.880 -60.968 6.899 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 9.471 -60.153 6.607 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 10.600 -61.108 6.284 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 10.884 -61.522 9.713 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 10.689 -60.917 8.998 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 11.066 -62.356 9.278 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 2.097 -61.285 15.037 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 2.059 -60.885 15.905 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 1.606 -62.102 15.127 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 -0.020 -63.423 4.311 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 0.454 -62.832 3.726 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 -0.738 -62.892 4.658 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 10.148 -59.884 14.384 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 10.472 -60.515 13.741 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 9.708 -60.419 15.045 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 1.754 -62.328 7.995 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 0.865 -62.228 7.655 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 2.050 -63.170 7.649 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 5.407 -62.328 5.651 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 6.339 -62.199 5.829 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 5.192 -61.658 5.002 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 4.081 -61.133 3.218 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 3.539 -61.513 2.527 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 4.915 -60.939 2.789 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 14.618 -49.050 18.709 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 14.818 -48.626 17.874 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 15.274 -48.707 19.316 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 2.216 -56.576 18.317 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 2.949 -56.322 18.878 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 1.436 -56.372 18.832 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 8.246 -61.169 11.055 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 8.810 -61.716 10.508 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 8.098 -61.691 11.844 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 6.872 -62.781 13.469 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 6.037 -62.327 13.579 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 7.396 -62.505 14.221 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 14.566 -57.435 13.940 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 15.208 -56.978 13.397 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 13.736 -57.322 13.478 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 11.314 -63.754 3.353 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 10.376 -63.642 3.202 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 11.611 -62.897 3.659 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 8.936 -56.384 16.391 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 8.590 -56.765 17.197 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 8.736 -55.450 16.462 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 12.032 -61.887 5.014 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 12.924 -62.024 5.333 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 12.089 -61.096 4.477 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 -0.451 -58.812 16.238 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 -0.228 -59.230 17.070 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 -1.053 -59.425 15.816 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 6.566 -59.295 18.451 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 6.270 -59.461 17.556 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 7.497 -59.515 18.441 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 16.917 -61.677 4.708 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 16.363 -62.073 4.036 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 17.018 -60.767 4.431 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 16.881 -55.877 17.545 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 16.029 -55.639 17.178 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 17.471 -55.894 16.792 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 12.373 -58.083 12.195 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 11.445 -58.315 12.168 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 12.824 -58.860 11.865 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 10.402 -55.844 13.920 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 9.976 -56.071 14.746 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 10.983 -56.582 13.737 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 2.086 -56.980 4.407 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 1.400 -56.628 4.974 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 2.609 -56.217 4.161 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 13.244 -60.294 10.734 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 12.447 -60.709 10.405 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 13.689 -60.985 11.225 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 1.018 -61.702 2.420 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 0.973 -60.763 2.599 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 0.130 -61.938 2.150 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 14.331 -51.038 12.356 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 14.175 -50.360 11.699 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 15.263 -50.966 12.559 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 -0.048 -56.557 19.538 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 0.096 -57.459 19.252 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 -0.821 -56.271 19.050 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 6.607 -56.587 18.971 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 6.279 -56.316 18.113 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 6.759 -57.528 18.883 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 12.342 -56.671 16.354 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 13.087 -56.083 16.234 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 11.585 -56.089 16.417 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 0.784 -59.357 18.958 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 1.192 -60.214 18.837 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 0.524 -59.342 19.879 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 4.731 -60.348 16.332 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 4.113 -59.673 16.613 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 5.075 -60.027 15.499 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 6.513 -59.998 2.239 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 6.333 -60.152 1.311 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 7.464 -59.890 2.283 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 9.751 -57.877 19.610 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 10.704 -57.793 19.582 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 9.591 -58.588 20.229 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 7.065 -59.184 15.147 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 7.816 -59.340 14.574 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 6.726 -58.332 14.871 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 12.797 -58.580 18.253 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 12.516 -57.871 17.675 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 13.740 -58.653 18.102 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 17.047 -50.388 12.585 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 17.025 -50.203 13.524 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 17.737 -49.819 12.244 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 16.610 -50.821 15.507 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 16.123 -51.556 15.136 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 17.159 -51.214 16.185 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 15.061 -55.031 20.145 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 14.195 -55.136 20.539 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 15.437 -54.272 20.592 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 16.515 -55.936 12.431 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 17.349 -56.314 12.150 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 16.627 -54.993 12.312 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 15.002 -53.058 14.738 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 14.354 -52.733 15.363 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 14.484 -53.498 14.063 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 15.373 -61.580 2.425 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 15.470 -60.913 1.745 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 15.233 -62.396 1.943 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 14.543 -60.200 8.046 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 14.393 -61.145 8.026 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 14.189 -59.919 8.890 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 -0.422 -58.122 12.056 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 -0.238 -58.204 11.121 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 0.427 -58.246 12.480 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 15.399 -58.230 17.685 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 15.982 -58.964 17.876 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 15.963 -57.458 17.731 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 14.621 -64.172 1.542 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 15.231 -64.544 2.179 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 13.784 -64.594 1.738 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 14.253 -62.617 6.508 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 14.533 -63.524 6.633 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 15.012 -62.183 6.119 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 -1.299 -61.540 12.157 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 -0.807 -61.761 11.367 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 -0.937 -60.699 12.438 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 13.785 -50.298 8.157 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 14.438 -50.645 7.549 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 14.296 -49.809 8.803 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 13.636 -49.202 14.452 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 13.454 -48.286 14.241 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 13.812 -49.612 13.605 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 10.330 -55.280 26.244 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 10.034 -55.602 25.393 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 10.006 -54.380 26.286 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 11.936 -52.066 27.895 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 12.361 -52.773 27.410 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 12.253 -51.265 27.478 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 13.095 -54.165 26.404 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 12.838 -54.855 25.792 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 13.166 -54.608 27.249 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 11.531 -59.265 23.290 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 12.110 -59.115 24.037 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 11.945 -58.794 22.567 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 9.257 -52.528 26.725 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 9.731 -52.233 27.503 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 8.694 -51.790 26.492 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 16.419 -53.149 21.480 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 16.492 -52.210 21.650 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 17.324 -53.454 21.423 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 8.729 -49.572 25.140 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 8.654 -49.693 24.194 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 8.762 -48.622 25.259 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 2.383 -50.783 26.921 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 2.535 -51.131 27.800 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 1.532 -51.139 26.666 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 11.500 -50.492 24.892 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 10.565 -50.392 25.071 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 11.780 -51.201 25.470 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 13.008 -58.232 20.920 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 13.050 -58.455 19.990 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 13.857 -57.834 21.110 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 7.416 -56.568 24.010 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 6.672 -57.075 23.687 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 7.282 -56.519 24.956 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 9.542 -55.109 23.035 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 9.247 -54.283 23.417 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 8.839 -55.729 23.231 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 15.213 -52.891 24.029 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 14.840 -53.717 24.339 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 15.490 -53.074 23.132 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 4.916 -53.755 27.184 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 5.443 -52.982 26.983 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 4.036 -53.530 26.882 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 5.027 -51.070 26.305 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 4.077 -50.965 26.357 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 5.378 -50.250 26.650 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 17.109 -50.435 22.051 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 17.852 -49.849 21.911 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 16.414 -49.867 22.384 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 13.471 -56.242 24.076 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 13.194 -56.970 24.632 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 14.398 -56.123 24.282 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 6.696 -53.803 20.297 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 6.935 -54.551 19.749 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 6.427 -54.191 21.129 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 5.633 -54.233 22.753 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 5.780 -54.753 23.543 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 5.630 -53.326 23.059 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 2.702 -54.366 22.160 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 3.294 -53.667 22.436 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 3.161 -54.799 21.441 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 0.756 -52.980 26.110 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 -0.076 -52.507 26.137 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 1.302 -52.470 25.511 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 4.293 -56.213 20.526 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 4.357 -57.007 21.057 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 4.946 -56.332 19.837 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 15.903 -57.643 20.540 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 15.630 -58.068 19.727 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 15.943 -56.712 20.323 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 -0.021 -54.671 21.579 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 0.893 -54.592 21.852 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 -0.014 -55.358 20.912 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 -1.372 -49.278 26.656 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 -2.019 -49.740 26.123 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 -1.017 -49.950 27.239 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 -0.502 -51.197 28.461 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 -0.836 -52.078 28.633 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 -0.280 -50.852 29.325 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 13.785 -50.298 27.013 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 14.438 -50.645 26.405 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 14.296 -49.809 27.659 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 0.941 -50.515 30.773 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 0.922 -50.940 31.630 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 1.746 -50.833 30.364 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 3.082 -51.805 29.428 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 2.863 -52.721 29.597 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 3.906 -51.665 29.894 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 0.192 -51.291 23.944 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 -0.493 -51.329 23.276 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 0.195 -50.378 24.232 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 15.765 -50.518 25.021 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 15.571 -51.266 24.456 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 15.726 -49.760 24.437 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 1.834 -40.155 -24.355 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 1.876 -40.781 -23.631 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 2.537 -39.532 -24.173 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 2.961 -45.924 -23.868 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 2.742 -45.394 -24.634 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 2.293 -45.697 -23.220 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 5.530 -38.248 -23.580 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 4.790 -37.650 -23.477 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 6.244 -37.694 -23.896 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 3.938 -36.284 -22.793 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 3.932 -35.405 -23.171 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 3.084 -36.367 -22.368 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 5.552 -35.773 -20.730 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 5.240 -34.991 -20.274 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 4.902 -35.926 -21.416 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 2.472 -39.575 -21.501 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 2.542 -38.924 -20.803 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 1.581 -39.472 -21.836 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 3.791 -33.701 -19.966 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 3.799 -33.837 -20.914 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 2.875 -33.819 -19.714 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 -0.612 -37.508 -22.676 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 -1.113 -37.536 -23.491 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 -0.606 -38.414 -22.366 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 8.315 -34.488 -21.234 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 8.402 -33.662 -20.759 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 7.451 -34.818 -20.985 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 1.637 -36.185 -21.633 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 1.854 -36.546 -20.773 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 0.782 -36.559 -21.843 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 8.919 -47.993 -22.263 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 9.339 -48.408 -21.510 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 7.986 -48.171 -22.146 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 4.347 -42.749 -24.542 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 3.705 -42.790 -23.833 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 4.384 -41.823 -24.780 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 8.982 -41.937 -19.325 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 8.419 -42.641 -19.005 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 9.808 -42.057 -18.858 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 2.097 -42.429 -22.675 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 2.059 -42.029 -21.807 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 1.606 -43.246 -22.585 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 6.872 -43.925 -24.243 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 6.037 -43.471 -24.133 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 7.396 -43.649 -23.491 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 8.936 -37.528 -21.321 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 8.590 -37.909 -20.515 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 8.736 -36.594 -21.250 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 1.183 -45.203 -21.916 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 0.290 -44.864 -21.983 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 1.084 -46.058 -21.498 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 8.438 -43.096 -21.909 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 8.557 -42.522 -21.152 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 9.093 -43.784 -21.794 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 0.045 -31.511 -19.128 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 0.585 -31.728 -18.369 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 -0.436 -32.317 -19.318 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 11.219 -34.212 -18.779 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 10.868 -35.068 -18.536 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 11.945 -34.069 -18.172 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 4.731 -41.492 -21.380 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 4.113 -40.817 -21.099 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 5.075 -41.171 -22.213 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 9.751 -39.021 -18.102 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 10.704 -38.937 -18.130 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 9.591 -39.732 -17.483 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 5.483 -45.767 -22.805 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 6.019 -45.316 -23.457 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 4.631 -45.875 -23.227 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 7.065 -40.328 -22.565 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 7.816 -40.484 -23.138 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 6.726 -39.476 -22.841 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 11.481 -42.513 -17.537 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 11.673 -43.444 -17.648 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 12.338 -42.088 -17.547 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 6.289 -48.311 -22.373 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 6.191 -47.364 -22.479 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 5.546 -48.683 -22.849 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 10.269 -44.862 -19.734 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 9.321 -44.830 -19.602 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 10.581 -45.487 -19.080 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 11.903 -46.228 -17.729 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 11.806 -47.180 -17.735 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 11.581 -45.959 -16.868 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 6.511 -49.017 -19.702 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 7.223 -49.657 -19.716 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 6.410 -48.750 -20.616 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 -0.422 -39.266 -25.656 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 -0.238 -39.348 -26.591 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 0.427 -39.390 -25.232 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 -0.824 -43.995 -19.515 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 0.095 -44.117 -19.279 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 -1.274 -44.745 -19.126 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 17.177 -48.463 -17.638 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 17.527 -49.117 -18.244 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 17.324 -47.626 -18.078 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 -1.022 -47.688 -23.156 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 -1.687 -47.934 -22.513 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 -1.465 -47.066 -23.733 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 4.124 -33.538 -22.753 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 3.699 -32.729 -23.036 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 5.029 -33.453 -23.055 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 8.435 -32.139 -19.794 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 8.620 -32.473 -18.916 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 9.282 -31.830 -20.116 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 10.780 -30.854 -20.550 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 11.457 -31.486 -20.790 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 11.102 -30.452 -19.742 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 1.526 -30.282 -22.706 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 0.806 -29.842 -23.157 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 1.160 -30.533 -21.857 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 3.993 -30.682 -23.676 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 3.128 -30.610 -23.272 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 3.938 -30.135 -24.460 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 1.412 -47.667 -19.808 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 1.046 -48.432 -19.365 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 2.325 -47.638 -19.521 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 11.807 -48.984 -18.090 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 11.883 -49.410 -17.236 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 12.700 -48.970 -18.432 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 13.684 -34.991 -6.442 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 12.742 -34.933 -6.281 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 13.960 -34.085 -6.579 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 11.936 -33.210 -9.817 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 12.361 -33.917 -10.302 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 12.253 -32.409 -10.234 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 13.095 -35.309 -11.308 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 12.838 -35.999 -11.920 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 13.166 -35.752 -10.463 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 9.254 -39.781 -13.059 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 8.542 -39.246 -13.410 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 9.945 -39.725 -13.719 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 9.308 -41.323 -16.020 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 10.009 -41.301 -15.369 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 9.610 -41.951 -16.676 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 11.531 -40.409 -14.422 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 12.110 -40.259 -13.675 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 11.945 -39.938 -15.145 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 9.257 -33.672 -10.987 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 9.731 -33.377 -10.209 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 8.694 -32.934 -11.220 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 15.229 -48.659 -14.609 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 14.330 -48.520 -14.314 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 15.481 -47.828 -15.011 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 11.831 -31.562 -15.569 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 12.206 -32.306 -16.040 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 11.835 -31.832 -14.651 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 11.500 -31.636 -12.820 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 10.565 -31.536 -12.641 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 11.780 -32.345 -12.242 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 13.008 -39.376 -16.792 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 13.050 -39.599 -17.722 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 13.857 -38.978 -16.602 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 8.581 -45.500 -16.122 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 8.327 -45.481 -15.199 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 8.324 -46.372 -16.423 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 11.314 -44.898 -15.503 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 10.376 -44.786 -15.654 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 11.611 -44.041 -15.197 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 12.032 -43.031 -13.842 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 12.924 -43.168 -13.523 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 12.089 -42.240 -14.379 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 9.542 -36.253 -14.677 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 9.247 -35.427 -14.295 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 8.839 -36.873 -14.481 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 16.917 -42.821 -14.148 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 16.363 -43.217 -14.820 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 17.018 -41.911 -14.425 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 16.881 -37.021 -1.311 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 16.029 -36.783 -1.678 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 17.471 -37.038 -2.064 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 15.213 -34.035 -13.683 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 14.840 -34.861 -13.373 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 15.490 -34.218 -14.580 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 12.605 -36.059 -15.862 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 12.958 -36.439 -15.058 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 11.656 -36.152 -15.776 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 13.471 -37.386 -13.636 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 13.194 -38.114 -13.080 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 14.398 -37.267 -13.430 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 8.371 -33.679 -14.210 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 7.554 -33.182 -14.157 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 8.900 -33.204 -14.850 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 14.331 -32.182 -6.500 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 14.175 -31.504 -7.157 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 15.263 -32.110 -6.297 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 8.734 -33.084 -17.277 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 8.090 -33.715 -16.955 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 9.496 -33.615 -17.509 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 9.645 -36.310 -17.450 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 9.377 -36.130 -16.549 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 9.439 -37.236 -17.581 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 -1.372 -30.422 -11.056 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 -2.019 -30.884 -11.589 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 -1.017 -31.094 -10.473 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 17.047 -31.532 -6.271 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 17.025 -31.347 -5.332 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 17.737 -30.963 -6.612 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 16.362 -37.918 -13.197 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 17.212 -37.497 -13.069 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 16.367 -38.658 -12.589 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 16.756 -39.865 -11.373 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 16.030 -40.344 -10.975 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 17.337 -39.659 -10.641 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 16.515 -37.080 -6.425 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 17.349 -37.458 -6.706 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 16.627 -36.137 -6.544 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 17.024 -39.964 -14.982 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 16.503 -39.607 -15.701 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 16.991 -39.289 -14.304 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 15.373 -42.724 -16.431 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 15.470 -42.057 -17.111 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 15.233 -43.540 -16.913 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 14.621 -45.316 -17.314 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 15.231 -45.688 -16.677 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 13.784 -45.738 -17.118 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 16.733 -46.431 -15.771 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 17.146 -47.152 -16.247 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 17.415 -45.761 -15.713 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 13.785 -31.442 -10.699 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 14.438 -31.789 -11.307 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 14.296 -30.953 -10.053 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 -1.022 -47.688 -4.300 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 -1.687 -47.934 -3.657 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 -1.465 -47.066 -4.877 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 0.291 -48.383 -14.666 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 0.730 -47.772 -15.257 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 -0.343 -47.845 -14.192 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 7.178 -46.174 -13.766 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 7.356 -46.820 -13.083 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 7.124 -45.340 -13.299 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 15.765 -31.662 -12.691 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 15.571 -32.410 -13.256 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 15.726 -30.904 -13.275 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 17.177 -48.463 20.074 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 17.527 -49.117 19.468 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 17.324 -47.626 19.634 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 16.697 -46.354 18.423 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 15.780 -46.083 18.387 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 16.820 -46.889 17.639 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 15.698 -48.264 16.242 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 14.885 -47.939 15.854 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 15.931 -49.024 15.709 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 14.270 -48.708 10.677 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 14.874 -48.160 10.176 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 13.401 -48.388 10.437 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 9.466 -39.770 30.620 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 9.428 -40.416 31.325 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 9.143 -40.236 29.849 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 1.834 -40.155 32.213 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 1.876 -40.781 32.937 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 2.537 -39.532 32.395 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 13.172 -36.831 28.922 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 12.731 -37.551 29.372 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 13.159 -36.110 29.552 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 2.758 -35.705 30.748 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 2.388 -36.507 30.379 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 3.699 -35.874 30.795 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 10.283 -31.726 29.134 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 10.903 -32.403 28.861 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 10.075 -31.944 30.042 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 7.855 -37.337 31.026 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 8.159 -38.023 30.432 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 8.577 -37.219 31.644 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 4.151 -44.842 28.626 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 4.194 -43.982 28.208 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 3.693 -45.394 27.993 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 11.873 -44.711 27.027 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 12.519 -45.040 27.652 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 12.383 -44.193 26.404 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 0.771 -42.445 29.388 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 1.425 -42.995 29.820 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 0.795 -42.719 28.472 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 5.927 -40.895 28.604 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 6.543 -41.421 29.113 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 5.341 -41.535 28.200 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 2.961 -45.924 32.700 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 2.742 -45.394 31.934 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 2.293 -45.697 33.348 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 2.555 -44.032 30.653 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 3.168 -43.399 31.026 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 3.067 -44.504 29.996 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 13.684 -34.991 31.270 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 12.742 -34.933 31.431 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 13.960 -34.085 31.133 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 6.987 -48.618 30.153 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 6.870 -49.567 30.099 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 6.132 -48.286 30.426 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 5.672 -35.513 30.169 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 5.577 -36.091 29.412 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 6.401 -35.884 30.665 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 4.672 -40.172 31.121 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 5.237 -40.051 30.358 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 4.991 -39.535 31.760 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 10.981 -34.669 31.855 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 10.740 -34.007 32.503 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 10.783 -35.503 32.280 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 15.229 -48.659 23.103 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 14.330 -48.520 23.398 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 15.481 -47.828 22.701 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 -0.861 -34.728 30.776 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 0.085 -34.872 30.757 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 -0.974 -33.944 31.313 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 4.256 -47.715 30.931 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 3.395 -47.802 30.523 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 4.234 -46.859 31.358 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 4.347 -42.749 32.026 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 3.705 -42.790 32.735 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 4.384 -41.823 31.788 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 10.884 -42.666 28.569 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 10.689 -42.061 27.854 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 11.066 -43.500 28.134 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 6.926 -45.101 28.024 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 6.015 -45.044 28.313 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 7.431 -45.161 28.835 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 8.246 -42.313 29.911 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 8.810 -42.860 29.364 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 8.098 -42.835 30.700 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 2.541 -38.417 29.779 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 3.286 -38.419 29.178 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 2.619 -39.241 30.261 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 16.917 -42.821 23.564 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 16.363 -43.217 22.892 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 17.018 -41.911 23.287 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 12.373 -39.227 31.051 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 11.445 -39.459 31.024 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 12.824 -40.004 30.721 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 4.916 -34.899 27.184 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 5.443 -34.126 26.983 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 4.036 -34.674 26.882 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 6.343 -37.236 26.760 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 6.102 -36.311 26.802 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 5.603 -37.695 27.156 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 17.109 -31.579 22.051 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 17.852 -30.993 21.911 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 16.414 -31.011 22.384 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 0.834 -33.398 33.087 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 1.051 -34.330 33.056 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 1.081 -33.124 33.971 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 10.702 -45.810 24.639 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 10.922 -45.338 23.836 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 11.260 -45.415 25.310 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 8.786 -47.001 26.412 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 8.439 -46.383 27.057 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 9.444 -46.500 25.931 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 13.244 -41.438 29.590 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 12.447 -41.853 29.261 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 13.689 -42.129 30.081 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 14.331 -32.182 31.212 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 14.175 -31.504 30.555 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 15.263 -32.110 31.415 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 1.826 -48.064 29.949 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 1.597 -48.005 29.022 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 1.383 -48.856 30.256 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 16.362 -37.918 24.515 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 17.212 -37.497 24.643 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 16.367 -38.658 25.123 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 16.756 -39.865 26.339 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 16.030 -40.344 26.737 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 17.337 -39.659 27.071 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 17.024 -39.964 22.730 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 16.503 -39.607 22.011 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 16.991 -39.289 23.408 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 14.543 -41.344 26.902 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 14.393 -42.289 26.882 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 14.189 -41.063 27.746 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 -0.422 -39.266 30.912 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 -0.238 -39.348 29.977 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 0.427 -39.390 31.336 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 14.253 -43.761 25.364 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 14.533 -44.668 25.489 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 15.012 -43.327 24.975 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 14.867 -46.498 25.413 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 15.049 -46.947 26.238 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 14.267 -47.083 24.949 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 0.397 -45.683 29.944 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 0.842 -46.475 30.246 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 0.863 -44.967 30.375 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 -1.299 -42.684 31.013 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 -0.807 -42.905 30.223 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 -0.937 -41.843 31.294 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 16.733 -46.431 21.941 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 17.146 -47.152 21.465 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 17.415 -45.761 21.999 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 0.941 -31.659 30.773 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 0.922 -32.084 31.630 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 1.746 -31.977 30.364 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 3.082 -32.949 29.428 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 2.863 -33.865 29.597 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 3.906 -32.809 29.894 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 5.619 -32.479 30.276 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 5.832 -33.367 29.989 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 5.684 -32.513 31.231 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 9.128 -46.815 29.421 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 8.453 -47.444 29.676 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 9.692 -47.299 28.818 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 6.034 -48.254 27.056 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 6.908 -47.866 27.026 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 5.898 -48.469 27.979 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 12.944 -48.198 24.398 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 12.241 -47.584 24.188 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 12.499 -49.036 24.529 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 9.466 -20.914 -25.948 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 9.428 -21.560 -25.243 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 9.143 -21.380 -26.719 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 2.758 -16.849 -25.820 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 2.388 -17.651 -26.189 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 3.699 -17.018 -25.773 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 10.283 -12.870 -27.434 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 10.903 -13.547 -27.707 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 10.075 -13.088 -26.526 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 7.855 -18.481 -25.542 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 8.159 -19.167 -26.136 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 8.577 -18.363 -24.924 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 2.961 -27.068 -23.868 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 2.742 -26.538 -24.634 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 2.293 -26.841 -23.220 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 5.530 -19.392 -23.580 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 4.790 -18.794 -23.477 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 6.244 -18.838 -23.896 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 3.938 -17.428 -22.793 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 3.932 -16.549 -23.171 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 3.084 -17.511 -22.368 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 13.684 -16.135 -25.298 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 12.742 -16.077 -25.137 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 13.960 -15.229 -25.435 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 14.781 -17.887 -21.687 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 14.921 -18.478 -22.426 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 14.949 -17.014 -22.043 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 12.557 -22.541 -21.895 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 12.637 -21.778 -21.323 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 11.956 -22.262 -22.586 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 5.672 -16.657 -26.399 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 5.577 -17.235 -27.156 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 6.401 -17.028 -25.903 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 4.672 -21.316 -25.447 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 5.237 -21.195 -26.210 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 4.991 -20.679 -24.808 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 10.981 -15.813 -24.713 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 10.740 -15.151 -24.065 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 10.783 -16.647 -24.288 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 2.472 -20.719 -21.501 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 2.542 -20.068 -20.803 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 1.581 -20.616 -21.836 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 -0.612 -18.652 -22.676 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 -1.113 -18.680 -23.491 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 -0.606 -19.558 -22.366 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 14.488 -23.713 -19.630 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 14.081 -23.232 -20.350 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 14.529 -24.618 -19.937 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 1.637 -17.329 -21.633 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 1.854 -17.690 -20.773 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 0.782 -17.703 -21.843 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 8.919 -29.137 -22.263 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 9.339 -29.552 -21.510 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 7.986 -29.315 -22.146 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 12.245 -25.381 -21.409 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 11.731 -25.507 -20.612 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 12.090 -24.469 -21.654 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 4.347 -23.893 -24.542 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 3.705 -23.934 -23.833 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 4.384 -22.967 -24.780 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 2.097 -23.573 -22.675 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 2.059 -23.173 -21.807 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 1.606 -24.390 -22.585 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 10.148 -22.172 -23.328 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 10.472 -22.803 -23.971 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 9.708 -22.707 -22.667 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 14.618 -11.338 -19.003 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 14.818 -10.914 -19.838 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 15.274 -10.995 -18.396 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 2.216 -18.864 -19.395 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 2.949 -18.610 -18.834 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 1.436 -18.660 -18.880 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 6.872 -25.069 -24.243 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 6.037 -24.615 -24.133 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 7.396 -24.793 -23.491 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 14.566 -19.723 -23.772 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 15.208 -19.266 -24.315 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 13.736 -19.610 -24.234 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 -0.451 -21.100 -21.474 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 -0.228 -21.518 -20.642 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 -1.053 -21.713 -21.896 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 12.373 -20.371 -25.517 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 11.445 -20.603 -25.544 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 12.824 -21.148 -25.847 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 10.402 -18.132 -23.792 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 9.976 -18.359 -22.966 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 10.983 -18.870 -23.975 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 1.183 -26.347 -21.916 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 0.290 -26.008 -21.983 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 1.084 -27.202 -21.498 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 0.834 -14.542 -23.481 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 1.051 -15.474 -23.512 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 1.081 -14.268 -22.597 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 9.918 -26.606 -23.026 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 10.616 -26.532 -22.376 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 9.537 -27.470 -22.871 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 8.438 -24.240 -21.909 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 8.557 -23.666 -21.152 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 9.093 -24.928 -21.794 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 14.642 -26.333 -21.074 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 13.726 -26.070 -21.162 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 14.978 -26.336 -21.971 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 14.331 -13.326 -25.356 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 14.175 -12.648 -26.013 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 15.263 -13.254 -25.153 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 -0.048 -18.845 -18.174 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 0.096 -19.747 -18.460 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 -0.821 -18.559 -18.662 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 12.342 -18.959 -21.358 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 13.087 -18.371 -21.478 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 11.585 -18.377 -21.295 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 4.731 -22.636 -21.380 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 4.113 -21.961 -21.099 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 5.075 -22.315 -22.213 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 5.071 -25.281 -20.297 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 5.221 -26.010 -20.900 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 5.073 -24.504 -20.856 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 5.483 -26.911 -22.805 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 6.019 -26.460 -23.457 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 4.631 -27.019 -23.227 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 7.065 -21.472 -22.565 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 7.816 -21.628 -23.138 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 6.726 -20.620 -22.841 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 6.289 -29.455 -22.373 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 6.191 -28.508 -22.479 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 5.546 -29.827 -22.849 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 10.269 -26.006 -19.734 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 9.321 -25.974 -19.602 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 10.581 -26.631 -19.080 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 11.903 -27.372 -17.729 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 11.806 -28.324 -17.735 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 11.581 -27.103 -16.868 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 1.730 -26.162 -18.681 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 1.941 -26.869 -19.292 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 1.618 -26.600 -17.837 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 6.511 -30.161 -19.702 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 7.223 -30.801 -19.716 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 6.410 -29.894 -20.616 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 16.610 -13.109 -22.205 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 16.123 -13.844 -22.576 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 17.159 -13.502 -21.527 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 15.061 -17.319 -17.567 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 14.195 -17.424 -17.173 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 15.437 -16.560 -17.120 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 15.002 -15.346 -22.974 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 14.354 -15.021 -22.349 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 14.484 -15.786 -23.649 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 15.399 -20.518 -20.027 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 15.982 -21.252 -19.836 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 15.963 -19.746 -19.981 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 16.896 -22.615 -19.343 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 16.033 -22.994 -19.508 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 17.500 -23.354 -19.417 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 14.894 -23.587 -22.992 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 14.051 -23.319 -22.626 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 15.337 -22.765 -23.203 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 -0.824 -25.139 -19.515 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 0.095 -25.261 -19.279 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 -1.274 -25.889 -19.126 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 13.636 -11.490 -23.260 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 13.454 -10.574 -23.471 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 13.812 -11.900 -24.107 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 0.941 -12.803 -25.795 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 0.922 -13.228 -24.938 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 1.746 -13.121 -26.204 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 3.082 -14.093 -27.140 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 2.863 -15.009 -26.971 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 3.906 -13.953 -26.674 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 5.619 -13.623 -26.292 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 5.832 -14.511 -26.579 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 5.684 -13.657 -25.337 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 1.412 -28.811 -19.808 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 1.046 -29.576 -19.365 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 2.325 -28.782 -19.521 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 11.807 -30.128 -18.090 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 11.883 -30.554 -17.236 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 12.700 -30.114 -18.432 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 14.983 -14.055 -19.397 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 14.201 -14.241 -19.917 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 14.911 -13.126 -19.180 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 1.834 -21.299 -5.499 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 1.876 -21.925 -4.775 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 2.537 -20.676 -5.317 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 13.172 -17.975 -8.790 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 12.731 -18.695 -8.340 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 13.159 -17.254 -8.160 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 2.758 -16.849 -6.964 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 2.388 -17.651 -7.333 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 3.699 -17.018 -6.917 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 0.078 -21.027 -9.445 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 0.292 -21.797 -8.918 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 0.816 -20.938 -10.048 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 10.283 -12.870 -8.578 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 10.903 -13.547 -8.851 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 10.075 -13.088 -7.670 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 7.855 -18.481 -6.686 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 8.159 -19.167 -7.280 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 8.577 -18.363 -6.068 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 16.518 -26.880 -5.825 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 16.567 -26.270 -5.089 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 16.944 -26.419 -6.548 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 16.910 -25.402 -3.589 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 16.221 -24.744 -3.684 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 16.925 -25.599 -2.652 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 10.330 -17.568 -11.468 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 10.034 -17.890 -12.319 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 10.006 -16.668 -11.426 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 5.530 -19.392 -4.724 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 4.790 -18.794 -4.621 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 6.244 -18.838 -5.040 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 13.637 -26.564 -8.704 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 13.422 -27.330 -8.172 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 14.293 -26.092 -8.191 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 11.936 -14.354 -9.817 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 12.361 -15.061 -10.302 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 12.253 -13.553 -10.234 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 13.095 -16.453 -11.308 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 12.838 -17.143 -11.920 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 13.166 -16.896 -10.463 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 14.781 -17.887 -2.831 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 14.921 -18.478 -3.570 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 14.949 -17.014 -3.187 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 16.623 -21.547 -4.765 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 15.971 -20.852 -4.676 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 17.088 -21.337 -5.575 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 12.660 -20.715 -12.107 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 11.928 -20.487 -11.534 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 13.107 -21.429 -11.652 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 12.557 -22.541 -3.039 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 12.637 -21.778 -2.467 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 11.956 -22.262 -3.730 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 5.672 -16.657 -7.543 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 5.577 -17.235 -8.300 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 6.401 -17.028 -7.047 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 4.672 -21.316 -6.591 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 5.237 -21.195 -7.354 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 4.991 -20.679 -5.952 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 2.472 -20.719 -2.645 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 2.542 -20.068 -1.947 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 1.581 -20.616 -2.980 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 9.257 -14.816 -10.987 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 9.731 -14.521 -10.209 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 8.694 -14.078 -11.220 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 15.229 -29.803 -14.609 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 14.330 -29.664 -14.314 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 15.481 -28.972 -15.011 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 16.419 -15.437 -16.232 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 16.492 -14.498 -16.062 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 17.324 -15.742 -16.289 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 2.383 -13.071 -10.791 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 2.535 -13.419 -9.912 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 1.532 -13.427 -11.046 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 11.831 -12.706 -15.569 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 12.206 -13.450 -16.040 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 11.835 -12.976 -14.651 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 11.500 -12.780 -12.820 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 10.565 -12.680 -12.641 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 11.780 -13.489 -12.242 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 8.982 -23.081 -0.469 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 8.419 -23.785 -0.149 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 9.808 -23.201 -0.002 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 14.566 -19.723 -4.916 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 15.208 -19.266 -5.459 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 13.736 -19.610 -5.378 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 11.314 -26.042 -15.503 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 10.376 -25.930 -15.654 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 11.611 -25.185 -15.197 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 8.936 -18.672 -2.465 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 8.590 -19.053 -1.659 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 8.736 -17.738 -2.394 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 2.541 -19.561 -7.933 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 3.286 -19.563 -8.534 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 2.619 -20.385 -7.451 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 -0.451 -21.100 -2.618 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 -0.228 -21.518 -1.786 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 -1.053 -21.713 -3.040 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 6.566 -21.583 -0.405 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 6.270 -21.749 -1.300 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 7.497 -21.803 -0.415 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 16.917 -23.965 -14.148 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 16.363 -24.361 -14.820 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 17.018 -23.055 -14.425 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 16.881 -18.165 -1.311 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 16.029 -17.927 -1.678 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 17.471 -18.182 -2.064 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 15.213 -15.179 -13.683 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 14.840 -16.005 -13.373 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 15.490 -15.362 -14.580 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 12.373 -20.371 -6.661 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 11.445 -20.603 -6.688 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 12.824 -21.148 -6.991 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 4.916 -16.043 -10.528 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 5.443 -15.270 -10.729 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 4.036 -15.818 -10.830 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 6.343 -18.380 -10.952 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 6.102 -17.455 -10.910 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 5.603 -18.839 -10.556 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 10.402 -18.132 -4.936 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 9.976 -18.359 -4.110 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 10.983 -18.870 -5.119 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 1.183 -26.347 -3.060 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 0.290 -26.008 -3.127 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 1.084 -27.202 -2.642 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 13.471 -18.530 -13.636 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 13.194 -19.258 -13.080 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 14.398 -18.411 -13.430 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 13.244 -22.582 -8.122 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 12.447 -22.997 -8.451 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 13.689 -23.273 -7.631 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 0.756 -15.268 -11.602 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 -0.076 -14.795 -11.575 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 1.302 -14.758 -12.201 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 11.219 -15.356 0.077 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 10.868 -16.212 0.320 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 11.945 -15.213 0.684 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 13.338 -14.411 -17.043 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 13.621 -15.205 -16.590 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 14.078 -14.178 -17.604 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 6.607 -18.875 0.115 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 6.279 -18.604 -0.743 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 6.759 -19.816 0.027 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 12.342 -18.959 -2.502 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 13.087 -18.371 -2.622 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 11.585 -18.377 -2.439 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 4.731 -22.636 -2.524 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 4.113 -21.961 -2.243 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 5.075 -22.315 -3.357 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 9.751 -20.165 0.754 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 10.704 -20.081 0.726 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 9.591 -20.876 1.373 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 15.903 -19.931 -17.172 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 15.630 -20.356 -17.985 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 15.943 -19.000 -17.389 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 5.071 -25.281 -1.441 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 5.221 -26.010 -2.044 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 5.073 -24.504 -2.000 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 12.797 -20.868 -0.603 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 12.516 -20.159 -1.181 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 13.740 -20.941 -0.754 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 3.549 -24.083 0.470 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 2.782 -24.615 0.260 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 4.228 -24.393 -0.129 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 1.730 -26.162 0.175 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 1.941 -26.869 -0.436 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 1.618 -26.600 1.019 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 -1.372 -11.566 -11.056 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 -2.019 -12.028 -11.589 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 -1.017 -12.238 -10.473 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 -0.502 -13.485 -9.251 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 -0.836 -14.366 -9.079 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 -0.280 -13.140 -8.387 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 15.061 -17.319 1.289 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 14.195 -17.424 1.683 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 15.437 -16.560 1.736 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 16.362 -19.062 -13.197 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 17.212 -18.641 -13.069 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 16.367 -19.802 -12.589 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 16.756 -21.009 -11.373 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 16.030 -21.488 -10.975 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 17.337 -20.803 -10.641 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 17.024 -21.108 -14.982 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 16.503 -20.751 -15.701 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 16.991 -20.433 -14.304 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 15.373 -23.868 -16.431 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 15.470 -23.201 -17.111 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 15.233 -24.684 -16.913 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 14.543 -22.488 -10.810 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 14.393 -23.433 -10.830 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 14.189 -22.207 -9.966 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 -0.422 -20.410 -6.800 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 -0.238 -20.492 -7.735 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 0.427 -20.534 -6.376 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 15.399 -20.518 -1.171 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 15.982 -21.252 -0.980 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 15.963 -19.746 -1.125 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 16.896 -22.615 -0.487 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 16.033 -22.994 -0.652 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 17.500 -23.354 -0.561 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 14.621 -26.460 -17.314 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 15.231 -26.832 -16.677 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 13.784 -26.882 -17.118 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 14.253 -24.905 -12.348 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 14.533 -25.812 -12.223 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 15.012 -24.471 -12.737 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 14.865 -24.324 -6.912 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 15.798 -24.112 -6.946 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 14.630 -24.222 -5.989 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 14.894 -23.587 -4.136 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 14.051 -23.319 -3.770 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 15.337 -22.765 -4.347 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 -0.824 -25.139 -0.659 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 0.095 -25.261 -0.423 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 -1.274 -25.889 -0.270 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 14.867 -27.642 -12.299 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 15.049 -28.091 -11.474 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 14.267 -28.227 -12.763 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 -1.299 -23.828 -6.699 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 -0.807 -24.049 -7.489 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 -0.937 -22.987 -6.418 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 -0.986 -27.570 -12.644 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 -1.911 -27.361 -12.774 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 -0.532 -27.086 -13.334 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 13.785 -12.586 -10.699 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 14.438 -12.933 -11.307 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 14.296 -12.097 -10.053 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 3.082 -14.093 -8.284 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 2.863 -15.009 -8.115 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 3.906 -13.953 -7.818 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 5.619 -13.623 -7.436 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 5.832 -14.511 -7.723 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 5.684 -13.657 -6.481 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 14.270 -29.852 -8.179 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 14.874 -29.304 -8.680 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 13.401 -29.532 -8.419 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 15.997 -28.713 -9.845 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 16.609 -29.227 -10.372 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 16.380 -27.835 -9.822 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 12.944 -29.342 -13.314 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 12.241 -28.728 -13.524 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 12.499 -30.180 -13.183 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 1.412 -28.811 -0.952 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 1.046 -29.576 -0.509 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 2.325 -28.782 -0.665 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 14.983 -14.055 -0.541 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 14.201 -14.241 -1.061 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 14.911 -13.126 -0.324 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 1.834 -21.299 13.357 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 1.876 -21.925 14.081 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 2.537 -20.676 13.539 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 13.172 -17.975 10.066 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 12.731 -18.695 10.516 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 13.159 -17.254 10.696 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 2.758 -16.849 11.892 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 2.388 -17.651 11.523 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 3.699 -17.018 11.939 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 0.078 -21.027 9.411 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 0.292 -21.797 9.938 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 0.816 -20.938 8.808 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 7.855 -18.481 12.170 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 8.159 -19.167 11.576 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 8.577 -18.363 12.788 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 10.996 -24.087 12.498 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 11.139 -25.034 12.518 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 10.890 -23.880 11.569 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 5.530 -19.392 14.132 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 4.790 -18.794 14.235 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 6.244 -18.838 13.816 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 3.938 -17.428 14.919 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 3.932 -16.549 14.541 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 3.084 -17.511 15.344 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 0.059 -17.757 5.701 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 -0.213 -17.528 4.812 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 0.104 -16.919 6.161 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 11.936 -14.354 9.039 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 12.361 -15.061 8.554 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 12.253 -13.553 8.622 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 13.095 -16.453 7.548 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 12.838 -17.143 6.936 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 13.166 -16.896 8.393 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 14.781 -17.887 16.025 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 14.921 -18.478 15.286 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 14.949 -17.014 15.669 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 16.623 -21.547 14.091 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 15.971 -20.852 14.180 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 17.088 -21.337 13.281 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 12.557 -22.541 15.817 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 12.637 -21.778 16.389 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 11.956 -22.262 15.126 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 5.672 -16.657 11.313 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 5.577 -17.235 10.556 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 6.401 -17.028 11.809 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 4.672 -21.316 12.265 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 5.237 -21.195 11.502 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 4.991 -20.679 12.904 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 2.472 -20.719 16.211 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 2.542 -20.068 16.909 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 1.581 -20.616 15.876 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 9.257 -14.816 7.869 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 9.731 -14.521 8.647 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 8.694 -14.078 7.636 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 16.419 -15.437 2.624 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 16.492 -14.498 2.794 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 17.324 -15.742 2.567 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 -0.612 -18.652 15.036 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 -1.113 -18.680 14.221 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 -0.606 -19.558 15.346 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 8.315 -15.632 16.478 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 8.402 -14.806 16.953 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 7.451 -15.962 16.727 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 8.729 -11.860 6.284 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 8.654 -11.981 5.338 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 8.762 -10.910 6.403 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 2.383 -13.071 8.065 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 2.535 -13.419 8.944 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 1.532 -13.427 7.810 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 11.831 -12.706 3.287 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 12.206 -13.450 2.816 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 11.835 -12.976 4.205 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 11.500 -12.780 6.036 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 10.565 -12.680 6.215 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 11.780 -13.489 6.614 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 1.637 -17.329 16.079 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 1.854 -17.690 16.939 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 0.782 -17.703 15.869 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 5.463 -26.199 1.835 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 5.032 -26.644 2.565 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 4.745 -25.827 1.323 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 -0.020 -25.711 4.311 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 0.454 -25.120 3.726 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 -0.738 -25.180 4.658 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 10.148 -22.172 14.384 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 10.472 -22.803 13.741 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 9.708 -22.707 15.045 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 4.081 -23.421 3.218 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 3.539 -23.801 2.527 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 4.915 -23.227 2.789 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 14.566 -19.723 13.940 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 15.208 -19.266 13.397 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 13.736 -19.610 13.478 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 8.936 -18.672 16.391 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 8.590 -19.053 17.197 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 8.736 -17.738 16.462 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 2.541 -19.561 10.923 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 3.286 -19.563 10.322 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 2.619 -20.385 11.405 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 9.542 -17.397 4.179 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 9.247 -16.571 4.561 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 8.839 -18.017 4.375 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 -0.451 -21.100 16.238 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 -0.228 -21.518 17.070 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 -1.053 -21.713 15.816 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 6.566 -21.583 18.451 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 6.270 -21.749 17.556 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 7.497 -21.803 18.441 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 11.186 -16.210 16.341 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 10.285 -16.027 16.073 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 11.220 -15.951 17.262 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 16.881 -18.165 17.545 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 16.029 -17.927 17.178 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 17.471 -18.182 16.792 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 15.213 -15.179 5.173 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 14.840 -16.005 5.483 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 15.490 -15.362 4.276 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 12.373 -20.371 12.195 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 11.445 -20.603 12.168 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 12.824 -21.148 11.865 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 4.916 -16.043 8.328 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 5.443 -15.270 8.127 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 4.036 -15.818 8.026 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 0.671 -21.181 2.915 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 1.287 -20.554 3.294 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 -0.191 -20.865 3.186 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 6.858 -14.231 14.219 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 7.221 -13.376 13.986 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 7.390 -14.523 14.960 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 5.027 -13.358 7.449 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 4.077 -13.253 7.501 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 5.378 -12.538 7.794 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 10.402 -18.132 13.920 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 9.976 -18.359 14.746 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 10.983 -18.870 13.737 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 0.834 -14.542 14.231 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 1.051 -15.474 14.200 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 1.081 -14.268 15.115 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 6.696 -16.091 1.441 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 6.935 -16.839 0.893 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 6.427 -16.479 2.273 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 5.633 -16.521 3.897 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 5.780 -17.041 4.687 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 5.630 -15.614 4.203 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 2.086 -19.268 4.407 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 1.400 -18.916 4.974 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 2.609 -18.505 4.161 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 8.371 -14.823 4.646 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 7.554 -14.326 4.699 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 8.900 -14.348 4.006 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 8.438 -24.240 15.803 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 8.557 -23.666 16.560 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 9.093 -24.928 15.918 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 5.709 -13.780 4.628 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 5.870 -12.980 4.127 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 5.512 -13.473 5.513 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 2.702 -16.654 3.304 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 3.294 -15.955 3.580 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 3.161 -17.087 2.585 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 1.018 -23.990 2.420 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 0.973 -23.051 2.599 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 0.130 -24.226 2.150 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 0.756 -15.268 7.254 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 -0.076 -14.795 7.281 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 1.302 -14.758 6.655 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 0.045 -12.655 18.584 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 0.585 -12.872 19.343 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 -0.436 -13.461 18.394 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 8.734 -14.228 1.579 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 8.090 -14.859 1.901 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 9.496 -14.759 1.347 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 11.219 -15.356 18.933 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 10.868 -16.212 19.176 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 11.945 -15.213 19.540 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 13.338 -14.411 1.813 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 13.621 -15.205 2.266 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 14.078 -14.178 1.252 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 4.293 -18.501 1.670 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 4.357 -19.295 2.201 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 4.946 -18.620 0.981 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 9.645 -17.454 1.406 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 9.377 -17.274 2.307 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 9.439 -18.380 1.275 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 12.342 -18.959 16.354 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 13.087 -18.371 16.234 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 11.585 -18.377 16.417 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 4.731 -22.636 16.332 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 4.113 -21.961 16.613 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 5.075 -22.315 15.499 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 6.513 -22.286 2.239 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 6.333 -22.440 1.311 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 7.464 -22.178 2.283 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 9.751 -20.165 19.610 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 10.704 -20.081 19.582 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 9.591 -20.876 20.229 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 7.065 -21.472 15.147 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 7.816 -21.628 14.574 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 6.726 -20.620 14.871 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 11.481 -23.657 20.175 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 11.673 -24.588 20.064 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 12.338 -23.232 20.165 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 12.797 -20.868 18.253 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 12.516 -20.159 17.675 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 13.740 -20.941 18.102 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 16.515 -18.224 12.431 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 17.349 -18.602 12.150 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 16.627 -17.281 12.312 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 -0.422 -20.410 12.056 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 -0.238 -20.492 11.121 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 0.427 -20.534 12.480 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 15.399 -20.518 17.685 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 15.982 -21.252 17.876 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 15.963 -19.746 17.731 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 17.177 -29.607 20.074 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 17.527 -30.261 19.468 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 17.324 -28.770 19.634 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 4.124 -14.682 14.959 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 3.699 -13.873 14.676 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 5.029 -14.597 14.657 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 8.435 -13.283 17.918 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 8.620 -13.617 18.796 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 9.282 -12.974 17.596 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 10.780 -11.998 17.162 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 11.457 -12.630 16.922 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 11.102 -11.596 17.970 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 1.526 -11.426 15.006 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 0.806 -10.986 14.555 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 1.160 -11.677 15.855 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 8.704 -11.938 13.212 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 8.247 -11.409 12.558 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 8.867 -11.335 13.937 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 11.031 -13.060 14.157 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 10.127 -12.895 13.891 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 11.460 -12.207 14.091 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 0.941 -12.803 11.917 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 0.922 -13.228 12.774 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 1.746 -13.121 11.508 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 3.082 -14.093 10.572 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 2.863 -15.009 10.741 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 3.906 -13.953 11.038 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 5.619 -13.623 11.420 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 5.832 -14.511 11.133 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 5.684 -13.657 12.375 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 10.533 -20.169 27.201 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 10.622 -19.225 27.069 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 9.894 -20.444 26.543 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 1.834 -21.299 32.213 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 1.876 -21.925 32.937 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 2.537 -20.676 32.395 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 2.758 -16.849 30.748 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 2.388 -17.651 30.379 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 3.699 -17.018 30.795 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 4.151 -25.986 28.626 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 4.194 -25.126 28.208 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 3.693 -26.538 27.993 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 11.873 -25.855 27.027 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 12.519 -26.184 27.652 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 12.383 -25.337 26.404 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 5.927 -22.039 28.604 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 6.543 -22.565 29.113 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 5.341 -22.679 28.200 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 2.961 -27.068 32.700 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 2.742 -26.538 31.934 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 2.293 -26.841 33.348 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 2.555 -25.176 30.653 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 3.168 -24.543 31.026 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 3.067 -25.648 29.996 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 6.987 -29.762 30.153 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 6.870 -30.711 30.099 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 6.132 -29.430 30.426 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 9.254 -20.925 24.653 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 8.542 -20.390 24.302 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 9.945 -20.869 23.993 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 9.308 -22.467 21.692 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 10.009 -22.445 22.343 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 9.610 -23.095 21.036 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 4.305 -20.085 27.488 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 3.975 -20.455 26.669 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 4.893 -20.755 27.834 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 5.672 -16.657 30.169 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 5.577 -17.235 29.412 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 6.401 -17.028 30.665 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 4.672 -21.316 31.121 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 5.237 -21.195 30.358 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 4.991 -20.679 31.760 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 11.531 -21.553 23.290 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 12.110 -21.403 24.037 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 11.945 -21.082 22.567 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 9.257 -14.816 26.725 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 9.731 -14.521 27.503 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 8.694 -14.078 26.492 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 15.229 -29.803 23.103 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 14.330 -29.664 23.398 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 15.481 -28.972 22.701 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 -0.612 -18.652 33.892 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 -1.113 -18.680 33.077 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 -0.606 -19.558 34.202 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 -0.861 -15.872 30.776 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 0.085 -16.016 30.757 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 -0.974 -15.088 31.313 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 8.729 -11.860 25.140 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 8.654 -11.981 24.194 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 8.762 -10.910 25.259 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 11.831 -12.706 22.143 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 12.206 -13.450 21.672 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 11.835 -12.976 23.061 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 4.256 -28.859 30.931 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 3.395 -28.946 30.523 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 4.234 -28.003 31.358 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 13.008 -20.520 20.920 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 13.050 -20.743 19.990 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 13.857 -20.122 21.110 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 4.347 -23.893 32.026 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 3.705 -23.934 32.735 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 4.384 -22.967 31.788 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 9.880 -23.256 25.755 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 9.471 -22.441 25.463 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 10.600 -23.396 25.140 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 10.884 -23.810 28.569 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 10.689 -23.205 27.854 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 11.066 -24.644 28.134 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 2.097 -23.573 33.893 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 2.059 -23.173 34.761 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 1.606 -24.390 33.983 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 6.926 -26.245 28.024 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 6.015 -26.188 28.313 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 7.431 -26.305 28.835 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 8.246 -23.457 29.911 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 8.810 -24.004 29.364 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 8.098 -23.979 30.700 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 7.416 -18.856 24.010 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 6.672 -19.363 23.687 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 7.282 -18.807 24.956 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 11.314 -26.042 22.209 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 10.376 -25.930 22.058 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 11.611 -25.185 22.515 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 12.032 -24.175 23.870 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 12.924 -24.312 24.189 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 12.089 -23.384 23.333 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 2.541 -19.561 29.779 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 3.286 -19.563 29.178 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 2.619 -20.385 30.261 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 9.542 -17.397 23.035 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 9.247 -16.571 23.417 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 8.839 -18.017 23.231 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 -0.451 -21.100 35.094 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 -0.228 -21.518 35.926 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 -1.053 -21.713 34.672 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 16.917 -23.965 23.564 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 16.363 -24.361 22.892 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 17.018 -23.055 23.287 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 4.916 -16.043 27.184 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 5.443 -15.270 26.983 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 4.036 -15.818 26.882 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 6.343 -18.380 26.760 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 6.102 -17.455 26.802 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 5.603 -18.839 27.156 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 1.183 -26.347 34.652 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 0.290 -26.008 34.585 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 1.084 -27.202 35.070 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 0.834 -14.542 33.087 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 1.051 -15.474 33.056 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 1.081 -14.268 33.971 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 10.702 -26.954 24.639 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 10.922 -26.482 23.836 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 11.260 -26.559 25.310 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 8.371 -14.823 23.502 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 7.554 -14.326 23.555 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 8.900 -14.348 22.862 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 8.786 -28.145 26.412 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 8.439 -27.527 27.057 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 9.444 -27.644 25.931 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 1.826 -29.208 29.949 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 1.597 -29.149 29.022 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 1.383 -30.000 30.256 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 8.734 -14.228 20.435 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 8.090 -14.859 20.757 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 9.496 -14.759 20.203 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 9.645 -17.454 20.262 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 9.377 -17.274 21.163 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 9.439 -18.380 20.131 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 15.903 -19.931 20.540 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 15.630 -20.356 19.727 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 15.943 -19.000 20.323 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 17.024 -21.108 22.730 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 16.503 -20.751 22.011 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 16.991 -20.433 23.408 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 15.373 -23.868 21.281 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 15.470 -23.201 20.601 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 15.233 -24.684 20.799 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 -0.422 -20.410 30.912 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 -0.238 -20.492 29.977 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 0.427 -20.534 31.336 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 14.253 -24.905 25.364 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 14.533 -25.812 25.489 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 15.012 -24.471 24.975 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 14.867 -27.642 25.413 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 15.049 -28.091 26.238 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 14.267 -28.227 24.949 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 16.733 -27.575 21.941 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 17.146 -28.296 21.465 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 17.415 -26.905 21.999 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 -1.022 -28.832 33.412 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 -1.687 -29.078 34.055 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 -1.465 -28.210 32.835 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 3.993 -11.826 32.892 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 3.128 -11.754 33.296 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 3.938 -11.279 32.108 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 0.941 -12.803 30.773 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 0.922 -13.228 31.630 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 1.746 -13.121 30.364 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 3.082 -14.093 29.428 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 2.863 -15.009 29.597 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 3.906 -13.953 29.894 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 5.619 -13.623 30.276 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 5.832 -14.511 29.989 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 5.684 -13.657 31.231 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 9.128 -27.959 29.421 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 8.453 -28.588 29.676 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 9.692 -28.443 28.818 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 14.270 -29.852 29.533 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 14.874 -29.304 29.032 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 13.401 -29.532 29.293 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 15.997 -28.713 27.867 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 16.609 -29.227 27.340 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 16.380 -27.835 27.890 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 6.034 -29.398 27.056 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 6.908 -29.010 27.026 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 5.898 -29.613 27.979 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 11.591 -29.368 28.705 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 11.667 -29.273 27.756 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 11.315 -30.276 28.834 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 12.944 -29.342 24.398 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 12.241 -28.728 24.188 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 12.499 -30.180 24.529 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 9.056 -12.369 22.341 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 9.922 -12.003 22.163 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 8.809 -12.809 21.528 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 9.466 -2.058 -25.948 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 9.428 -2.704 -25.243 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 9.143 -2.524 -26.719 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 2.758 2.007 -25.820 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 2.388 1.205 -26.189 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 3.699 1.838 -25.773 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 0.078 -2.171 -28.301 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 0.292 -2.941 -27.774 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 0.816 -2.082 -28.904 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 7.855 0.375 -25.542 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 8.159 -0.311 -26.136 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 8.577 0.493 -24.924 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 16.518 -8.024 -24.681 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 16.567 -7.414 -23.945 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 16.944 -7.563 -25.404 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 10.996 -5.231 -25.214 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 11.139 -6.178 -25.194 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 10.890 -5.024 -26.143 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 11.873 -6.999 -29.541 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 12.519 -7.328 -28.916 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 12.383 -6.481 -30.164 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 0.771 -4.733 -27.180 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 1.425 -5.283 -26.748 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 0.795 -5.007 -28.096 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 5.927 -3.183 -27.964 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 6.543 -3.709 -27.455 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 5.341 -3.823 -28.368 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 16.910 -6.546 -22.445 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 16.221 -5.888 -22.540 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 16.925 -6.743 -21.508 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 13.637 -7.708 -27.560 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 13.422 -8.474 -27.028 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 14.293 -7.236 -27.047 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 13.984 -8.993 -23.881 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 13.248 -8.382 -23.919 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 14.668 -8.578 -24.407 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 6.987 -10.906 -26.415 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 6.870 -11.855 -26.469 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 6.132 -10.574 -26.142 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 12.557 -3.685 -21.895 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 12.637 -2.922 -21.323 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 11.956 -3.406 -22.586 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 4.305 -1.229 -29.080 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 3.975 -1.599 -29.899 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 4.893 -1.899 -28.734 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 5.672 2.199 -26.399 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 5.577 1.621 -27.156 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 6.401 1.828 -25.903 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 10.981 3.043 -24.713 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 10.740 3.705 -24.065 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 10.783 2.209 -24.288 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 -0.612 0.204 -22.676 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 -1.113 0.176 -23.491 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 -0.606 -0.702 -22.366 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 -0.861 2.984 -25.792 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 0.085 2.840 -25.811 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 -0.974 3.768 -25.255 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 14.488 -4.857 -19.630 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 14.081 -4.376 -20.350 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 14.529 -5.762 -19.937 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 4.344 -4.816 -29.630 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 3.451 -5.157 -29.689 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 4.795 -5.193 -30.386 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 9.880 -4.400 -30.813 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 9.471 -3.585 -31.105 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 10.600 -4.540 -31.428 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 8.982 -4.225 -19.325 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 8.419 -4.929 -19.005 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 9.808 -4.345 -18.858 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 10.884 -4.954 -27.999 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 10.689 -4.349 -28.714 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 11.066 -5.788 -28.434 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 -1.295 -7.601 -28.825 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 -0.664 -7.630 -28.105 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 -0.845 -8.026 -29.555 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 10.148 -3.316 -23.328 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 10.472 -3.947 -23.971 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 9.708 -3.851 -22.667 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 1.754 -5.760 -29.717 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 0.865 -5.660 -30.057 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 2.050 -6.602 -30.063 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 5.407 -5.760 -32.061 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 6.339 -5.631 -31.883 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 5.192 -5.090 -32.710 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 11.331 -8.154 -25.280 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 10.654 -8.023 -24.616 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 10.845 -8.309 -26.090 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 3.248 -8.465 -30.239 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 2.931 -9.367 -30.274 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 4.029 -8.463 -30.791 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 2.541 -0.705 -26.789 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 3.286 -0.707 -27.390 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 2.619 -1.529 -26.307 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 11.186 2.646 -21.371 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 10.285 2.829 -21.639 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 11.220 2.905 -20.450 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 4.916 2.813 -29.384 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 5.443 3.586 -29.585 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 4.036 3.038 -29.686 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 6.858 4.625 -23.493 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 7.221 5.480 -23.726 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 7.390 4.333 -22.752 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 10.402 0.724 -23.792 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 9.976 0.497 -22.966 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 10.983 -0.014 -23.975 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 0.834 4.314 -23.481 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 1.051 3.382 -23.512 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 1.081 4.588 -22.597 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 7.902 -6.370 -31.094 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 8.714 -5.866 -31.048 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 7.657 -6.515 -30.180 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 8.786 -9.289 -30.156 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 8.439 -8.671 -29.511 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 9.444 -8.788 -30.637 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 14.642 -7.477 -21.074 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 13.726 -7.214 -21.162 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 14.978 -7.480 -21.971 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 1.826 -10.352 -26.619 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 1.597 -10.293 -27.546 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 1.383 -11.144 -26.312 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 11.219 3.500 -18.779 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 10.868 2.644 -18.536 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 11.945 3.643 -18.172 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 12.342 -0.103 -21.358 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 13.087 0.485 -21.478 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 11.585 0.479 -21.295 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 9.751 -1.309 -18.102 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 10.704 -1.225 -18.130 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 9.591 -2.020 -17.483 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 11.481 -4.801 -17.537 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 11.673 -5.732 -17.648 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 12.338 -4.376 -17.547 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 12.797 -2.012 -19.459 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 12.516 -1.303 -20.037 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 13.740 -2.085 -19.610 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 11.903 -8.516 -17.729 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 11.806 -9.468 -17.735 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 11.581 -8.247 -16.868 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 -0.422 -1.554 -25.656 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 -0.238 -1.636 -26.591 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 0.427 -1.678 -25.232 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 14.865 -5.468 -25.768 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 15.798 -5.256 -25.802 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 14.630 -5.366 -24.845 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 14.894 -4.731 -22.992 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 14.051 -4.463 -22.626 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 15.337 -3.909 -23.203 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 17.177 -10.751 -17.638 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 17.527 -11.405 -18.244 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 17.324 -9.914 -18.078 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 0.397 -7.971 -26.624 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 0.842 -8.763 -26.322 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 0.863 -7.255 -26.193 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 -1.299 -4.972 -25.555 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 -0.807 -5.193 -26.345 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 -0.937 -4.131 -25.274 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 16.697 -8.642 -19.289 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 15.780 -8.371 -19.325 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 16.820 -9.177 -20.073 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 -1.022 -9.976 -23.156 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 -1.687 -10.222 -22.513 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 -1.465 -9.354 -23.733 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 8.435 5.573 -19.794 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 8.620 5.239 -18.916 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 9.282 5.882 -20.116 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 10.780 6.858 -20.550 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 11.457 6.226 -20.790 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 11.102 7.260 -19.742 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 15.698 -10.552 -21.470 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 14.885 -10.227 -21.858 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 15.931 -11.312 -22.003 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 8.704 6.918 -24.500 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 8.247 7.447 -25.154 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 8.867 7.521 -23.775 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 11.031 5.796 -23.555 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 10.127 5.961 -23.821 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 11.460 6.649 -23.621 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 0.941 6.053 -25.795 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 0.922 5.628 -24.938 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 1.746 5.735 -26.204 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 3.082 4.763 -27.140 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 2.863 3.847 -26.971 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 3.906 4.903 -26.674 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 5.619 5.233 -26.292 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 5.832 4.345 -26.579 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 5.684 5.199 -25.337 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 9.128 -9.103 -27.147 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 8.453 -9.732 -26.892 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 9.692 -9.587 -27.750 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 14.270 -10.996 -27.035 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 14.874 -10.448 -27.536 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 13.401 -10.676 -27.275 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 1.454 -10.469 -29.325 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 0.677 -10.703 -29.833 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 1.985 -11.266 -29.317 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 6.034 -10.542 -29.512 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 6.908 -10.154 -29.542 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 5.898 -10.757 -28.589 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 11.591 -10.512 -27.863 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 11.667 -10.417 -28.812 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 11.315 -11.420 -27.734 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 -0.632 -4.333 -11.571 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 -1.080 -3.487 -11.589 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 -1.193 -4.913 -12.086 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 0.078 -2.171 -9.445 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 0.292 -2.941 -8.918 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 0.816 -2.082 -10.048 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 0.059 1.099 -13.155 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 -0.213 1.328 -14.044 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 0.104 1.937 -12.695 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 6.987 -10.906 -7.559 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 6.870 -11.855 -7.613 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 6.132 -10.574 -7.286 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 9.308 -3.611 -16.020 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 10.009 -3.589 -15.369 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 9.610 -4.239 -16.676 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 15.229 -10.947 -14.609 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 14.330 -10.808 -14.314 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 15.481 -10.116 -15.011 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 3.295 -2.159 -12.635 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 3.003 -1.391 -13.126 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 2.621 -2.819 -12.798 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 8.581 -7.788 -16.122 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 8.327 -7.769 -15.199 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 8.324 -8.660 -16.423 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 4.344 -4.816 -10.774 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 3.451 -5.157 -10.833 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 4.795 -5.193 -11.530 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 -1.295 -7.601 -9.969 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 -0.664 -7.630 -9.249 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 -0.845 -8.026 -10.699 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 1.754 -5.760 -10.861 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 0.865 -5.660 -11.201 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 2.050 -6.602 -11.207 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 5.407 -5.760 -13.205 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 6.339 -5.631 -13.027 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 5.192 -5.090 -13.854 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 3.248 -8.465 -11.383 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 2.931 -9.367 -11.418 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 4.029 -8.463 -11.935 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 7.416 0.000 -13.702 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 6.672 -0.507 -14.025 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 7.282 0.049 -12.756 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 11.314 -7.186 -15.503 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 10.376 -7.074 -15.654 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 11.611 -6.329 -15.197 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 9.542 1.459 -14.677 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 9.247 2.285 -14.295 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 8.839 0.839 -14.481 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 5.633 2.335 -14.959 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 5.780 1.815 -14.169 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 5.630 3.242 -14.653 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 2.086 -0.412 -14.449 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 1.400 -0.060 -13.882 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 2.609 0.351 -14.695 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 10.702 -8.098 -13.073 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 10.922 -7.626 -13.876 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 11.260 -7.703 -12.402 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 8.371 4.033 -14.210 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 7.554 4.530 -14.157 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 8.900 4.508 -14.850 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 7.902 -6.370 -12.238 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 8.714 -5.866 -12.192 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 7.657 -6.515 -11.324 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 8.786 -9.289 -11.300 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 8.439 -8.671 -10.655 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 9.444 -8.788 -11.781 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 5.709 5.076 -14.228 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 5.870 5.876 -14.729 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 5.512 5.383 -13.343 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 4.443 -8.226 -14.612 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 4.360 -7.337 -14.266 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 5.333 -8.491 -14.381 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 2.702 2.202 -15.552 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 3.294 2.901 -15.276 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 3.161 1.769 -16.271 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 8.734 4.628 -17.277 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 8.090 3.997 -16.955 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 9.496 4.097 -17.509 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 9.645 1.402 -17.450 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 9.377 1.582 -16.549 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 9.439 0.476 -17.581 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 5.442 -1.673 -14.880 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 4.983 -2.157 -14.194 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 5.697 -2.341 -15.516 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 6.411 7.261 -15.616 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 7.344 7.419 -15.472 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 6.147 7.936 -16.241 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 -0.021 1.897 -16.133 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 0.893 1.976 -15.860 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 -0.014 1.210 -16.800 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 14.621 -7.604 -17.314 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 15.231 -7.976 -16.677 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 13.784 -8.026 -17.118 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 -0.986 -8.714 -12.644 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 -1.911 -8.505 -12.774 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 -0.532 -8.230 -13.334 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 1.454 -10.469 -10.469 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 0.677 -10.703 -10.977 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 1.985 -11.266 -10.461 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 6.034 -10.542 -10.656 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 6.908 -10.154 -10.686 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 5.898 -10.757 -9.733 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 12.944 -10.486 -13.314 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 12.241 -9.872 -13.524 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 12.499 -11.324 -13.183 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 0.192 5.277 -13.768 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 -0.493 5.239 -14.436 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 0.195 6.190 -13.480 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 7.178 -8.462 -13.766 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 7.356 -9.108 -13.083 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 7.124 -7.628 -13.299 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 9.056 6.487 -15.371 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 9.922 6.853 -15.549 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 8.809 6.047 -16.184 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 2.961 -8.212 13.844 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 2.742 -7.682 13.078 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 2.293 -7.985 14.492 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 6.987 -10.906 11.297 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 6.870 -11.855 11.243 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 6.132 -10.574 11.570 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 4.256 -10.003 12.075 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 3.395 -10.090 11.667 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 4.234 -9.147 12.502 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 8.919 -10.281 15.449 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 9.339 -10.696 16.202 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 7.986 -10.459 15.566 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 4.347 -5.037 13.170 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 3.705 -5.078 13.879 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 4.384 -4.111 12.932 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 8.982 -4.225 18.387 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 8.419 -4.929 18.707 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 9.808 -4.345 18.854 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 2.097 -4.717 15.037 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 2.059 -4.317 15.905 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 1.606 -5.534 15.127 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 6.872 -6.213 13.469 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 6.037 -5.759 13.579 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 7.396 -5.937 14.221 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 1.183 -7.491 15.796 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 0.290 -7.152 15.729 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 1.084 -8.346 16.214 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 9.918 -7.750 14.686 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 10.616 -7.676 15.336 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 9.537 -8.614 14.841 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 8.438 -5.384 15.803 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 8.557 -4.810 16.560 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 9.093 -6.072 15.918 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 1.826 -10.352 11.093 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 1.597 -10.293 10.166 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 1.383 -11.144 11.400 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 0.784 -2.789 18.958 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 1.192 -3.646 18.837 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 0.524 -2.774 19.879 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 4.731 -3.780 16.332 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 4.113 -3.105 16.613 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 5.075 -3.459 15.499 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 5.071 -6.425 17.415 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 5.221 -7.154 16.812 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 5.073 -5.648 16.856 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 5.483 -8.055 14.907 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 6.019 -7.604 14.255 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 4.631 -8.163 14.485 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 3.549 -5.227 19.326 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 2.782 -5.759 19.116 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 4.228 -5.537 18.727 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 7.553 -6.277 18.902 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 7.317 -6.497 19.804 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 6.770 -6.484 18.393 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 10.269 -7.150 17.978 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 9.321 -7.118 18.110 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 10.581 -7.775 18.632 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 11.903 -8.516 19.983 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 11.806 -9.468 19.977 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 11.581 -8.247 20.844 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 1.730 -7.306 19.031 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 1.941 -8.013 18.420 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 1.618 -7.744 19.875 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 -0.824 -6.283 18.197 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 0.095 -6.405 18.433 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 -1.274 -7.033 18.586 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 -1.022 -9.976 14.556 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 -1.687 -10.222 15.199 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 -1.465 -9.354 13.979 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 11.807 -11.272 19.622 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 11.883 -11.698 20.476 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 12.700 -11.258 19.280 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 1.834 -2.443 32.213 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 1.876 -3.069 32.937 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 2.537 -1.820 32.395 0.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 -0.632 -4.333 26.141 0.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 -1.080 -3.487 26.123 0.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 -1.193 -4.913 25.626 0.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 0.078 -2.171 28.267 0.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 0.292 -2.941 28.794 0.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 0.816 -2.082 27.664 0.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 0.771 -4.733 29.388 0.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 1.425 -5.283 29.820 0.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 0.795 -5.007 28.472 0.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 5.927 -3.183 28.604 0.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 6.543 -3.709 29.113 0.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 5.341 -3.823 28.200 0.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 2.961 -8.212 32.700 0.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 2.742 -7.682 31.934 0.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 2.293 -7.985 33.348 0.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 2.555 -6.320 30.653 0.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 3.168 -5.687 31.026 0.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 3.067 -6.792 29.996 0.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 6.987 -10.906 30.153 0.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 6.870 -11.855 30.099 0.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 6.132 -10.574 30.426 0.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 4.305 -1.229 27.488 0.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 3.975 -1.599 26.669 0.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 4.893 -1.899 27.834 0.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 4.672 -2.460 31.121 0.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 5.237 -2.339 30.358 0.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 4.991 -1.823 31.760 0.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 3.295 -2.159 25.077 0.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 3.003 -1.391 24.586 0.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 2.621 -2.819 24.914 0.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 4.256 -10.003 30.931 0.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 3.395 -10.090 30.523 0.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 4.234 -9.147 31.358 0.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 8.581 -7.788 21.590 0.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 8.327 -7.769 22.513 0.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 8.324 -8.660 21.289 0.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 4.347 -5.037 32.026 0.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 3.705 -5.078 32.735 0.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 4.384 -4.111 31.788 0.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 9.880 -4.400 25.755 0.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 9.471 -3.585 25.463 0.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 10.600 -4.540 25.140 0.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 6.926 -7.389 28.024 0.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 6.015 -7.332 28.313 0.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 7.431 -7.449 28.835 0.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 4.081 -4.565 22.074 0.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 3.539 -4.945 21.383 0.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 4.915 -4.371 21.645 0.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 8.246 -4.601 29.911 0.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 8.810 -5.148 29.364 0.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 8.098 -5.123 30.700 0.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 6.872 -6.213 32.325 0.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 6.037 -5.759 32.435 0.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 7.396 -5.937 33.077 0.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 11.314 -7.186 22.209 0.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 10.376 -7.074 22.058 0.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 11.611 -6.329 22.515 0.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 2.541 -0.705 29.779 0.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 3.286 -0.707 29.178 0.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 2.619 -1.529 30.261 0.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 0.671 -2.325 21.771 0.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 1.287 -1.698 22.150 0.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 -0.191 -2.009 22.042 0.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 2.086 -0.412 23.263 0.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 1.400 -0.060 23.830 0.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 2.609 0.351 23.017 0.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 10.702 -8.098 24.639 0.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 10.922 -7.626 23.836 0.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 11.260 -7.703 25.310 0.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 7.902 -6.370 25.474 0.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 8.714 -5.866 25.520 0.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 7.657 -6.515 26.388 0.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 8.786 -9.289 26.412 0.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 8.439 -8.671 27.057 0.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 9.444 -8.788 25.931 0.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 1.018 -5.134 21.276 0.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 0.973 -4.195 21.455 0.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 0.130 -5.370 21.006 0.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 1.826 -10.352 29.949 0.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 1.597 -10.293 29.022 0.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 1.383 -11.144 30.256 0.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 5.442 -1.673 22.832 0.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 4.983 -2.157 23.518 0.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 5.697 -2.341 22.196 0.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 6.513 -3.430 21.095 0.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 6.333 -3.584 20.167 0.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 7.464 -3.322 21.139 0.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 0.397 -7.971 29.944 0.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 0.842 -8.763 30.246 0.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 0.863 -7.255 30.375 0.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 -1.299 -4.972 31.013 0.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 -0.807 -5.193 30.223 0.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 -0.937 -4.131 31.294 0.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 9.128 -9.103 29.421 0.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 8.453 -9.732 29.676 0.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 9.692 -9.587 28.818 0.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 7.178 -8.462 23.946 0.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 7.356 -9.108 24.629 0.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 7.124 -7.628 24.413 0.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 2.961 10.644 -23.868 0.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 2.742 11.174 -24.634 0.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 2.293 10.871 -23.220 0.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 6.987 7.950 -26.415 0.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 6.870 7.001 -26.469 0.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 6.132 8.282 -26.142 0.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 4.256 8.853 -25.637 0.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 3.395 8.766 -26.045 0.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 4.234 9.709 -25.210 0.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 8.919 8.575 -22.263 0.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 9.339 8.160 -21.510 0.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 7.986 8.397 -22.146 0.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 1.183 11.365 -21.916 0.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 0.290 11.704 -21.983 0.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 1.084 10.510 -21.498 0.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 1.826 8.504 -26.619 0.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 1.597 8.563 -27.546 0.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 1.383 7.712 -26.312 0.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 5.071 12.431 -20.297 0.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 5.221 11.702 -20.900 0.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 5.073 13.208 -20.856 0.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 5.483 10.801 -22.805 0.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 6.019 11.252 -23.457 0.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 4.631 10.693 -23.227 0.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 6.289 8.257 -22.373 0.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 6.191 9.204 -22.479 0.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 5.546 7.885 -22.849 0.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 1.730 11.550 -18.681 0.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 1.941 10.843 -19.292 0.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 1.618 11.112 -17.837 0.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 6.864 9.234 -17.648 0.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 6.733 8.758 -18.469 0.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 6.265 9.978 -17.704 0.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 -0.824 12.573 -19.515 0.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 0.095 12.451 -19.279 0.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 -1.274 11.823 -19.126 0.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 -1.022 8.880 -23.156 0.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 -1.687 8.634 -22.513 0.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 -1.465 9.502 -23.733 0.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 5.463 11.513 -17.021 0.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 5.032 11.068 -16.291 0.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 4.745 11.885 -17.533 0.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 4.443 10.630 -14.612 0.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 4.360 11.519 -14.266 0.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 5.333 10.365 -14.381 0.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 0.291 8.185 -14.666 0.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 0.730 8.796 -15.257 0.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 -0.343 8.723 -14.192 0.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 2.152 10.101 -16.223 0.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 2.643 9.471 -16.751 0.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 2.775 10.397 -15.560 0.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 20.690 -59.011 -5.499 0.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 20.732 -59.637 -4.775 0.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 21.393 -58.388 -5.317 0.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 21.614 -54.561 -6.964 0.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 21.244 -55.363 -7.333 0.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 22.555 -54.730 -6.917 0.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 24.386 -57.104 -4.724 0.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 23.646 -56.506 -4.621 0.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 25.100 -56.550 -5.040 0.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 22.794 -55.140 -3.937 0.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 22.788 -54.261 -4.315 0.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 21.940 -55.223 -3.512 0.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 24.408 -54.629 -1.874 0.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 24.096 -53.847 -1.418 0.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 23.758 -54.782 -2.560 0.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 21.328 -58.431 -2.645 0.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 21.398 -57.780 -1.947 0.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 20.437 -58.328 -2.980 0.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 22.647 -52.557 -1.110 0.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 22.655 -52.693 -2.058 0.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 21.731 -52.675 -0.858 0.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 17.995 -53.584 -6.936 0.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 18.941 -53.728 -6.955 0.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 17.882 -52.800 -6.399 0.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 21.239 -50.783 -10.791 0.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 21.391 -51.131 -9.912 0.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 20.388 -51.139 -11.046 0.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 20.953 -61.285 -3.819 0.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 20.915 -60.885 -2.951 0.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 20.462 -62.102 -3.729 0.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 18.405 -58.812 -2.618 0.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 18.628 -59.230 -1.786 0.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 17.803 -59.425 -3.040 0.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 25.714 -51.943 -4.637 0.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 26.077 -51.088 -4.870 0.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 26.246 -52.235 -3.896 0.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 25.463 -56.587 0.115 0.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 25.135 -56.316 -0.743 0.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 25.615 -57.528 0.027 0.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 19.640 -59.357 0.102 0.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 20.048 -60.214 -0.019 0.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 19.380 -59.342 1.023 0.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 17.484 -49.278 -11.056 0.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 16.837 -49.740 -11.589 0.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 17.839 -49.950 -10.473 0.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 18.354 -51.197 -9.251 0.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 18.020 -52.078 -9.079 0.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 18.576 -50.852 -8.387 0.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 18.434 -58.122 -6.800 0.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 18.618 -58.204 -7.735 0.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 19.283 -58.246 -6.376 0.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 18.032 -62.851 -0.659 0.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 18.951 -62.973 -0.423 0.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 17.582 -63.601 -0.270 0.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 22.980 -52.394 -3.897 0.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 22.555 -51.585 -4.180 0.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 23.885 -52.309 -4.199 0.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 27.291 -50.995 -0.938 0.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 27.476 -51.329 -0.060 0.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 28.138 -50.686 -1.260 0.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 21.938 -51.805 -8.284 0.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 21.719 -52.721 -8.115 0.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 22.762 -51.665 -7.818 0.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 24.475 -51.335 -7.436 0.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 24.688 -52.223 -7.723 0.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 24.540 -51.369 -6.481 0.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 19.048 -51.291 -13.768 0.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 18.363 -51.329 -14.436 0.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 19.051 -50.378 -13.480 0.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 18.224 -60.901 7.285 0.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 17.776 -60.055 7.267 0.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 17.663 -61.481 6.770 0.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 18.934 -58.739 9.411 0.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 19.148 -59.509 9.938 0.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 19.672 -58.650 8.808 0.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 19.627 -61.301 10.532 0.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 20.281 -61.851 10.964 0.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 19.651 -61.575 9.616 0.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 22.151 -58.727 6.221 0.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 21.859 -57.959 5.730 0.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 21.477 -59.387 6.058 0.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 17.995 -53.584 11.920 0.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 18.941 -53.728 11.901 0.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 17.882 -52.800 12.457 0.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 21.239 -50.783 8.065 0.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 21.391 -51.131 8.944 0.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 20.388 -51.139 7.810 0.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 18.836 -63.423 4.311 0.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 19.310 -62.832 3.726 0.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 18.118 -62.892 4.658 0.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 19.527 -58.893 2.915 0.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 20.143 -58.266 3.294 0.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 18.665 -58.577 3.186 0.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 25.552 -53.803 1.441 0.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 25.791 -54.551 0.893 0.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 25.283 -54.191 2.273 0.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 24.489 -54.233 3.897 0.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 24.636 -54.753 4.687 0.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 24.486 -53.326 4.203 0.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 20.942 -56.980 4.407 0.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 20.256 -56.628 4.974 0.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 21.465 -56.217 4.161 0.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 24.565 -51.492 4.628 0.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 24.726 -50.692 4.127 0.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 24.368 -51.185 5.513 0.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 21.558 -54.366 3.304 0.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 22.150 -53.667 3.580 0.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 22.017 -54.799 2.585 0.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 19.874 -61.702 2.420 0.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 19.829 -60.763 2.599 0.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 18.986 -61.938 2.150 0.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 19.612 -52.980 7.254 0.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 18.780 -52.507 7.281 0.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 20.158 -52.470 6.655 0.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 18.901 -50.367 18.584 0.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 19.441 -50.584 19.343 0.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 18.420 -51.173 18.394 0.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 27.590 -51.940 1.579 0.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 26.946 -52.571 1.901 0.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 28.352 -52.471 1.347 0.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 23.149 -56.213 1.670 0.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 23.213 -57.007 2.201 0.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 23.802 -56.332 0.981 0.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 25.267 -49.307 3.240 0.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 26.200 -49.149 3.384 0.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 25.003 -48.632 2.615 0.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 17.484 -49.278 7.800 0.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 16.837 -49.740 7.267 0.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 17.839 -49.950 8.383 0.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 18.354 -51.197 9.605 0.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 18.020 -52.078 9.777 0.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 18.576 -50.852 10.469 0.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 18.434 -58.122 12.056 0.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 18.618 -58.204 11.121 0.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 19.283 -58.246 12.480 0.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 20.382 -49.138 15.006 0.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 19.662 -48.698 14.555 0.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 20.016 -49.389 15.855 0.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 19.797 -50.515 11.917 0.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 19.778 -50.940 12.774 0.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 20.602 -50.833 11.508 0.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 19.048 -51.291 5.088 0.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 18.363 -51.329 4.420 0.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 19.051 -50.378 5.376 0.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 20.690 -40.155 -5.499 0.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 20.732 -40.781 -4.775 0.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 21.393 -39.532 -5.317 0.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 18.224 -42.045 -11.571 0.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 17.776 -41.199 -11.589 0.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 17.663 -42.625 -12.086 0.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 18.934 -39.883 -9.445 0.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 19.148 -40.653 -8.918 0.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 19.672 -39.794 -10.048 0.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 23.007 -44.842 -9.086 0.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 23.050 -43.982 -9.504 0.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 22.549 -45.394 -9.719 0.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 19.627 -42.445 -8.324 0.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 20.281 -42.995 -7.892 0.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 19.651 -42.719 -9.240 0.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 21.411 -44.032 -7.059 0.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 22.024 -43.399 -6.686 0.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 21.923 -44.504 -7.716 0.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 22.794 -36.284 -3.937 0.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 22.788 -35.405 -4.315 0.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 21.940 -36.367 -3.512 0.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 25.843 -48.618 -7.559 0.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 25.726 -49.567 -7.613 0.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 24.988 -48.286 -7.286 0.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 23.528 -40.172 -6.591 0.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 24.093 -40.051 -7.354 0.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 23.847 -39.535 -5.952 0.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 24.408 -35.773 -1.874 0.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 24.096 -34.991 -1.418 0.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 23.758 -35.926 -2.560 0.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 21.328 -39.575 -2.645 0.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 21.398 -38.924 -1.947 0.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 20.437 -39.472 -2.980 0.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 18.244 -37.508 -3.820 0.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 17.743 -37.536 -4.635 0.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 18.250 -38.414 -3.510 0.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 17.995 -34.728 -6.936 0.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 18.941 -34.872 -6.955 0.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 17.882 -33.944 -6.399 0.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 20.493 -36.185 -2.777 0.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 20.710 -36.546 -1.917 0.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 19.638 -36.559 -2.987 0.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 23.112 -47.715 -6.781 0.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 22.251 -47.802 -7.189 0.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 23.090 -46.859 -6.354 0.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 23.203 -42.749 -5.686 0.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 22.561 -42.790 -4.977 0.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 23.240 -41.823 -5.924 0.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 18.836 -44.567 -14.545 0.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 19.310 -43.976 -15.130 0.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 18.118 -44.036 -14.198 0.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 20.610 -43.472 -10.861 0.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 19.721 -43.372 -11.201 0.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 20.906 -44.314 -11.207 0.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 21.072 -37.720 -0.539 0.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 21.805 -37.466 0.022 0.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 20.292 -37.516 -0.024 0.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 22.104 -46.177 -11.383 0.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 21.787 -47.079 -11.418 0.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 22.885 -46.175 -11.935 0.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 25.728 -43.925 -5.387 0.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 24.893 -43.471 -5.277 0.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 26.252 -43.649 -4.635 0.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 21.397 -38.417 -7.933 0.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 22.142 -38.419 -8.534 0.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 21.475 -39.241 -7.451 0.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 25.714 -33.087 -4.637 0.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 26.077 -32.232 -4.870 0.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 26.246 -33.379 -3.896 0.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 19.690 -33.398 -4.625 0.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 19.907 -34.330 -4.656 0.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 19.937 -33.124 -3.741 0.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 19.874 -42.846 -16.436 0.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 19.829 -41.907 -16.257 0.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 18.986 -43.082 -16.706 0.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 20.682 -48.064 -7.763 0.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 20.453 -48.005 -8.690 0.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 20.239 -48.856 -7.456 0.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 18.808 -37.701 0.682 0.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 18.952 -38.603 0.396 0.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 18.035 -37.415 0.194 0.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 25.463 -37.731 0.115 0.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 25.135 -37.460 -0.743 0.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 25.615 -38.672 0.027 0.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 23.587 -41.492 -2.524 0.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 22.969 -40.817 -2.243 0.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 23.931 -41.171 -3.357 0.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 23.927 -44.137 -1.441 0.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 24.077 -44.866 -2.044 0.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 23.929 -43.360 -2.000 0.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 24.339 -45.767 -3.949 0.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 24.875 -45.316 -4.601 0.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 23.487 -45.875 -4.371 0.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 22.405 -42.939 0.470 0.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 21.638 -43.471 0.260 0.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 23.084 -43.249 -0.129 0.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 25.145 -48.311 -3.517 0.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 25.047 -47.364 -3.623 0.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 24.402 -48.683 -3.993 0.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 26.409 -43.989 0.046 0.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 26.173 -44.209 0.948 0.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 25.626 -44.196 -0.463 0.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 25.367 -49.017 -0.846 0.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 26.079 -49.657 -0.860 0.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 25.266 -48.750 -1.760 0.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 25.720 -47.334 1.208 0.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 25.589 -47.810 0.387 0.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 25.121 -46.590 1.152 0.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 18.434 -39.266 -6.800 0.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 18.618 -39.348 -7.735 0.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 19.283 -39.390 -6.376 0.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 19.253 -45.683 -7.768 0.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 19.698 -46.475 -7.466 0.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 19.719 -44.967 -7.337 0.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 17.870 -46.426 -12.644 0.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 16.945 -46.217 -12.774 0.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 18.324 -45.942 -13.334 0.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 22.980 -33.538 -3.897 0.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 22.555 -32.729 -4.180 0.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 23.885 -33.453 -4.199 0.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 27.291 -32.139 -0.938 0.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 27.476 -32.473 -0.060 0.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 28.138 -31.830 -1.260 0.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 20.382 -30.282 -3.850 0.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 19.662 -29.842 -4.301 0.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 20.016 -30.533 -3.001 0.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 22.849 -30.682 -4.820 0.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 21.984 -30.610 -4.416 0.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 22.794 -30.135 -5.604 0.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 19.797 -31.659 -6.939 0.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 19.778 -32.084 -6.082 0.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 20.602 -31.977 -7.348 0.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 20.310 -48.181 -10.469 0.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 19.533 -48.415 -10.977 0.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 20.841 -48.978 -10.461 0.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 19.147 -48.383 -14.666 0.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 19.586 -47.772 -15.257 0.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 18.513 -47.845 -14.192 0.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 21.614 -35.705 11.892 0.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 21.244 -36.507 11.523 0.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 22.555 -35.874 11.939 0.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 23.007 -44.842 9.770 0.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 23.050 -43.982 9.352 0.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 22.549 -45.394 9.137 0.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 19.627 -42.445 10.532 0.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 20.281 -42.995 10.964 0.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 19.651 -42.719 9.616 0.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 21.817 -45.924 13.844 0.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 21.598 -45.394 13.078 0.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 21.149 -45.697 14.492 0.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 24.386 -38.248 14.132 0.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 23.646 -37.650 14.235 0.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 25.100 -37.694 13.816 0.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 21.411 -44.032 11.797 0.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 22.024 -43.399 12.170 0.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 21.923 -44.504 11.140 0.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 22.794 -36.284 14.919 0.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 22.788 -35.405 14.541 0.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 21.940 -36.367 15.344 0.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 23.161 -38.941 8.632 0.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 22.831 -39.311 7.813 0.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 23.749 -39.611 8.978 0.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 24.528 -35.513 11.313 0.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 24.433 -36.091 10.556 0.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 25.257 -35.884 11.809 0.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 23.528 -40.172 12.265 0.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 24.093 -40.051 11.502 0.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 23.847 -39.535 12.904 0.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 24.408 -35.773 16.982 0.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 24.096 -34.991 17.438 0.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 23.758 -35.926 16.296 0.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 22.647 -33.701 17.746 0.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 22.655 -33.837 16.798 0.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 21.731 -33.819 17.998 0.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 22.151 -39.871 6.221 0.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 21.859 -39.103 5.730 0.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 21.477 -40.531 6.058 0.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 27.585 -30.716 6.284 0.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 27.510 -30.837 5.338 0.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 27.618 -29.766 6.403 0.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 23.203 -42.749 13.170 0.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 22.561 -42.790 13.879 0.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 23.240 -41.823 12.932 0.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 23.200 -42.528 8.082 0.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 22.307 -42.869 8.023 0.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 23.651 -42.905 7.326 0.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 24.319 -45.055 1.835 0.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 23.888 -45.500 2.565 0.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 23.601 -44.683 1.323 0.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 20.610 -43.472 7.995 0.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 19.721 -43.372 7.655 0.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 20.906 -44.314 7.649 0.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 24.263 -43.472 5.651 0.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 25.195 -43.343 5.829 0.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 24.048 -42.802 5.002 0.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 22.937 -42.277 3.218 0.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 22.395 -42.657 2.527 0.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 23.771 -42.083 2.789 0.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 22.104 -46.177 7.473 0.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 21.787 -47.079 7.438 0.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 22.885 -46.175 6.921 0.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 21.397 -38.417 10.923 0.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 22.142 -38.419 10.322 0.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 21.475 -39.241 11.405 0.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 23.772 -34.899 8.328 0.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 24.299 -34.126 8.127 0.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 22.892 -34.674 8.026 0.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 19.527 -40.037 2.915 0.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 20.143 -39.410 3.294 0.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 18.665 -39.721 3.186 0.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 25.199 -37.236 7.904 0.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 24.958 -36.311 7.946 0.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 24.459 -37.695 8.300 0.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 23.883 -32.214 7.449 0.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 22.933 -32.109 7.501 0.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 24.234 -31.394 7.794 0.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 25.552 -34.947 1.441 0.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 25.791 -35.695 0.893 0.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 25.283 -35.335 2.273 0.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 24.489 -35.377 3.897 0.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 24.636 -35.897 4.687 0.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 24.486 -34.470 4.203 0.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 27.227 -33.679 4.646 0.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 26.410 -33.182 4.699 0.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 27.756 -33.204 4.006 0.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 24.565 -32.636 4.628 0.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 24.726 -31.836 4.127 0.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 24.368 -32.329 5.513 0.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 23.299 -45.938 4.244 0.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 23.216 -45.049 4.590 0.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 24.189 -46.203 4.475 0.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 20.682 -48.064 11.093 0.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 20.453 -48.005 10.166 0.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 20.239 -48.856 11.400 0.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 18.901 -31.511 18.584 0.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 19.441 -31.728 19.343 0.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 18.420 -32.317 18.394 0.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 27.590 -33.084 1.579 0.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 26.946 -33.715 1.901 0.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 28.352 -33.615 1.347 0.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 23.149 -37.357 1.670 0.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 23.213 -38.151 2.201 0.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 23.802 -37.476 0.981 0.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 25.463 -37.731 18.971 0.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 25.135 -37.460 18.113 0.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 25.615 -38.672 18.883 0.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 24.298 -39.385 3.976 0.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 23.839 -39.869 4.662 0.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 24.553 -40.053 3.340 0.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 23.587 -41.492 16.332 0.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 22.969 -40.817 16.613 0.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 23.931 -41.171 15.499 0.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 23.927 -44.137 17.415 0.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 24.077 -44.866 16.812 0.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 23.929 -43.360 16.856 0.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 24.339 -45.767 14.907 0.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 24.875 -45.316 14.255 0.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 23.487 -45.875 14.485 0.00 0.00 WAT1 ATOM 6668 OH2 TIP3 1421 22.405 -42.939 19.326 0.00 0.00 WAT1 ATOM 6669 H1 TIP3 1421 21.638 -43.471 19.116 0.00 0.00 WAT1 ATOM 6670 H2 TIP3 1421 23.084 -43.249 18.727 0.00 0.00 WAT1 ATOM 6671 OH2 TIP3 1422 20.586 -45.018 19.031 0.00 0.00 WAT1 ATOM 6672 H1 TIP3 1422 20.797 -45.725 18.420 0.00 0.00 WAT1 ATOM 6673 H2 TIP3 1422 20.474 -45.456 19.875 0.00 0.00 WAT1 ATOM 6674 OH2 TIP3 1423 25.267 -30.451 3.240 0.00 0.00 WAT1 ATOM 6675 H1 TIP3 1423 26.200 -30.293 3.384 0.00 0.00 WAT1 ATOM 6676 H2 TIP3 1423 25.003 -29.776 2.615 0.00 0.00 WAT1 ATOM 6677 OH2 TIP3 1424 19.253 -45.683 11.088 0.00 0.00 WAT1 ATOM 6678 H1 TIP3 1424 19.698 -46.475 11.390 0.00 0.00 WAT1 ATOM 6679 H2 TIP3 1424 19.719 -44.967 11.519 0.00 0.00 WAT1 ATOM 6680 OH2 TIP3 1425 17.834 -47.688 14.556 0.00 0.00 WAT1 ATOM 6681 H1 TIP3 1425 17.169 -47.934 15.199 0.00 0.00 WAT1 ATOM 6682 H2 TIP3 1425 17.391 -47.066 13.979 0.00 0.00 WAT1 ATOM 6683 OH2 TIP3 1426 20.026 -34.513 18.700 0.00 0.00 WAT1 ATOM 6684 H1 TIP3 1426 19.205 -34.338 18.240 0.00 0.00 WAT1 ATOM 6685 H2 TIP3 1426 19.774 -34.586 19.621 0.00 0.00 WAT1 ATOM 6686 OH2 TIP3 1427 22.980 -33.538 14.959 0.00 0.00 WAT1 ATOM 6687 H1 TIP3 1427 22.555 -32.729 14.676 0.00 0.00 WAT1 ATOM 6688 H2 TIP3 1427 23.885 -33.453 14.657 0.00 0.00 WAT1 ATOM 6689 OH2 TIP3 1428 20.382 -30.282 15.006 0.00 0.00 WAT1 ATOM 6690 H1 TIP3 1428 19.662 -29.842 14.555 0.00 0.00 WAT1 ATOM 6691 H2 TIP3 1428 20.016 -30.533 15.855 0.00 0.00 WAT1 ATOM 6692 OH2 TIP3 1429 22.849 -30.682 14.036 0.00 0.00 WAT1 ATOM 6693 H1 TIP3 1429 21.984 -30.610 14.440 0.00 0.00 WAT1 ATOM 6694 H2 TIP3 1429 22.794 -30.135 13.252 0.00 0.00 WAT1 ATOM 6695 OH2 TIP3 1430 21.938 -32.949 10.572 0.00 0.00 WAT1 ATOM 6696 H1 TIP3 1430 21.719 -33.865 10.741 0.00 0.00 WAT1 ATOM 6697 H2 TIP3 1430 22.762 -32.809 11.038 0.00 0.00 WAT1 ATOM 6698 OH2 TIP3 1431 24.475 -32.479 11.420 0.00 0.00 WAT1 ATOM 6699 H1 TIP3 1431 24.688 -33.367 11.133 0.00 0.00 WAT1 ATOM 6700 H2 TIP3 1431 24.540 -32.513 12.375 0.00 0.00 WAT1 ATOM 6701 OH2 TIP3 1432 20.310 -48.181 8.387 0.00 0.00 WAT1 ATOM 6702 H1 TIP3 1432 19.533 -48.415 7.879 0.00 0.00 WAT1 ATOM 6703 H2 TIP3 1432 20.841 -48.978 8.395 0.00 0.00 WAT1 ATOM 6704 OH2 TIP3 1433 27.912 -31.225 3.485 0.00 0.00 WAT1 ATOM 6705 H1 TIP3 1433 28.778 -30.859 3.307 0.00 0.00 WAT1 ATOM 6706 H2 TIP3 1433 27.665 -31.665 2.672 0.00 0.00 WAT1 ATOM 6707 OH2 TIP3 1434 20.268 -47.667 17.904 0.00 0.00 WAT1 ATOM 6708 H1 TIP3 1434 19.902 -48.432 18.347 0.00 0.00 WAT1 ATOM 6709 H2 TIP3 1434 21.181 -47.638 18.191 0.00 0.00 WAT1 ATOM 6710 OH2 TIP3 1435 18.915 -36.613 24.557 0.00 0.00 WAT1 ATOM 6711 H1 TIP3 1435 18.643 -36.384 23.668 0.00 0.00 WAT1 ATOM 6712 H2 TIP3 1435 18.960 -35.775 25.017 0.00 0.00 WAT1 ATOM 6713 OH2 TIP3 1436 18.836 -44.567 23.167 0.00 0.00 WAT1 ATOM 6714 H1 TIP3 1436 19.310 -43.976 22.582 0.00 0.00 WAT1 ATOM 6715 H2 TIP3 1436 18.118 -44.036 23.514 0.00 0.00 WAT1 ATOM 6716 OH2 TIP3 1437 22.937 -42.277 22.074 0.00 0.00 WAT1 ATOM 6717 H1 TIP3 1437 22.395 -42.657 21.383 0.00 0.00 WAT1 ATOM 6718 H2 TIP3 1437 23.771 -42.083 21.645 0.00 0.00 WAT1 ATOM 6719 OH2 TIP3 1438 19.527 -40.037 21.771 0.00 0.00 WAT1 ATOM 6720 H1 TIP3 1438 20.143 -39.410 22.150 0.00 0.00 WAT1 ATOM 6721 H2 TIP3 1438 18.665 -39.721 22.042 0.00 0.00 WAT1 ATOM 6722 OH2 TIP3 1439 20.942 -38.124 23.263 0.00 0.00 WAT1 ATOM 6723 H1 TIP3 1439 20.256 -37.772 23.830 0.00 0.00 WAT1 ATOM 6724 H2 TIP3 1439 21.465 -37.361 23.017 0.00 0.00 WAT1 ATOM 6725 OH2 TIP3 1440 21.558 -35.510 22.160 0.00 0.00 WAT1 ATOM 6726 H1 TIP3 1440 22.150 -34.811 22.436 0.00 0.00 WAT1 ATOM 6727 H2 TIP3 1440 22.017 -35.943 21.441 0.00 0.00 WAT1 ATOM 6728 OH2 TIP3 1441 19.874 -42.846 21.276 0.00 0.00 WAT1 ATOM 6729 H1 TIP3 1441 19.829 -41.907 21.455 0.00 0.00 WAT1 ATOM 6730 H2 TIP3 1441 18.986 -43.082 21.006 0.00 0.00 WAT1 ATOM 6731 OH2 TIP3 1442 19.612 -34.124 26.110 0.00 0.00 WAT1 ATOM 6732 H1 TIP3 1442 18.780 -33.651 26.137 0.00 0.00 WAT1 ATOM 6733 H2 TIP3 1442 20.158 -33.614 25.511 0.00 0.00 WAT1 ATOM 6734 OH2 TIP3 1443 23.149 -37.357 20.526 0.00 0.00 WAT1 ATOM 6735 H1 TIP3 1443 23.213 -38.151 21.057 0.00 0.00 WAT1 ATOM 6736 H2 TIP3 1443 23.802 -37.476 19.837 0.00 0.00 WAT1 ATOM 6737 OH2 TIP3 1444 18.835 -35.815 21.579 0.00 0.00 WAT1 ATOM 6738 H1 TIP3 1444 19.749 -35.736 21.852 0.00 0.00 WAT1 ATOM 6739 H2 TIP3 1444 18.842 -36.502 20.912 0.00 0.00 WAT1 ATOM 6740 OH2 TIP3 1445 17.484 -30.422 26.656 0.00 0.00 WAT1 ATOM 6741 H1 TIP3 1445 16.837 -30.884 26.123 0.00 0.00 WAT1 ATOM 6742 H2 TIP3 1445 17.839 -31.094 27.239 0.00 0.00 WAT1 ATOM 6743 OH2 TIP3 1446 18.354 -32.341 28.461 0.00 0.00 WAT1 ATOM 6744 H1 TIP3 1446 18.020 -33.222 28.633 0.00 0.00 WAT1 ATOM 6745 H2 TIP3 1446 18.576 -31.996 29.325 0.00 0.00 WAT1 ATOM 6746 OH2 TIP3 1447 19.048 -32.435 23.944 0.00 0.00 WAT1 ATOM 6747 H1 TIP3 1447 18.363 -32.473 23.276 0.00 0.00 WAT1 ATOM 6748 H2 TIP3 1447 19.051 -31.522 24.232 0.00 0.00 WAT1 ATOM 6749 OH2 TIP3 1448 21.008 -46.467 21.489 0.00 0.00 WAT1 ATOM 6750 H1 TIP3 1448 21.499 -47.097 20.961 0.00 0.00 WAT1 ATOM 6751 H2 TIP3 1448 21.631 -46.171 22.152 0.00 0.00 WAT1 ATOM 6752 OH2 TIP3 1449 20.866 -31.515 20.969 0.00 0.00 WAT1 ATOM 6753 H1 TIP3 1449 20.598 -31.228 21.842 0.00 0.00 WAT1 ATOM 6754 H2 TIP3 1449 21.637 -32.061 21.121 0.00 0.00 WAT1 ATOM 6755 OH2 TIP3 1450 21.817 -27.068 -5.012 0.00 0.00 WAT1 ATOM 6756 H1 TIP3 1450 21.598 -26.538 -5.778 0.00 0.00 WAT1 ATOM 6757 H2 TIP3 1450 21.149 -26.841 -4.364 0.00 0.00 WAT1 ATOM 6758 OH2 TIP3 1451 18.405 -21.100 -2.618 0.00 0.00 WAT1 ATOM 6759 H1 TIP3 1451 18.628 -21.518 -1.786 0.00 0.00 WAT1 ATOM 6760 H2 TIP3 1451 17.803 -21.713 -3.040 0.00 0.00 WAT1 ATOM 6761 OH2 TIP3 1452 20.039 -26.347 -3.060 0.00 0.00 WAT1 ATOM 6762 H1 TIP3 1452 19.146 -26.008 -3.127 0.00 0.00 WAT1 ATOM 6763 H2 TIP3 1452 19.940 -27.202 -2.642 0.00 0.00 WAT1 ATOM 6764 OH2 TIP3 1453 18.808 -18.845 0.682 0.00 0.00 WAT1 ATOM 6765 H1 TIP3 1453 18.952 -19.747 0.396 0.00 0.00 WAT1 ATOM 6766 H2 TIP3 1453 18.035 -18.559 0.194 0.00 0.00 WAT1 ATOM 6767 OH2 TIP3 1454 19.640 -21.645 0.102 0.00 0.00 WAT1 ATOM 6768 H1 TIP3 1454 20.048 -22.502 -0.019 0.00 0.00 WAT1 ATOM 6769 H2 TIP3 1454 19.380 -21.630 1.023 0.00 0.00 WAT1 ATOM 6770 OH2 TIP3 1455 23.927 -25.281 -1.441 0.00 0.00 WAT1 ATOM 6771 H1 TIP3 1455 24.077 -26.010 -2.044 0.00 0.00 WAT1 ATOM 6772 H2 TIP3 1455 23.929 -24.504 -2.000 0.00 0.00 WAT1 ATOM 6773 OH2 TIP3 1456 24.339 -26.911 -3.949 0.00 0.00 WAT1 ATOM 6774 H1 TIP3 1456 24.875 -26.460 -4.601 0.00 0.00 WAT1 ATOM 6775 H2 TIP3 1456 23.487 -27.019 -4.371 0.00 0.00 WAT1 ATOM 6776 OH2 TIP3 1457 22.405 -24.083 0.470 0.00 0.00 WAT1 ATOM 6777 H1 TIP3 1457 21.638 -24.615 0.260 0.00 0.00 WAT1 ATOM 6778 H2 TIP3 1457 23.084 -24.393 -0.129 0.00 0.00 WAT1 ATOM 6779 OH2 TIP3 1458 25.145 -29.455 -3.517 0.00 0.00 WAT1 ATOM 6780 H1 TIP3 1458 25.047 -28.508 -3.623 0.00 0.00 WAT1 ATOM 6781 H2 TIP3 1458 24.402 -29.827 -3.993 0.00 0.00 WAT1 ATOM 6782 OH2 TIP3 1459 20.586 -26.162 0.175 0.00 0.00 WAT1 ATOM 6783 H1 TIP3 1459 20.797 -26.869 -0.436 0.00 0.00 WAT1 ATOM 6784 H2 TIP3 1459 20.474 -26.600 1.019 0.00 0.00 WAT1 ATOM 6785 OH2 TIP3 1460 25.367 -30.161 -0.846 0.00 0.00 WAT1 ATOM 6786 H1 TIP3 1460 26.079 -30.801 -0.860 0.00 0.00 WAT1 ATOM 6787 H2 TIP3 1460 25.266 -29.894 -1.760 0.00 0.00 WAT1 ATOM 6788 OH2 TIP3 1461 25.720 -28.478 1.208 0.00 0.00 WAT1 ATOM 6789 H1 TIP3 1461 25.589 -28.954 0.387 0.00 0.00 WAT1 ATOM 6790 H2 TIP3 1461 25.121 -27.734 1.152 0.00 0.00 WAT1 ATOM 6791 OH2 TIP3 1462 18.032 -25.139 -0.659 0.00 0.00 WAT1 ATOM 6792 H1 TIP3 1462 18.951 -25.261 -0.423 0.00 0.00 WAT1 ATOM 6793 H2 TIP3 1462 17.582 -25.889 -0.270 0.00 0.00 WAT1 ATOM 6794 OH2 TIP3 1463 17.834 -28.832 -4.300 0.00 0.00 WAT1 ATOM 6795 H1 TIP3 1463 17.169 -29.078 -3.657 0.00 0.00 WAT1 ATOM 6796 H2 TIP3 1463 17.391 -28.210 -4.877 0.00 0.00 WAT1 ATOM 6797 OH2 TIP3 1464 20.690 -21.299 13.357 0.00 0.00 WAT1 ATOM 6798 H1 TIP3 1464 20.732 -21.925 14.081 0.00 0.00 WAT1 ATOM 6799 H2 TIP3 1464 21.393 -20.676 13.539 0.00 0.00 WAT1 ATOM 6800 OH2 TIP3 1465 24.783 -22.039 9.748 0.00 0.00 WAT1 ATOM 6801 H1 TIP3 1465 25.399 -22.565 10.257 0.00 0.00 WAT1 ATOM 6802 H2 TIP3 1465 24.197 -22.679 9.344 0.00 0.00 WAT1 ATOM 6803 OH2 TIP3 1466 21.817 -27.068 13.844 0.00 0.00 WAT1 ATOM 6804 H1 TIP3 1466 21.598 -26.538 13.078 0.00 0.00 WAT1 ATOM 6805 H2 TIP3 1466 21.149 -26.841 14.492 0.00 0.00 WAT1 ATOM 6806 OH2 TIP3 1467 18.915 -17.757 5.701 0.00 0.00 WAT1 ATOM 6807 H1 TIP3 1467 18.643 -17.528 4.812 0.00 0.00 WAT1 ATOM 6808 H2 TIP3 1467 18.960 -16.919 6.161 0.00 0.00 WAT1 ATOM 6809 OH2 TIP3 1468 25.843 -29.762 11.297 0.00 0.00 WAT1 ATOM 6810 H1 TIP3 1468 25.726 -30.711 11.243 0.00 0.00 WAT1 ATOM 6811 H2 TIP3 1468 24.988 -29.430 11.570 0.00 0.00 WAT1 ATOM 6812 OH2 TIP3 1469 23.161 -20.085 8.632 0.00 0.00 WAT1 ATOM 6813 H1 TIP3 1469 22.831 -20.455 7.813 0.00 0.00 WAT1 ATOM 6814 H2 TIP3 1469 23.749 -20.755 8.978 0.00 0.00 WAT1 ATOM 6815 OH2 TIP3 1470 23.528 -21.316 12.265 0.00 0.00 WAT1 ATOM 6816 H1 TIP3 1470 24.093 -21.195 11.502 0.00 0.00 WAT1 ATOM 6817 H2 TIP3 1470 23.847 -20.679 12.904 0.00 0.00 WAT1 ATOM 6818 OH2 TIP3 1471 21.328 -20.719 16.211 0.00 0.00 WAT1 ATOM 6819 H1 TIP3 1471 21.398 -20.068 16.909 0.00 0.00 WAT1 ATOM 6820 H2 TIP3 1471 20.437 -20.616 15.876 0.00 0.00 WAT1 ATOM 6821 OH2 TIP3 1472 22.151 -21.015 6.221 0.00 0.00 WAT1 ATOM 6822 H1 TIP3 1472 21.859 -20.247 5.730 0.00 0.00 WAT1 ATOM 6823 H2 TIP3 1472 21.477 -21.675 6.058 0.00 0.00 WAT1 ATOM 6824 OH2 TIP3 1473 18.244 -18.652 15.036 0.00 0.00 WAT1 ATOM 6825 H1 TIP3 1473 17.743 -18.680 14.221 0.00 0.00 WAT1 ATOM 6826 H2 TIP3 1473 18.250 -19.558 15.346 0.00 0.00 WAT1 ATOM 6827 OH2 TIP3 1474 23.203 -23.893 13.170 0.00 0.00 WAT1 ATOM 6828 H1 TIP3 1474 22.561 -23.934 13.879 0.00 0.00 WAT1 ATOM 6829 H2 TIP3 1474 23.240 -22.967 12.932 0.00 0.00 WAT1 ATOM 6830 OH2 TIP3 1475 23.200 -23.672 8.082 0.00 0.00 WAT1 ATOM 6831 H1 TIP3 1475 22.307 -24.013 8.023 0.00 0.00 WAT1 ATOM 6832 H2 TIP3 1475 23.651 -24.049 7.326 0.00 0.00 WAT1 ATOM 6833 OH2 TIP3 1476 20.953 -23.573 15.037 0.00 0.00 WAT1 ATOM 6834 H1 TIP3 1476 20.915 -23.173 15.905 0.00 0.00 WAT1 ATOM 6835 H2 TIP3 1476 20.462 -24.390 15.127 0.00 0.00 WAT1 ATOM 6836 OH2 TIP3 1477 24.319 -26.199 1.835 0.00 0.00 WAT1 ATOM 6837 H1 TIP3 1477 23.888 -26.644 2.565 0.00 0.00 WAT1 ATOM 6838 H2 TIP3 1477 23.601 -25.827 1.323 0.00 0.00 WAT1 ATOM 6839 OH2 TIP3 1478 25.782 -26.245 9.168 0.00 0.00 WAT1 ATOM 6840 H1 TIP3 1478 24.871 -26.188 9.457 0.00 0.00 WAT1 ATOM 6841 H2 TIP3 1478 26.287 -26.305 9.979 0.00 0.00 WAT1 ATOM 6842 OH2 TIP3 1479 24.263 -24.616 5.651 0.00 0.00 WAT1 ATOM 6843 H1 TIP3 1479 25.195 -24.487 5.829 0.00 0.00 WAT1 ATOM 6844 H2 TIP3 1479 24.048 -23.946 5.002 0.00 0.00 WAT1 ATOM 6845 OH2 TIP3 1480 22.937 -23.421 3.218 0.00 0.00 WAT1 ATOM 6846 H1 TIP3 1480 22.395 -23.801 2.527 0.00 0.00 WAT1 ATOM 6847 H2 TIP3 1480 23.771 -23.227 2.789 0.00 0.00 WAT1 ATOM 6848 OH2 TIP3 1481 21.072 -18.864 18.317 0.00 0.00 WAT1 ATOM 6849 H1 TIP3 1481 21.805 -18.610 18.878 0.00 0.00 WAT1 ATOM 6850 H2 TIP3 1481 20.292 -18.660 18.832 0.00 0.00 WAT1 ATOM 6851 OH2 TIP3 1482 27.102 -23.457 11.055 0.00 0.00 WAT1 ATOM 6852 H1 TIP3 1482 27.666 -24.004 10.508 0.00 0.00 WAT1 ATOM 6853 H2 TIP3 1482 26.954 -23.979 11.844 0.00 0.00 WAT1 ATOM 6854 OH2 TIP3 1483 25.728 -25.069 13.469 0.00 0.00 WAT1 ATOM 6855 H1 TIP3 1483 24.893 -24.615 13.579 0.00 0.00 WAT1 ATOM 6856 H2 TIP3 1483 26.252 -24.793 14.221 0.00 0.00 WAT1 ATOM 6857 OH2 TIP3 1484 21.397 -19.561 10.923 0.00 0.00 WAT1 ATOM 6858 H1 TIP3 1484 22.142 -19.563 10.322 0.00 0.00 WAT1 ATOM 6859 H2 TIP3 1484 21.475 -20.385 11.405 0.00 0.00 WAT1 ATOM 6860 OH2 TIP3 1485 18.405 -21.100 16.238 0.00 0.00 WAT1 ATOM 6861 H1 TIP3 1485 18.628 -21.518 17.070 0.00 0.00 WAT1 ATOM 6862 H2 TIP3 1485 17.803 -21.713 15.816 0.00 0.00 WAT1 ATOM 6863 OH2 TIP3 1486 19.527 -21.181 2.915 0.00 0.00 WAT1 ATOM 6864 H1 TIP3 1486 20.143 -20.554 3.294 0.00 0.00 WAT1 ATOM 6865 H2 TIP3 1486 18.665 -20.865 3.186 0.00 0.00 WAT1 ATOM 6866 OH2 TIP3 1487 20.942 -19.268 4.407 0.00 0.00 WAT1 ATOM 6867 H1 TIP3 1487 20.256 -18.916 4.974 0.00 0.00 WAT1 ATOM 6868 H2 TIP3 1487 21.465 -18.505 4.161 0.00 0.00 WAT1 ATOM 6869 OH2 TIP3 1488 26.758 -25.226 6.618 0.00 0.00 WAT1 ATOM 6870 H1 TIP3 1488 27.570 -24.722 6.664 0.00 0.00 WAT1 ATOM 6871 H2 TIP3 1488 26.513 -25.371 7.532 0.00 0.00 WAT1 ATOM 6872 OH2 TIP3 1489 27.642 -28.145 7.556 0.00 0.00 WAT1 ATOM 6873 H1 TIP3 1489 27.295 -27.527 8.201 0.00 0.00 WAT1 ATOM 6874 H2 TIP3 1489 28.300 -27.644 7.075 0.00 0.00 WAT1 ATOM 6875 OH2 TIP3 1490 23.299 -27.082 4.244 0.00 0.00 WAT1 ATOM 6876 H1 TIP3 1490 23.216 -26.193 4.590 0.00 0.00 WAT1 ATOM 6877 H2 TIP3 1490 24.189 -27.347 4.475 0.00 0.00 WAT1 ATOM 6878 OH2 TIP3 1491 19.874 -23.990 2.420 0.00 0.00 WAT1 ATOM 6879 H1 TIP3 1491 19.829 -23.051 2.599 0.00 0.00 WAT1 ATOM 6880 H2 TIP3 1491 18.986 -24.226 2.150 0.00 0.00 WAT1 ATOM 6881 OH2 TIP3 1492 18.808 -18.845 19.538 0.00 0.00 WAT1 ATOM 6882 H1 TIP3 1492 18.952 -19.747 19.252 0.00 0.00 WAT1 ATOM 6883 H2 TIP3 1492 18.035 -18.559 19.050 0.00 0.00 WAT1 ATOM 6884 OH2 TIP3 1493 19.640 -21.645 18.958 0.00 0.00 WAT1 ATOM 6885 H1 TIP3 1493 20.048 -22.502 18.837 0.00 0.00 WAT1 ATOM 6886 H2 TIP3 1493 19.380 -21.630 19.879 0.00 0.00 WAT1 ATOM 6887 OH2 TIP3 1494 23.587 -22.636 16.332 0.00 0.00 WAT1 ATOM 6888 H1 TIP3 1494 22.969 -21.961 16.613 0.00 0.00 WAT1 ATOM 6889 H2 TIP3 1494 23.931 -22.315 15.499 0.00 0.00 WAT1 ATOM 6890 OH2 TIP3 1495 23.927 -25.281 17.415 0.00 0.00 WAT1 ATOM 6891 H1 TIP3 1495 24.077 -26.010 16.812 0.00 0.00 WAT1 ATOM 6892 H2 TIP3 1495 23.929 -24.504 16.856 0.00 0.00 WAT1 ATOM 6893 OH2 TIP3 1496 24.339 -26.911 14.907 0.00 0.00 WAT1 ATOM 6894 H1 TIP3 1496 24.875 -26.460 14.255 0.00 0.00 WAT1 ATOM 6895 H2 TIP3 1496 23.487 -27.019 14.485 0.00 0.00 WAT1 ATOM 6896 OH2 TIP3 1497 22.405 -24.083 19.326 0.00 0.00 WAT1 ATOM 6897 H1 TIP3 1497 21.638 -24.615 19.116 0.00 0.00 WAT1 ATOM 6898 H2 TIP3 1497 23.084 -24.393 18.727 0.00 0.00 WAT1 ATOM 6899 OH2 TIP3 1498 25.145 -29.455 15.339 0.00 0.00 WAT1 ATOM 6900 H1 TIP3 1498 25.047 -28.508 15.233 0.00 0.00 WAT1 ATOM 6901 H2 TIP3 1498 24.402 -29.827 14.863 0.00 0.00 WAT1 ATOM 6902 OH2 TIP3 1499 20.586 -26.162 19.031 0.00 0.00 WAT1 ATOM 6903 H1 TIP3 1499 20.797 -26.869 18.420 0.00 0.00 WAT1 ATOM 6904 H2 TIP3 1499 20.474 -26.600 19.875 0.00 0.00 WAT1 ATOM 6905 OH2 TIP3 1500 18.835 -16.959 2.723 0.00 0.00 WAT1 ATOM 6906 H1 TIP3 1500 19.749 -16.880 2.996 0.00 0.00 WAT1 ATOM 6907 H2 TIP3 1500 18.842 -17.646 2.056 0.00 0.00 WAT1 ATOM 6908 OH2 TIP3 1501 18.434 -20.410 12.056 0.00 0.00 WAT1 ATOM 6909 H1 TIP3 1501 18.618 -20.492 11.121 0.00 0.00 WAT1 ATOM 6910 H2 TIP3 1501 19.283 -20.534 12.480 0.00 0.00 WAT1 ATOM 6911 OH2 TIP3 1502 27.984 -27.959 10.565 0.00 0.00 WAT1 ATOM 6912 H1 TIP3 1502 27.309 -28.588 10.820 0.00 0.00 WAT1 ATOM 6913 H2 TIP3 1502 28.548 -28.443 9.962 0.00 0.00 WAT1 ATOM 6914 OH2 TIP3 1503 24.890 -29.398 8.200 0.00 0.00 WAT1 ATOM 6915 H1 TIP3 1503 25.764 -29.010 8.170 0.00 0.00 WAT1 ATOM 6916 H2 TIP3 1503 24.754 -29.613 9.123 0.00 0.00 WAT1 ATOM 6917 OH2 TIP3 1504 26.034 -27.318 5.090 0.00 0.00 WAT1 ATOM 6918 H1 TIP3 1504 26.212 -27.964 5.773 0.00 0.00 WAT1 ATOM 6919 H2 TIP3 1504 25.980 -26.484 5.557 0.00 0.00 WAT1 ATOM 6920 OH2 TIP3 1505 20.268 -28.811 17.904 0.00 0.00 WAT1 ATOM 6921 H1 TIP3 1505 19.902 -29.576 18.347 0.00 0.00 WAT1 ATOM 6922 H2 TIP3 1505 21.181 -28.782 18.191 0.00 0.00 WAT1 ATOM 6923 OH2 TIP3 1506 22.241 -29.460 19.440 0.00 0.00 WAT1 ATOM 6924 H1 TIP3 1506 23.140 -29.734 19.255 0.00 0.00 WAT1 ATOM 6925 H2 TIP3 1506 21.855 -30.203 19.904 0.00 0.00 WAT1 ATOM 6926 OH2 TIP3 1507 18.836 -25.711 23.167 0.00 0.00 WAT1 ATOM 6927 H1 TIP3 1507 19.310 -25.120 22.582 0.00 0.00 WAT1 ATOM 6928 H2 TIP3 1507 18.118 -25.180 23.514 0.00 0.00 WAT1 ATOM 6929 OH2 TIP3 1508 22.937 -23.421 22.074 0.00 0.00 WAT1 ATOM 6930 H1 TIP3 1508 22.395 -23.801 21.383 0.00 0.00 WAT1 ATOM 6931 H2 TIP3 1508 23.771 -23.227 21.645 0.00 0.00 WAT1 ATOM 6932 OH2 TIP3 1509 19.527 -21.181 21.771 0.00 0.00 WAT1 ATOM 6933 H1 TIP3 1509 20.143 -20.554 22.150 0.00 0.00 WAT1 ATOM 6934 H2 TIP3 1509 18.665 -20.865 22.042 0.00 0.00 WAT1 ATOM 6935 OH2 TIP3 1510 19.874 -23.990 21.276 0.00 0.00 WAT1 ATOM 6936 H1 TIP3 1510 19.829 -23.051 21.455 0.00 0.00 WAT1 ATOM 6937 H2 TIP3 1510 18.986 -24.226 21.006 0.00 0.00 WAT1 ATOM 6938 OH2 TIP3 1511 17.870 -27.570 25.068 0.00 0.00 WAT1 ATOM 6939 H1 TIP3 1511 16.945 -27.361 24.938 0.00 0.00 WAT1 ATOM 6940 H2 TIP3 1511 18.324 -27.086 24.378 0.00 0.00 WAT1 ATOM 6941 OH2 TIP3 1512 19.147 -29.527 23.046 0.00 0.00 WAT1 ATOM 6942 H1 TIP3 1512 19.586 -28.916 22.455 0.00 0.00 WAT1 ATOM 6943 H2 TIP3 1512 18.513 -28.989 23.520 0.00 0.00 WAT1 ATOM 6944 OH2 TIP3 1513 21.008 -27.611 21.489 0.00 0.00 WAT1 ATOM 6945 H1 TIP3 1513 21.499 -28.241 20.961 0.00 0.00 WAT1 ATOM 6946 H2 TIP3 1513 21.631 -27.315 22.152 0.00 0.00 WAT1 ATOM 6947 OH2 TIP3 1514 17.834 -9.976 -23.156 0.00 0.00 WAT1 ATOM 6948 H1 TIP3 1514 17.169 -10.222 -22.513 0.00 0.00 WAT1 ATOM 6949 H2 TIP3 1514 17.391 -9.354 -23.733 0.00 0.00 WAT1 END