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 12:09:03 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 22.371 -10.781 -4.657 1.00 25.31 ATOM 2 CB MET 1 23.942 -9.792 -3.593 1.00 53.11 ATOM 3 HB1 MET 1 23.622 -8.817 -3.932 1.00 38.39 ATOM 4 HB2 MET 1 24.703 -10.154 -4.273 1.00 64.40 ATOM 5 CG MET 1 24.530 -9.630 -2.201 1.00 45.31 ATOM 6 HG1 MET 1 23.775 -9.773 -1.448 1.00 38.39 ATOM 7 HG2 MET 1 24.918 -8.626 -2.117 1.00 32.41 ATOM 8 SD MET 1 25.882 -10.779 -1.880 1.00 60.23 ATOM 9 CE MET 1 26.670 -9.993 -0.477 1.00 15.21 ATOM 10 HE1 MET 1 27.001 -9.004 -0.758 1.00 52.21 ATOM 11 HE2 MET 1 27.519 -10.582 -0.165 1.00 41.50 ATOM 12 HE3 MET 1 25.964 -9.919 0.337 1.00 51.44 ATOM 13 C MET 1 23.149 -12.132 -3.203 1.00 73.43 ATOM 14 O MET 1 23.562 -12.952 -4.022 1.00 61.21 ATOM 15 N MET 1 21.661 -10.219 -2.798 1.00 11.00 ATOM 16 HT1 MET 1 21.340 -9.296 -3.159 1.00 38.39 ATOM 17 HT2 MET 1 21.949 -10.096 -1.811 1.00 38.39 ATOM 18 HT3 MET 1 20.846 -10.868 -2.823 1.00 38.39 ATOM 19 CA MET 1 22.735 -10.731 -3.641 1.00 51.01 ATOM 20 N GLY 2 23.035 -12.400 -1.906 1.00 32.31 ATOM 21 HN GLY 2 22.737 -11.714 -1.276 1.00 38.39 ATOM 22 CA GLY 2 23.401 -13.703 -1.382 1.00 65.25 ATOM 23 HA1 GLY 2 24.326 -13.604 -0.835 1.00 38.39 ATOM 24 HA2 GLY 2 23.551 -14.411 -2.188 1.00 60.43 ATOM 25 C GLY 2 22.351 -14.269 -0.447 1.00 4.31 ATOM 26 O GLY 2 22.678 -14.957 0.521 1.00 75.23 ATOM 27 N HIS 3 21.087 -13.977 -0.734 1.00 13.13 ATOM 28 HN HIS 3 20.875 -13.423 -1.521 1.00 38.39 ATOM 29 CA HIS 3 19.985 -14.461 0.091 1.00 53.45 ATOM 30 HA HIS 3 20.327 -15.309 0.676 1.00 54.10 ATOM 31 CB HIS 3 19.517 -13.364 1.048 1.00 23.45 ATOM 32 HB1 HIS 3 18.672 -13.725 1.621 1.00 38.39 ATOM 33 HB2 HIS 3 19.212 -12.501 0.474 1.00 41.12 ATOM 34 CG HIS 3 20.571 -12.927 2.019 1.00 63.25 ATOM 35 ND1 HIS 3 21.280 -13.808 2.808 1.00 72.42 ATOM 36 HD1 HIS 3 21.172 -14.782 2.818 1.00 10.13 ATOM 37 CD2 HIS 3 21.037 -11.693 2.323 1.00 21.42 ATOM 38 HD2 HIS 3 20.707 -10.759 1.891 1.00 71.33 ATOM 39 CE1 HIS 3 22.135 -13.135 3.557 1.00 35.43 ATOM 40 HE1 HIS 3 22.822 -13.563 4.272 1.00 52.31 ATOM 41 NE2 HIS 3 22.008 -11.850 3.282 1.00 14.20 ATOM 42 HE2 HIS 3 22.586 -11.138 3.629 1.00 38.39 ATOM 43 C HIS 3 18.819 -14.924 -0.778 1.00 64.32 ATOM 44 O HIS 3 18.572 -14.371 -1.850 1.00 52.30 ATOM 45 N HIS 4 18.107 -15.944 -0.309 1.00 40.03 ATOM 46 HN HIS 4 18.336 -16.314 0.570 1.00 38.39 ATOM 47 CA HIS 4 16.968 -16.482 -1.044 1.00 34.43 ATOM 48 HA HIS 4 17.099 -16.270 -2.100 1.00 14.34 ATOM 49 CB HIS 4 16.891 -17.999 -0.868 1.00 64.31 ATOM 50 HB1 HIS 4 17.767 -18.446 -1.315 1.00 38.39 ATOM 51 HB2 HIS 4 16.010 -18.379 -1.368 1.00 44.23 ATOM 52 CG HIS 4 16.837 -18.434 0.564 1.00 73.40 ATOM 53 ND1 HIS 4 17.964 -18.650 1.329 1.00 52.43 ATOM 54 HD1 HIS 4 18.890 -18.546 1.026 1.00 4.45 ATOM 55 CD2 HIS 4 15.781 -18.693 1.371 1.00 23.01 ATOM 56 HD2 HIS 4 14.736 -18.626 1.101 1.00 23.04 ATOM 57 CE1 HIS 4 17.604 -19.023 2.544 1.00 61.54 ATOM 58 HE1 HIS 4 18.275 -19.259 3.357 1.00 51.35 ATOM 59 NE2 HIS 4 16.285 -19.057 2.596 1.00 73.23 ATOM 60 HE2 HIS 4 15.758 -19.390 3.352 1.00 38.39 ATOM 61 C HIS 4 15.666 -15.838 -0.576 1.00 21.12 ATOM 62 O HIS 4 15.573 -15.350 0.551 1.00 60.11 ATOM 63 N HIS 5 14.663 -15.839 -1.449 1.00 25.54 ATOM 64 HN HIS 5 14.788 -16.252 -2.335 1.00 38.39 ATOM 65 CA HIS 5 13.367 -15.255 -1.125 1.00 1.14 ATOM 66 HA HIS 5 13.448 -14.696 -0.198 1.00 31.12 ATOM 67 CB HIS 5 12.921 -14.304 -2.235 1.00 50.43 ATOM 68 HB1 HIS 5 11.839 -14.239 -2.250 1.00 38.39 ATOM 69 HB2 HIS 5 13.260 -14.682 -3.190 1.00 52.23 ATOM 70 CG HIS 5 13.445 -12.910 -2.076 1.00 51.54 ATOM 71 ND1 HIS 5 13.130 -12.105 -1.002 1.00 21.25 ATOM 72 HD1 HIS 5 12.548 -12.352 -0.253 1.00 51.03 ATOM 73 CD2 HIS 5 14.268 -12.178 -2.863 1.00 64.22 ATOM 74 HD2 HIS 5 14.713 -12.496 -3.796 1.00 64.01 ATOM 75 CE1 HIS 5 13.736 -10.939 -1.135 1.00 13.20 ATOM 76 HE1 HIS 5 13.673 -10.112 -0.443 1.00 3.30 ATOM 77 NE2 HIS 5 14.433 -10.957 -2.256 1.00 64.44 ATOM 78 HE2 HIS 5 15.053 -10.256 -2.547 1.00 38.39 ATOM 79 C HIS 5 12.317 -16.342 -0.918 1.00 21.32 ATOM 80 O HIS 5 12.533 -17.503 -1.270 1.00 14.44 ATOM 81 N HIS 6 11.181 -15.960 -0.344 1.00 54.42 ATOM 82 HN HIS 6 11.057 -15.017 -0.086 1.00 38.39 ATOM 83 CA HIS 6 10.097 -16.902 -0.090 1.00 61.53 ATOM 84 HA HIS 6 10.444 -17.888 -0.335 1.00 51.12 ATOM 85 CB HIS 6 9.710 -16.880 1.389 1.00 74.44 ATOM 86 HB1 HIS 6 9.079 -17.731 1.599 1.00 38.39 ATOM 87 HB2 HIS 6 9.163 -15.971 1.606 1.00 3.20 ATOM 88 CG HIS 6 10.884 -16.938 2.316 1.00 11.14 ATOM 89 ND1 HIS 6 11.898 -17.864 2.191 1.00 75.30 ATOM 90 HD1 HIS 6 11.956 -18.560 1.505 1.00 60.30 ATOM 91 CD2 HIS 6 11.204 -16.175 3.388 1.00 33.30 ATOM 92 HD2 HIS 6 10.631 -15.346 3.779 1.00 72.42 ATOM 93 CE1 HIS 6 12.789 -17.670 3.146 1.00 21.33 ATOM 94 HE1 HIS 6 13.690 -18.246 3.296 1.00 32.22 ATOM 95 NE2 HIS 6 12.392 -16.651 3.886 1.00 12.22 ATOM 96 HE2 HIS 6 12.915 -16.237 4.604 1.00 38.39 ATOM 97 C HIS 6 8.881 -16.577 -0.952 1.00 33.01 ATOM 98 O HIS 6 8.455 -15.424 -1.032 1.00 74.55 ATOM 99 N HIS 7 8.326 -17.600 -1.595 1.00 44.22 ATOM 100 HN HIS 7 8.721 -18.498 -1.515 1.00 38.39 ATOM 101 CA HIS 7 7.159 -17.422 -2.451 1.00 71.23 ATOM 102 HA HIS 7 6.605 -16.553 -2.114 1.00 63.32 ATOM 103 CB HIS 7 7.592 -17.197 -3.900 1.00 42.51 ATOM 104 HB1 HIS 7 6.714 -17.083 -4.523 1.00 38.39 ATOM 105 HB2 HIS 7 8.158 -18.053 -4.239 1.00 21.03 ATOM 106 CG HIS 7 8.444 -15.979 -4.088 1.00 14.31 ATOM 107 ND1 HIS 7 9.724 -16.027 -4.597 1.00 3.03 ATOM 108 HD1 HIS 7 10.197 -16.837 -4.880 1.00 11.25 ATOM 109 CD2 HIS 7 8.190 -14.674 -3.833 1.00 45.32 ATOM 110 HD2 HIS 7 7.275 -14.266 -3.426 1.00 3.21 ATOM 111 CE1 HIS 7 10.223 -14.805 -4.645 1.00 53.52 ATOM 112 HE1 HIS 7 11.208 -14.538 -4.999 1.00 10.50 ATOM 113 NE2 HIS 7 9.312 -13.965 -4.188 1.00 13.41 ATOM 114 HE2 HIS 7 9.455 -13.009 -4.029 1.00 38.39 ATOM 115 C HIS 7 6.234 -18.633 -2.367 1.00 43.11 ATOM 116 O HIS 7 6.656 -19.724 -1.982 1.00 45.21 ATOM 117 N HIS 8 4.971 -18.433 -2.729 1.00 31.00 ATOM 118 HN HIS 8 4.693 -17.535 -3.031 1.00 38.39 ATOM 119 CA HIS 8 3.986 -19.509 -2.694 1.00 43.31 ATOM 120 HA HIS 8 3.949 -19.899 -1.684 1.00 1.34 ATOM 121 CB HIS 8 2.606 -18.978 -3.081 1.00 52.41 ATOM 122 HB1 HIS 8 1.985 -19.794 -3.434 1.00 38.39 ATOM 123 HB2 HIS 8 2.712 -18.251 -3.873 1.00 51.33 ATOM 124 CG HIS 8 1.879 -18.318 -1.950 1.00 32.43 ATOM 125 ND1 HIS 8 0.665 -18.767 -1.472 1.00 5.41 ATOM 126 HD1 HIS 8 0.166 -19.539 -1.811 1.00 1.40 ATOM 127 CD2 HIS 8 2.201 -17.239 -1.199 1.00 65.03 ATOM 128 HD2 HIS 8 3.092 -16.634 -1.296 1.00 34.11 ATOM 129 CE1 HIS 8 0.272 -17.990 -0.478 1.00 24.42 ATOM 130 HE1 HIS 8 -0.642 -18.101 0.087 1.00 42.23 ATOM 131 NE2 HIS 8 1.187 -17.056 -0.292 1.00 41.10 ATOM 132 HE2 HIS 8 1.190 -16.407 0.442 1.00 38.39 ATOM 133 C HIS 8 4.389 -20.644 -3.631 1.00 14.05 ATOM 134 O HIS 8 4.191 -21.818 -3.319 1.00 34.30 ATOM 135 N SER 9 4.954 -20.285 -4.779 1.00 75.40 ATOM 136 HN SER 9 5.082 -19.335 -4.993 1.00 38.39 ATOM 137 CA SER 9 5.379 -21.274 -5.763 1.00 3.21 ATOM 138 HA SER 9 5.748 -20.744 -6.628 1.00 52.10 ATOM 139 CB SER 9 6.505 -22.140 -5.193 1.00 53.42 ATOM 140 HB1 SER 9 7.076 -22.561 -6.007 1.00 38.39 ATOM 141 HB2 SER 9 6.092 -22.942 -4.592 1.00 70.31 ATOM 142 OG SER 9 7.375 -21.373 -4.379 1.00 64.32 ATOM 143 HG SER 9 7.054 -21.369 -3.473 1.00 21.21 ATOM 144 C SER 9 4.209 -22.156 -6.188 1.00 44.23 ATOM 145 O SER 9 4.384 -23.337 -6.488 1.00 65.25 ATOM 146 N HIS 10 3.015 -21.573 -6.212 1.00 11.14 ATOM 147 HN HIS 10 2.933 -20.615 -5.994 1.00 38.39 ATOM 148 CA HIS 10 1.815 -22.305 -6.601 1.00 14.34 ATOM 149 HA HIS 10 1.816 -23.257 -6.081 1.00 73.32 ATOM 150 CB HIS 10 0.563 -21.532 -6.183 1.00 30.55 ATOM 151 HB1 HIS 10 0.623 -20.526 -6.573 1.00 38.39 ATOM 152 HB2 HIS 10 0.517 -21.492 -5.105 1.00 64.22 ATOM 153 CG HIS 10 -0.712 -22.146 -6.675 1.00 4.03 ATOM 154 ND1 HIS 10 -1.666 -21.439 -7.375 1.00 12.45 ATOM 155 HD1 HIS 10 -1.613 -20.491 -7.616 1.00 30.43 ATOM 156 CD2 HIS 10 -1.186 -23.409 -6.566 1.00 61.10 ATOM 157 HD2 HIS 10 -0.695 -24.238 -6.075 1.00 50.45 ATOM 158 CE1 HIS 10 -2.673 -22.240 -7.674 1.00 13.44 ATOM 159 HE1 HIS 10 -3.563 -21.960 -8.219 1.00 73.54 ATOM 160 NE2 HIS 10 -2.406 -23.441 -7.195 1.00 34.24 ATOM 161 HE2 HIS 10 -3.025 -24.201 -7.198 1.00 38.39 ATOM 162 C HIS 10 1.794 -22.554 -8.106 1.00 0.33 ATOM 163 O HIS 10 1.502 -21.651 -8.890 1.00 24.13 ATOM 164 N MET 11 2.106 -23.783 -8.501 1.00 63.45 ATOM 165 HN MET 11 2.309 -24.466 -7.831 1.00 38.39 ATOM 166 CA MET 11 2.123 -24.150 -9.913 1.00 30.42 ATOM 167 HA MET 11 1.382 -23.544 -10.423 1.00 11.25 ATOM 168 CB MET 11 3.504 -23.884 -10.515 1.00 11.32 ATOM 169 HB1 MET 11 3.694 -24.595 -11.304 1.00 38.39 ATOM 170 HB2 MET 11 4.251 -24.021 -9.742 1.00 75.43 ATOM 171 CG MET 11 3.657 -22.485 -11.089 1.00 55.34 ATOM 172 HG1 MET 11 3.371 -21.764 -10.341 1.00 38.39 ATOM 173 HG2 MET 11 3.009 -22.388 -11.946 1.00 71.24 ATOM 174 SD MET 11 5.347 -22.125 -11.602 1.00 63.02 ATOM 175 CE MET 11 5.727 -23.587 -12.565 1.00 5.04 ATOM 176 HE1 MET 11 6.653 -23.434 -13.100 1.00 12.54 ATOM 177 HE2 MET 11 4.930 -23.771 -13.270 1.00 52.52 ATOM 178 HE3 MET 11 5.829 -24.437 -11.906 1.00 60.34 ATOM 179 C MET 11 1.750 -25.618 -10.097 1.00 52.13 ATOM 180 O MET 11 1.826 -26.424 -9.170 1.00 23.01 ATOM 181 N PRO 12 1.336 -25.975 -11.322 1.00 54.32 ATOM 182 CA PRO 12 0.943 -27.347 -11.656 1.00 54.25 ATOM 183 HA PRO 12 0.191 -27.721 -10.976 1.00 54.31 ATOM 184 CB PRO 12 0.345 -27.213 -13.059 1.00 53.32 ATOM 185 HB1 PRO 12 -0.722 -27.075 -12.975 1.00 38.39 ATOM 186 HB2 PRO 12 0.543 -28.093 -13.658 1.00 53.30 ATOM 187 CG PRO 12 0.991 -25.999 -13.632 1.00 65.13 ATOM 188 HG1 PRO 12 0.335 -25.542 -14.358 1.00 38.39 ATOM 189 HG2 PRO 12 1.932 -26.266 -14.091 1.00 53.33 ATOM 190 CD PRO 12 1.220 -25.066 -12.475 1.00 72.23 ATOM 191 HD1 PRO 12 0.378 -24.399 -12.358 1.00 38.39 ATOM 192 HD2 PRO 12 2.120 -24.506 -12.639 1.00 65.03 ATOM 193 C PRO 12 2.131 -28.302 -11.673 1.00 33.51 ATOM 194 O PRO 12 2.676 -28.612 -12.732 1.00 51.15 ATOM 195 N ASP 13 2.527 -28.767 -10.493 1.00 54.00 ATOM 196 HN ASP 13 2.051 -28.478 -9.677 1.00 38.39 ATOM 197 CA ASP 13 3.650 -29.689 -10.372 1.00 73.31 ATOM 198 HA ASP 13 4.545 -29.151 -10.655 1.00 1.54 ATOM 199 CB ASP 13 3.799 -30.158 -8.924 1.00 35.21 ATOM 200 HB1 ASP 13 3.777 -29.299 -8.269 1.00 38.39 ATOM 201 HB2 ASP 13 4.745 -30.666 -8.813 1.00 52.41 ATOM 202 CG ASP 13 2.694 -31.109 -8.507 1.00 31.21 ATOM 203 OD1 ASP 13 2.812 -32.319 -8.795 1.00 13.20 ATOM 204 OD2 ASP 13 1.712 -30.644 -7.892 1.00 0.13 ATOM 205 C ASP 13 3.467 -30.892 -11.293 1.00 11.30 ATOM 206 O ASP 13 2.428 -31.553 -11.270 1.00 1.53 ATOM 207 N HIS 14 4.483 -31.169 -12.104 1.00 71.40 ATOM 208 HN HIS 14 5.298 -30.613 -12.069 1.00 38.39 ATOM 209 CA HIS 14 4.434 -32.292 -13.034 1.00 21.34 ATOM 210 HA HIS 14 3.440 -32.377 -13.420 1.00 23.23 ATOM 211 CB HIS 14 5.395 -32.059 -14.200 1.00 11.53 ATOM 212 HB1 HIS 14 5.537 -32.984 -14.747 1.00 38.39 ATOM 213 HB2 HIS 14 6.348 -31.729 -13.813 1.00 12.31 ATOM 214 CG HIS 14 4.915 -31.027 -15.174 1.00 31.02 ATOM 215 ND1 HIS 14 5.137 -29.676 -15.010 1.00 21.01 ATOM 216 HD1 HIS 14 5.616 -29.261 -14.263 1.00 75.44 ATOM 217 CD2 HIS 14 4.222 -31.155 -16.329 1.00 70.35 ATOM 218 HD2 HIS 14 3.877 -32.080 -16.770 1.00 62.53 ATOM 219 CE1 HIS 14 4.600 -29.018 -16.022 1.00 1.24 ATOM 220 HE1 HIS 14 4.618 -27.947 -16.160 1.00 21.23 ATOM 221 NE2 HIS 14 4.039 -29.893 -16.837 1.00 11.51 ATOM 222 HE2 HIS 14 3.489 -29.667 -17.616 1.00 38.39 ATOM 223 C HIS 14 4.782 -33.599 -12.326 1.00 41.34 ATOM 224 O HIS 14 5.816 -34.208 -12.599 1.00 54.42 ATOM 225 N GLY 15 3.912 -34.023 -11.415 1.00 74.12 ATOM 226 HN GLY 15 3.088 -33.518 -11.244 1.00 38.39 ATOM 227 CA GLY 15 4.145 -35.254 -10.682 1.00 45.35 ATOM 228 HA1 GLY 15 3.646 -35.181 -9.726 1.00 38.39 ATOM 229 HA2 GLY 15 5.208 -35.378 -10.503 1.00 72.41 ATOM 230 C GLY 15 3.630 -36.474 -11.419 1.00 71.11 ATOM 231 O GLY 15 4.218 -36.903 -12.412 1.00 3.12 ATOM 232 N ASP 16 2.529 -37.036 -10.932 1.00 0.31 ATOM 233 HN ASP 16 2.077 -36.620 -10.164 1.00 38.39 ATOM 234 CA ASP 16 1.934 -38.215 -11.550 1.00 43.03 ATOM 235 HA ASP 16 2.596 -38.590 -12.322 1.00 40.45 ATOM 236 CB ASP 16 1.741 -39.320 -10.510 1.00 53.34 ATOM 237 HB1 ASP 16 2.695 -39.796 -10.334 1.00 38.39 ATOM 238 HB2 ASP 16 1.044 -40.065 -10.872 1.00 4.24 ATOM 239 CG ASP 16 1.236 -38.785 -9.185 1.00 3.24 ATOM 240 OD1 ASP 16 0.013 -38.851 -8.945 1.00 74.34 ATOM 241 OD2 ASP 16 2.065 -38.299 -8.386 1.00 41.24 ATOM 242 C ASP 16 0.598 -37.872 -12.201 1.00 11.21 ATOM 243 O ASP 16 -0.436 -38.447 -11.859 1.00 45.22 ATOM 244 N TRP 17 0.627 -36.931 -13.138 1.00 75.42 ATOM 245 HN TRP 17 1.488 -36.504 -13.366 1.00 38.39 ATOM 246 CA TRP 17 -0.583 -36.511 -13.836 1.00 14.22 ATOM 247 HA TRP 17 -1.247 -36.059 -13.110 1.00 23.35 ATOM 248 CB TRP 17 -0.242 -35.486 -14.918 1.00 53.53 ATOM 249 HB1 TRP 17 -1.046 -35.442 -15.644 1.00 38.39 ATOM 250 HB2 TRP 17 0.667 -35.786 -15.422 1.00 45.14 ATOM 251 CG TRP 17 -0.048 -34.099 -14.383 1.00 71.02 ATOM 252 CD1 TRP 17 1.141 -33.471 -14.147 1.00 3.20 ATOM 253 HD1 TRP 17 2.110 -33.915 -14.324 1.00 11.14 ATOM 254 CD2 TRP 17 -1.074 -33.171 -14.016 1.00 54.42 ATOM 255 NE1 TRP 17 0.916 -32.208 -13.655 1.00 42.31 ATOM 256 HE1 TRP 17 1.604 -31.559 -13.409 1.00 11.15 ATOM 257 CE2 TRP 17 -0.435 -31.999 -13.566 1.00 43.14 ATOM 258 CE3 TRP 17 -2.471 -33.214 -14.026 1.00 31.03 ATOM 259 HE3 TRP 17 -3.000 -34.093 -14.363 1.00 32.21 ATOM 260 CZ2 TRP 17 -1.145 -30.884 -13.130 1.00 53.00 ATOM 261 HZ2 TRP 17 -0.648 -29.988 -12.787 1.00 22.01 ATOM 262 CZ3 TRP 17 -3.175 -32.107 -13.592 1.00 41.30 ATOM 263 HZ3 TRP 17 -4.255 -32.123 -13.592 1.00 21.13 ATOM 264 CH2 TRP 17 -2.512 -30.954 -13.150 1.00 22.21 ATOM 265 HH2 TRP 17 -3.103 -30.113 -12.819 1.00 22.21 ATOM 266 C TRP 17 -1.297 -37.706 -14.457 1.00 62.43 ATOM 267 O TRP 17 -2.366 -38.112 -13.999 1.00 41.35 ATOM 268 N THR 18 -0.699 -38.269 -15.503 1.00 53.34 ATOM 269 HN THR 18 0.139 -37.883 -15.836 1.00 38.39 ATOM 270 CA THR 18 -1.278 -39.417 -16.188 1.00 75.51 ATOM 271 HA THR 18 -2.187 -39.091 -16.675 1.00 31.34 ATOM 272 CB THR 18 -0.326 -39.968 -17.266 1.00 41.23 ATOM 273 HB THR 18 -0.319 -39.283 -18.102 1.00 54.01 ATOM 274 OG1 THR 18 -0.781 -41.250 -17.714 1.00 3.23 ATOM 275 HG1 THR 18 -1.487 -41.136 -18.355 1.00 15.33 ATOM 276 CG2 THR 18 1.091 -40.087 -16.726 1.00 43.15 ATOM 277 HG21 THR 18 1.544 -39.110 -16.671 1.00 24.51 ATOM 278 HG22 THR 18 1.671 -40.708 -17.392 1.00 14.21 ATOM 279 HG23 THR 18 1.082 -40.537 -15.742 1.00 74.45 ATOM 280 C THR 18 -1.613 -40.533 -15.204 1.00 43.13 ATOM 281 O THR 18 -1.046 -40.602 -14.114 1.00 25.44 ATOM 282 N TYR 19 -2.536 -41.404 -15.596 1.00 43.02 ATOM 283 HN TYR 19 -2.948 -41.302 -16.488 1.00 38.39 ATOM 284 CA TYR 19 -2.947 -42.516 -14.747 1.00 44.03 ATOM 285 HA TYR 19 -3.138 -42.131 -13.750 1.00 62.50 ATOM 286 CB TYR 19 -4.235 -43.144 -15.282 1.00 23.30 ATOM 287 HB1 TYR 19 -4.476 -44.023 -14.693 1.00 38.39 ATOM 288 HB2 TYR 19 -4.075 -43.448 -16.308 1.00 21.42 ATOM 289 CG TYR 19 -5.426 -42.214 -15.237 1.00 30.31 ATOM 290 CD1 TYR 19 -5.834 -41.520 -16.370 1.00 25.52 ATOM 291 HD1 TYR 19 -5.289 -41.650 -17.295 1.00 2.23 ATOM 292 CD2 TYR 19 -6.143 -42.029 -14.062 1.00 15.42 ATOM 293 HD2 TYR 19 -5.842 -42.559 -13.169 1.00 11.41 ATOM 294 CE1 TYR 19 -6.921 -40.669 -16.333 1.00 60.24 ATOM 295 HE1 TYR 19 -7.222 -40.139 -17.225 1.00 42.54 ATOM 296 CE2 TYR 19 -7.233 -41.181 -14.017 1.00 0.55 ATOM 297 HE2 TYR 19 -7.778 -41.052 -13.094 1.00 53.25 ATOM 298 CZ TYR 19 -7.618 -40.503 -15.155 1.00 3.03 ATOM 299 OH TYR 19 -8.702 -39.656 -15.113 1.00 64.23 ATOM 300 HH TYR 19 -9.447 -40.055 -15.573 1.00 1.25 ATOM 301 C TYR 19 -1.849 -43.572 -14.664 1.00 21.22 ATOM 302 O TYR 19 -1.836 -44.531 -15.435 1.00 44.22 ATOM 303 N GLU 20 -0.930 -43.388 -13.721 1.00 31.22 ATOM 304 HN GLU 20 -0.998 -42.594 -13.144 1.00 38.39 ATOM 305 CA GLU 20 0.172 -44.325 -13.536 1.00 1.21 ATOM 306 HA GLU 20 0.536 -44.625 -14.511 1.00 34.12 ATOM 307 CB GLU 20 1.318 -43.655 -12.775 1.00 41.53 ATOM 308 HB1 GLU 20 1.641 -42.793 -13.341 1.00 38.39 ATOM 309 HB2 GLU 20 2.149 -44.347 -12.702 1.00 55.31 ATOM 310 CG GLU 20 0.931 -43.181 -11.385 1.00 14.35 ATOM 311 HG1 GLU 20 -0.120 -42.937 -11.348 1.00 38.39 ATOM 312 HG2 GLU 20 1.504 -42.294 -11.159 1.00 34.53 ATOM 313 CD GLU 20 1.223 -44.214 -10.314 1.00 13.12 ATOM 314 OE1 GLU 20 2.414 -44.512 -10.086 1.00 35.35 ATOM 315 OE2 GLU 20 0.260 -44.724 -9.704 1.00 15.12 ATOM 316 C GLU 20 -0.292 -45.570 -12.785 1.00 41.40 ATOM 317 O GLU 20 -1.402 -45.609 -12.255 1.00 62.13 ATOM 318 N GLU 21 0.567 -46.584 -12.745 1.00 54.10 ATOM 319 HN GLU 21 1.445 -46.497 -13.185 1.00 38.39 ATOM 320 CA GLU 21 0.244 -47.830 -12.061 1.00 30.34 ATOM 321 HA GLU 21 -0.805 -47.822 -11.795 1.00 12.23 ATOM 322 CB GLU 21 0.508 -49.025 -12.979 1.00 23.53 ATOM 323 HB1 GLU 21 1.571 -49.101 -13.168 1.00 38.39 ATOM 324 HB2 GLU 21 0.001 -48.858 -13.919 1.00 22.41 ATOM 325 CG GLU 21 0.029 -50.349 -12.408 1.00 23.54 ATOM 326 HG1 GLU 21 0.534 -50.534 -11.472 1.00 38.39 ATOM 327 HG2 GLU 21 0.277 -51.134 -13.107 1.00 61.31 ATOM 328 CD GLU 21 -1.468 -50.375 -12.171 1.00 32.12 ATOM 329 OE1 GLU 21 -1.887 -50.796 -11.072 1.00 14.50 ATOM 330 OE2 GLU 21 -2.221 -49.975 -13.084 1.00 23.44 ATOM 331 C GLU 21 1.056 -47.972 -10.777 1.00 3.05 ATOM 332 O GLU 21 0.519 -48.323 -9.726 1.00 41.34 ATOM 333 N GLN 22 2.353 -47.697 -10.870 1.00 63.15 ATOM 334 HN GLN 22 2.739 -47.446 -11.741 1.00 38.39 ATOM 335 CA GLN 22 3.240 -47.795 -9.717 1.00 71.11 ATOM 336 HA GLN 22 2.648 -47.678 -8.814 1.00 43.11 ATOM 337 CB GLN 22 3.924 -49.163 -9.688 1.00 35.24 ATOM 338 HB1 GLN 22 4.675 -49.213 -10.466 1.00 38.39 ATOM 339 HB2 GLN 22 3.174 -49.918 -9.891 1.00 62.30 ATOM 340 CG GLN 22 4.558 -49.498 -8.347 1.00 53.41 ATOM 341 HG1 GLN 22 4.558 -50.572 -8.230 1.00 38.39 ATOM 342 HG2 GLN 22 3.972 -49.057 -7.550 1.00 22.02 ATOM 343 CD GLN 22 5.988 -49.008 -8.240 1.00 4.21 ATOM 344 OE1 GLN 22 6.725 -48.985 -9.227 1.00 33.44 ATOM 345 NE2 GLN 22 6.390 -48.612 -7.038 1.00 2.51 ATOM 346 HE21 GLN 22 5.757 -48.648 -6.286 1.00 62.43 ATOM 347 HE22 GLN 22 7.317 -48.310 -6.944 1.00 21.03 ATOM 348 C GLN 22 4.290 -46.689 -9.742 1.00 71.30 ATOM 349 O GLN 22 4.666 -46.200 -10.807 1.00 55.44 ATOM 350 N PHE 23 4.760 -46.300 -8.562 1.00 12.44 ATOM 351 HN PHE 23 4.433 -46.735 -7.739 1.00 38.39 ATOM 352 CA PHE 23 5.766 -45.250 -8.448 1.00 31.21 ATOM 353 HA PHE 23 5.866 -44.765 -9.412 1.00 3.31 ATOM 354 CB PHE 23 5.339 -44.216 -7.405 1.00 14.52 ATOM 355 HB1 PHE 23 5.777 -44.441 -6.440 1.00 38.39 ATOM 356 HB2 PHE 23 4.261 -44.250 -7.305 1.00 53.42 ATOM 357 CG PHE 23 5.694 -42.805 -7.779 1.00 52.11 ATOM 358 CD1 PHE 23 5.265 -42.264 -8.980 1.00 54.04 ATOM 359 HD1 PHE 23 4.668 -42.864 -9.654 1.00 21.45 ATOM 360 CD2 PHE 23 6.456 -42.020 -6.930 1.00 4.24 ATOM 361 HD2 PHE 23 6.799 -42.428 -5.989 1.00 14.23 ATOM 362 CE1 PHE 23 5.591 -40.967 -9.327 1.00 51.45 ATOM 363 HE1 PHE 23 5.251 -40.557 -10.267 1.00 72.33 ATOM 364 CE2 PHE 23 6.785 -40.721 -7.271 1.00 64.51 ATOM 365 HE2 PHE 23 7.381 -40.133 -6.623 1.00 70.42 ATOM 366 CZ PHE 23 6.351 -40.194 -8.471 1.00 41.03 ATOM 367 HZ PHE 23 6.607 -39.180 -8.741 1.00 75.24 ATOM 368 C PHE 23 7.124 -45.837 -8.072 1.00 54.34 ATOM 369 O PHE 23 7.423 -46.036 -6.895 1.00 33.31 ATOM 370 N LYS 24 7.942 -46.111 -9.082 1.00 63.52 ATOM 371 HN LYS 24 7.649 -45.921 -10.006 1.00 38.39 ATOM 372 CA LYS 24 9.269 -46.675 -8.861 1.00 11.52 ATOM 373 HA LYS 24 9.168 -47.510 -8.176 1.00 32.42 ATOM 374 CB LYS 24 9.859 -47.177 -10.180 1.00 41.34 ATOM 375 HB1 LYS 24 10.326 -46.351 -10.703 1.00 38.39 ATOM 376 HB2 LYS 24 9.056 -47.557 -10.802 1.00 44.41 ATOM 377 CG LYS 24 10.899 -48.270 -10.005 1.00 10.22 ATOM 378 HG1 LYS 24 11.451 -48.107 -9.087 1.00 38.39 ATOM 379 HG2 LYS 24 11.581 -48.224 -10.843 1.00 23.04 ATOM 380 CD LYS 24 10.259 -49.647 -9.962 1.00 74.13 ATOM 381 HD1 LYS 24 9.559 -49.745 -10.783 1.00 38.39 ATOM 382 HD2 LYS 24 9.733 -49.758 -9.026 1.00 52.21 ATOM 383 CE LYS 24 11.300 -50.750 -10.072 1.00 4.21 ATOM 384 HE1 LYS 24 10.885 -51.653 -9.649 1.00 38.39 ATOM 385 HE2 LYS 24 12.187 -50.474 -9.515 1.00 50.12 ATOM 386 NZ LYS 24 11.678 -51.018 -11.487 1.00 54.23 ATOM 387 HZ1 LYS 24 10.844 -51.316 -12.035 1.00 22.43 ATOM 388 HZ2 LYS 24 12.389 -51.776 -11.527 1.00 70.31 ATOM 389 HZ3 LYS 24 12.080 -50.162 -11.923 1.00 1.44 ATOM 390 C LYS 24 10.201 -45.642 -8.235 1.00 51.43 ATOM 391 O LYS 24 11.207 -45.993 -7.620 1.00 31.21 ATOM 392 N GLN 25 9.858 -44.368 -8.396 1.00 42.43 ATOM 393 HN GLN 25 9.064 -44.137 -8.928 1.00 38.39 ATOM 394 CA GLN 25 10.665 -43.285 -7.846 1.00 52.31 ATOM 395 HA GLN 25 11.606 -43.291 -8.372 1.00 44.31 ATOM 396 CB GLN 25 9.959 -41.943 -8.045 1.00 55.52 ATOM 397 HB1 GLN 25 9.340 -41.724 -7.185 1.00 38.39 ATOM 398 HB2 GLN 25 9.322 -42.002 -8.918 1.00 75.01 ATOM 399 CG GLN 25 10.913 -40.777 -8.248 1.00 1.12 ATOM 400 HG1 GLN 25 11.547 -40.691 -7.376 1.00 38.39 ATOM 401 HG2 GLN 25 10.331 -39.873 -8.356 1.00 34.41 ATOM 402 CD GLN 25 11.780 -40.940 -9.481 1.00 12.01 ATOM 403 OE1 GLN 25 11.328 -40.719 -10.605 1.00 4.51 ATOM 404 NE2 GLN 25 13.033 -41.329 -9.277 1.00 31.02 ATOM 405 HE21 GLN 25 13.342 -41.492 -8.357 1.00 21.23 ATOM 406 HE22 GLN 25 13.609 -41.439 -10.062 1.00 31.22 ATOM 407 C GLN 25 10.942 -43.512 -6.364 1.00 5.42 ATOM 408 O GLN 25 12.094 -43.494 -5.927 1.00 62.32 ATOM 409 N LEU 26 9.881 -43.724 -5.594 1.00 31.00 ATOM 410 HN LEU 26 8.982 -43.722 -6.003 1.00 38.39 ATOM 411 CA LEU 26 10.010 -43.954 -4.159 1.00 71.32 ATOM 412 HA LEU 26 10.403 -43.059 -3.730 1.00 62.01 ATOM 413 CB LEU 26 8.642 -44.258 -3.546 1.00 73.04 ATOM 414 HB1 LEU 26 8.773 -44.956 -2.731 1.00 38.39 ATOM 415 HB2 LEU 26 8.031 -44.740 -4.299 1.00 24.04 ATOM 416 CG LEU 26 7.869 -43.057 -3.000 1.00 42.44 ATOM 417 HG LEU 26 7.707 -42.349 -3.799 1.00 44.54 ATOM 418 CD1 LEU 26 6.510 -43.490 -2.475 1.00 33.32 ATOM 419 HD11 LEU 26 6.631 -44.045 -1.554 1.00 21.14 ATOM 420 HD12 LEU 26 6.022 -44.121 -3.202 1.00 64.31 ATOM 421 HD13 LEU 26 5.902 -42.617 -2.290 1.00 51.12 ATOM 422 CD2 LEU 26 8.668 -42.361 -1.908 1.00 41.52 ATOM 423 HD21 LEU 26 8.017 -41.722 -1.326 1.00 52.00 ATOM 424 HD22 LEU 26 9.421 -41.751 -2.369 1.00 52.40 ATOM 425 HD23 LEU 26 9.135 -43.089 -1.255 1.00 72.13 ATOM 426 C LEU 26 10.973 -45.103 -3.877 1.00 33.24 ATOM 427 O LEU 26 11.627 -45.136 -2.834 1.00 44.23 ATOM 428 N TYR 27 11.055 -46.043 -4.812 1.00 42.41 ATOM 429 HN TYR 27 10.493 -45.991 -5.609 1.00 38.39 ATOM 430 CA TYR 27 11.938 -47.193 -4.664 1.00 20.53 ATOM 431 HA TYR 27 11.956 -47.475 -3.622 1.00 1.43 ATOM 432 CB TYR 27 11.415 -48.373 -5.484 1.00 74.44 ATOM 433 HB1 TYR 27 12.194 -49.124 -5.572 1.00 38.39 ATOM 434 HB2 TYR 27 11.151 -48.032 -6.470 1.00 73.32 ATOM 435 CG TYR 27 10.192 -49.032 -4.887 1.00 14.43 ATOM 436 CD1 TYR 27 10.224 -50.358 -4.473 1.00 51.43 ATOM 437 HD1 TYR 27 11.134 -50.919 -4.594 1.00 21.44 ATOM 438 CD2 TYR 27 9.004 -48.327 -4.734 1.00 52.34 ATOM 439 HD2 TYR 27 8.947 -47.301 -5.051 1.00 20.21 ATOM 440 CE1 TYR 27 9.109 -50.963 -3.927 1.00 53.05 ATOM 441 HE1 TYR 27 9.147 -51.993 -3.614 1.00 24.14 ATOM 442 CE2 TYR 27 7.884 -48.924 -4.188 1.00 40.42 ATOM 443 HE2 TYR 27 6.970 -48.359 -4.079 1.00 35.50 ATOM 444 CZ TYR 27 7.941 -50.242 -3.787 1.00 3.13 ATOM 445 OH TYR 27 6.829 -50.841 -3.242 1.00 54.01 ATOM 446 HH TYR 27 6.179 -51.012 -3.931 1.00 23.44 ATOM 447 C TYR 27 13.360 -46.849 -5.097 1.00 33.00 ATOM 448 O TYR 27 14.329 -47.389 -4.566 1.00 65.10 ATOM 449 N GLU 28 13.474 -45.945 -6.065 1.00 73.22 ATOM 450 HN GLU 28 12.671 -45.558 -6.472 1.00 38.39 ATOM 451 CA GLU 28 14.776 -45.528 -6.570 1.00 65.24 ATOM 452 HA GLU 28 15.509 -46.293 -6.338 1.00 62.05 ATOM 453 CB GLU 28 14.727 -45.355 -8.090 1.00 24.31 ATOM 454 HB1 GLU 28 15.677 -44.959 -8.432 1.00 38.39 ATOM 455 HB2 GLU 28 13.945 -44.652 -8.336 1.00 44.31 ATOM 456 CG GLU 28 14.458 -46.648 -8.841 1.00 61.23 ATOM 457 HG1 GLU 28 13.466 -46.994 -8.591 1.00 38.39 ATOM 458 HG2 GLU 28 15.184 -47.388 -8.535 1.00 33.32 ATOM 459 CD GLU 28 14.548 -46.479 -10.345 1.00 45.44 ATOM 460 OE1 GLU 28 14.108 -45.425 -10.850 1.00 41.54 ATOM 461 OE2 GLU 28 15.059 -47.399 -11.017 1.00 52.03 ATOM 462 C GLU 28 15.223 -44.225 -5.913 1.00 62.44 ATOM 463 O GLU 28 15.913 -43.411 -6.529 1.00 15.21 ATOM 464 N LEU 29 14.826 -44.035 -4.660 1.00 75.03 ATOM 465 HN LEU 29 14.310 -44.721 -4.198 1.00 38.39 ATOM 466 CA LEU 29 15.184 -42.831 -3.918 1.00 72.24 ATOM 467 HA LEU 29 15.047 -41.976 -4.568 1.00 2.22 ATOM 468 CB LEU 29 14.282 -42.676 -2.693 1.00 32.44 ATOM 469 HB1 LEU 29 14.718 -41.940 -2.025 1.00 38.39 ATOM 470 HB2 LEU 29 14.269 -43.624 -2.187 1.00 12.14 ATOM 471 CG LEU 29 12.835 -42.266 -2.971 1.00 44.01 ATOM 472 HG LEU 29 12.423 -42.955 -3.660 1.00 45.53 ATOM 473 CD1 LEU 29 12.015 -42.300 -1.691 1.00 71.52 ATOM 474 HD11 LEU 29 11.263 -41.533 -1.712 1.00 40.21 ATOM 475 HD12 LEU 29 12.652 -42.133 -0.831 1.00 73.40 ATOM 476 HD13 LEU 29 11.536 -43.255 -1.590 1.00 1.43 ATOM 477 CD2 LEU 29 12.786 -40.882 -3.602 1.00 13.14 ATOM 478 HD21 LEU 29 13.067 -40.967 -4.641 1.00 44.24 ATOM 479 HD22 LEU 29 13.476 -40.219 -3.116 1.00 51.35 ATOM 480 HD23 LEU 29 11.785 -40.478 -3.547 1.00 14.12 ATOM 481 C LEU 29 16.646 -42.873 -3.486 1.00 51.10 ATOM 482 O LEU 29 17.404 -41.935 -3.733 1.00 52.33 ATOM 483 N ASP 30 17.036 -43.967 -2.841 1.00 73.03 ATOM 484 HN ASP 30 16.386 -44.677 -2.659 1.00 38.39 ATOM 485 CA ASP 30 18.408 -44.133 -2.377 1.00 62.04 ATOM 486 HA ASP 30 18.980 -43.244 -2.615 1.00 41.33 ATOM 487 CB ASP 30 18.436 -44.329 -0.861 1.00 3.43 ATOM 488 HB1 ASP 30 19.464 -44.404 -0.534 1.00 38.39 ATOM 489 HB2 ASP 30 17.921 -45.237 -0.604 1.00 64.43 ATOM 490 CG ASP 30 17.790 -43.177 -0.116 1.00 52.14 ATOM 491 OD1 ASP 30 17.646 -43.276 1.120 1.00 73.31 ATOM 492 OD2 ASP 30 17.427 -42.176 -0.770 1.00 61.43 ATOM 493 C ASP 30 19.076 -45.318 -3.068 1.00 33.20 ATOM 494 O ASP 30 20.260 -45.271 -3.399 1.00 54.40 ATOM 495 N GLY 31 18.307 -46.382 -3.281 1.00 62.23 ATOM 496 HN GLY 31 17.378 -46.395 -2.979 1.00 38.39 ATOM 497 CA GLY 31 18.842 -47.565 -3.930 1.00 73.20 ATOM 498 HA1 GLY 31 19.654 -47.296 -4.595 1.00 38.39 ATOM 499 HA2 GLY 31 18.055 -48.014 -4.519 1.00 22.21 ATOM 500 C GLY 31 19.342 -48.595 -2.937 1.00 21.03 ATOM 501 O GLY 31 20.397 -49.197 -3.135 1.00 65.21 ATOM 502 N ASP 32 18.585 -48.797 -1.864 1.00 54.03 ATOM 503 HN ASP 32 17.738 -48.303 -1.760 1.00 38.39 ATOM 504 CA ASP 32 18.957 -49.761 -0.835 1.00 45.23 ATOM 505 HA ASP 32 19.979 -50.072 -1.016 1.00 63.21 ATOM 506 CB ASP 32 18.879 -49.116 0.550 1.00 62.44 ATOM 507 HB1 ASP 32 18.861 -49.879 1.316 1.00 38.39 ATOM 508 HB2 ASP 32 17.972 -48.533 0.617 1.00 32.33 ATOM 509 CG ASP 32 20.054 -48.199 0.828 1.00 34.05 ATOM 510 OD1 ASP 32 21.160 -48.715 1.088 1.00 24.25 ATOM 511 OD2 ASP 32 19.866 -46.965 0.788 1.00 54.14 ATOM 512 C ASP 32 18.056 -50.990 -0.890 1.00 13.03 ATOM 513 O ASP 32 16.923 -50.938 -1.369 1.00 33.22 ATOM 514 N PRO 33 18.569 -52.123 -0.388 1.00 73.44 ATOM 515 CA PRO 33 17.827 -53.387 -0.369 1.00 34.40 ATOM 516 HA PRO 33 17.465 -53.649 -1.349 1.00 14.40 ATOM 517 CB PRO 33 18.878 -54.409 0.070 1.00 22.34 ATOM 518 HB1 PRO 33 19.329 -54.854 -0.804 1.00 38.39 ATOM 519 HB2 PRO 33 18.431 -55.186 0.679 1.00 21.23 ATOM 520 CG PRO 33 19.878 -53.617 0.841 1.00 75.23 ATOM 521 HG1 PRO 33 20.848 -54.087 0.776 1.00 38.39 ATOM 522 HG2 PRO 33 19.567 -53.537 1.872 1.00 21.23 ATOM 523 CD PRO 33 19.912 -52.258 0.199 1.00 45.04 ATOM 524 HD1 PRO 33 20.673 -52.223 -0.567 1.00 38.39 ATOM 525 HD2 PRO 33 20.096 -51.507 0.945 1.00 41.04 ATOM 526 C PRO 33 16.664 -53.362 0.617 1.00 31.03 ATOM 527 O PRO 33 15.776 -54.214 0.569 1.00 4.01 ATOM 528 N LYS 34 16.674 -52.379 1.511 1.00 21.34 ATOM 529 HN LYS 34 17.414 -51.737 1.536 1.00 38.39 ATOM 530 CA LYS 34 15.620 -52.241 2.509 1.00 54.11 ATOM 531 HA LYS 34 15.153 -53.204 2.659 1.00 3.53 ATOM 532 CB LYS 34 16.210 -51.786 3.846 1.00 61.44 ATOM 533 HB1 LYS 34 15.415 -51.712 4.576 1.00 38.39 ATOM 534 HB2 LYS 34 16.644 -50.802 3.710 1.00 64.31 ATOM 535 CG LYS 34 17.302 -52.702 4.371 1.00 31.40 ATOM 536 HG1 LYS 34 18.102 -52.081 4.750 1.00 38.39 ATOM 537 HG2 LYS 34 17.687 -53.325 3.574 1.00 51.11 ATOM 538 CD LYS 34 16.787 -53.604 5.481 1.00 44.32 ATOM 539 HD1 LYS 34 16.524 -54.562 5.056 1.00 38.39 ATOM 540 HD2 LYS 34 15.913 -53.167 5.948 1.00 50.02 ATOM 541 CE LYS 34 17.839 -53.817 6.558 1.00 4.15 ATOM 542 HE1 LYS 34 17.334 -54.072 7.478 1.00 38.39 ATOM 543 HE2 LYS 34 18.406 -52.908 6.709 1.00 3.42 ATOM 544 NZ LYS 34 18.774 -54.923 6.210 1.00 3.50 ATOM 545 HZ1 LYS 34 19.479 -55.041 6.965 1.00 73.10 ATOM 546 HZ2 LYS 34 19.272 -54.711 5.321 1.00 33.55 ATOM 547 HZ3 LYS 34 18.252 -55.817 6.098 1.00 4.45 ATOM 548 C LYS 34 14.559 -51.247 2.045 1.00 23.14 ATOM 549 O LYS 34 13.464 -51.188 2.605 1.00 41.23 ATOM 550 N ARG 35 14.891 -50.470 1.020 1.00 44.30 ATOM 551 HN ARG 35 15.784 -50.543 0.617 1.00 38.39 ATOM 552 CA ARG 35 13.967 -49.479 0.482 1.00 43.14 ATOM 553 HA ARG 35 13.774 -48.747 1.254 1.00 0.15 ATOM 554 CB ARG 35 14.589 -48.773 -0.725 1.00 11.12 ATOM 555 HB1 ARG 35 14.805 -49.498 -1.494 1.00 38.39 ATOM 556 HB2 ARG 35 15.522 -48.328 -0.403 1.00 31.45 ATOM 557 CG ARG 35 13.703 -47.691 -1.321 1.00 32.24 ATOM 558 HG1 ARG 35 12.993 -47.348 -0.580 1.00 38.39 ATOM 559 HG2 ARG 35 13.174 -48.110 -2.156 1.00 60.11 ATOM 560 CD ARG 35 14.521 -46.504 -1.803 1.00 42.12 ATOM 561 HD1 ARG 35 13.893 -45.862 -2.397 1.00 38.39 ATOM 562 HD2 ARG 35 15.333 -46.866 -2.418 1.00 73.12 ATOM 563 NE ARG 35 15.087 -45.742 -0.693 1.00 45.04 ATOM 564 HE ARG 35 16.039 -45.856 -0.513 1.00 11.00 ATOM 565 CZ ARG 35 14.376 -44.925 0.076 1.00 63.22 ATOM 566 NH1 ARG 35 13.078 -44.766 -0.143 1.00 44.30 ATOM 567 HH11 ARG 35 12.606 -45.257 -0.868 1.00 43.34 ATOM 568 HH12 ARG 35 12.565 -44.104 0.390 1.00 11.04 ATOM 569 NH2 ARG 35 14.963 -44.266 1.067 1.00 63.42 ATOM 570 HH21 ARG 35 15.935 -44.395 1.248 1.00 65.30 ATOM 571 HH22 ARG 35 14.442 -43.626 1.625 1.00 44.01 ATOM 572 C ARG 35 12.647 -50.129 0.079 1.00 31.22 ATOM 573 O ARG 35 11.610 -49.891 0.699 1.00 23.03 ATOM 574 N LYS 36 12.692 -50.951 -0.964 1.00 31.44 ATOM 575 HN LYS 36 13.530 -51.069 -1.434 1.00 38.39 ATOM 576 CA LYS 36 11.501 -51.637 -1.450 1.00 33.42 ATOM 577 HA LYS 36 10.796 -50.888 -1.778 1.00 55.23 ATOM 578 CB LYS 36 11.854 -52.540 -2.634 1.00 24.22 ATOM 579 HB1 LYS 36 12.509 -52.016 -3.306 1.00 38.39 ATOM 580 HB2 LYS 36 10.947 -52.776 -3.160 1.00 32.41 ATOM 581 CG LYS 36 12.485 -53.860 -2.225 1.00 61.12 ATOM 582 HG1 LYS 36 12.540 -54.496 -3.095 1.00 38.39 ATOM 583 HG2 LYS 36 11.880 -54.352 -1.481 1.00 25.51 ATOM 584 CD LYS 36 13.887 -53.661 -1.673 1.00 74.30 ATOM 585 HD1 LYS 36 14.288 -54.629 -1.411 1.00 38.39 ATOM 586 HD2 LYS 36 13.860 -53.050 -0.798 1.00 73.34 ATOM 587 CE LYS 36 14.807 -53.028 -2.705 1.00 3.54 ATOM 588 HE1 LYS 36 15.812 -53.059 -2.330 1.00 38.39 ATOM 589 HE2 LYS 36 14.527 -52.004 -2.866 1.00 71.21 ATOM 590 NZ LYS 36 14.763 -53.750 -4.006 1.00 12.10 ATOM 591 HZ1 LYS 36 15.570 -53.460 -4.595 1.00 3.13 ATOM 592 HZ2 LYS 36 13.887 -53.523 -4.517 1.00 72.11 ATOM 593 HZ3 LYS 36 14.813 -54.782 -3.861 1.00 41.24 ATOM 594 C LYS 36 10.858 -52.464 -0.341 1.00 23.44 ATOM 595 O LYS 36 9.661 -52.746 -0.379 1.00 63.40 ATOM 596 N GLU 37 11.662 -52.848 0.647 1.00 71.15 ATOM 597 HN GLU 37 12.612 -52.625 0.628 1.00 38.39 ATOM 598 CA GLU 37 11.170 -53.642 1.766 1.00 31.03 ATOM 599 HA GLU 37 10.587 -54.466 1.369 1.00 70.32 ATOM 600 CB GLU 37 12.341 -54.201 2.577 1.00 33.04 ATOM 601 HB1 GLU 37 11.996 -54.402 3.584 1.00 38.39 ATOM 602 HB2 GLU 37 13.119 -53.472 2.621 1.00 73.12 ATOM 603 CG GLU 37 12.924 -55.481 2.002 1.00 13.20 ATOM 604 HG1 GLU 37 13.684 -55.223 1.283 1.00 38.39 ATOM 605 HG2 GLU 37 12.142 -56.045 1.509 1.00 75.33 ATOM 606 CD GLU 37 13.544 -56.368 3.064 1.00 43.03 ATOM 607 OE1 GLU 37 13.572 -55.953 4.241 1.00 11.52 ATOM 608 OE2 GLU 37 14.002 -57.477 2.718 1.00 43.25 ATOM 609 C GLU 37 10.264 -52.808 2.668 1.00 23.11 ATOM 610 O GLU 37 9.140 -53.205 2.976 1.00 24.42 ATOM 611 N PHE 38 10.762 -51.650 3.089 1.00 63.05 ATOM 612 HN PHE 38 11.667 -51.383 2.803 1.00 38.39 ATOM 613 CA PHE 38 10.000 -50.760 3.956 1.00 11.03 ATOM 614 HA PHE 38 9.689 -51.321 4.828 1.00 21.33 ATOM 615 CB PHE 38 10.872 -49.588 4.413 1.00 74.32 ATOM 616 HB1 PHE 38 11.286 -49.128 3.535 1.00 38.39 ATOM 617 HB2 PHE 38 11.680 -49.967 5.026 1.00 1.04 ATOM 618 CG PHE 38 10.119 -48.550 5.194 1.00 54.52 ATOM 619 CD1 PHE 38 9.473 -47.509 4.545 1.00 34.42 ATOM 620 HD1 PHE 38 9.516 -47.446 3.471 1.00 71.45 ATOM 621 CD2 PHE 38 10.056 -48.614 6.576 1.00 1.55 ATOM 622 HD2 PHE 38 10.556 -49.420 7.097 1.00 45.11 ATOM 623 CE1 PHE 38 8.780 -46.552 5.262 1.00 53.14 ATOM 624 HE1 PHE 38 8.281 -45.746 4.745 1.00 10.53 ATOM 625 CE2 PHE 38 9.364 -47.659 7.298 1.00 23.13 ATOM 626 HE2 PHE 38 9.323 -47.721 8.375 1.00 62.54 ATOM 627 CZ PHE 38 8.724 -46.628 6.640 1.00 44.53 ATOM 628 HZ PHE 38 8.183 -45.881 7.202 1.00 50.54 ATOM 629 C PHE 38 8.758 -50.236 3.242 1.00 73.23 ATOM 630 O PHE 38 7.679 -50.149 3.830 1.00 2.55 ATOM 631 N LEU 39 8.917 -49.889 1.969 1.00 11.35 ATOM 632 HN LEU 39 9.806 -49.971 1.550 1.00 38.39 ATOM 633 CA LEU 39 7.809 -49.373 1.173 1.00 41.41 ATOM 634 HA LEU 39 7.371 -48.539 1.699 1.00 13.04 ATOM 635 CB LEU 39 8.313 -48.903 -0.193 1.00 13.20 ATOM 636 HB1 LEU 39 7.471 -48.603 -0.784 1.00 38.39 ATOM 637 HB2 LEU 39 8.786 -49.743 -0.682 1.00 2.35 ATOM 638 CG LEU 39 9.313 -47.746 -0.178 1.00 72.21 ATOM 639 HG LEU 39 10.233 -48.076 0.268 1.00 44.21 ATOM 640 CD1 LEU 39 9.619 -47.287 -1.595 1.00 60.02 ATOM 641 HD11 LEU 39 10.287 -46.447 -1.558 1.00 0.21 ATOM 642 HD12 LEU 39 8.703 -46.999 -2.091 1.00 41.01 ATOM 643 HD13 LEU 39 10.086 -48.093 -2.143 1.00 45.02 ATOM 644 CD2 LEU 39 8.779 -46.590 0.655 1.00 21.35 ATOM 645 HD21 LEU 39 8.678 -46.890 1.681 1.00 10.51 ATOM 646 HD22 LEU 39 7.816 -46.280 0.275 1.00 60.21 ATOM 647 HD23 LEU 39 9.467 -45.756 0.600 1.00 42.03 ATOM 648 C LEU 39 6.728 -50.433 0.992 1.00 62.54 ATOM 649 O LEU 39 5.575 -50.230 1.371 1.00 53.23 ATOM 650 N ASP 40 7.110 -51.566 0.412 1.00 73.21 ATOM 651 HN ASP 40 8.050 -51.669 0.127 1.00 38.39 ATOM 652 CA ASP 40 6.174 -52.661 0.183 1.00 31.14 ATOM 653 HA ASP 40 5.437 -52.320 -0.532 1.00 35.45 ATOM 654 CB ASP 40 6.906 -53.874 -0.392 1.00 60.24 ATOM 655 HB1 ASP 40 7.564 -54.292 0.359 1.00 38.39 ATOM 656 HB2 ASP 40 7.495 -53.556 -1.239 1.00 12.14 ATOM 657 CG ASP 40 5.954 -54.957 -0.861 1.00 15.33 ATOM 658 OD1 ASP 40 6.257 -56.149 -0.645 1.00 2.14 ATOM 659 OD2 ASP 40 4.904 -54.612 -1.443 1.00 10.25 ATOM 660 C ASP 40 5.463 -53.047 1.477 1.00 70.23 ATOM 661 O ASP 40 4.237 -53.153 1.515 1.00 60.51 ATOM 662 N ASP 41 6.240 -53.257 2.533 1.00 5.32 ATOM 663 HN ASP 41 7.218 -53.158 2.440 1.00 38.39 ATOM 664 CA ASP 41 5.685 -53.631 3.829 1.00 64.22 ATOM 665 HA ASP 41 5.095 -54.529 3.693 1.00 44.33 ATOM 666 CB ASP 41 6.810 -53.922 4.824 1.00 14.54 ATOM 667 HB1 ASP 41 7.334 -53.005 5.059 1.00 38.39 ATOM 668 HB2 ASP 41 7.503 -54.618 4.375 1.00 14.31 ATOM 669 CG ASP 41 6.297 -54.530 6.115 1.00 61.10 ATOM 670 OD1 ASP 41 5.916 -53.762 7.023 1.00 31.02 ATOM 671 OD2 ASP 41 6.276 -55.774 6.216 1.00 23.34 ATOM 672 C ASP 41 4.781 -52.529 4.371 1.00 35.43 ATOM 673 O ASP 41 3.746 -52.805 4.980 1.00 13.30 ATOM 674 N LEU 42 5.177 -51.282 4.148 1.00 44.52 ATOM 675 HN LEU 42 6.022 -51.118 3.667 1.00 38.39 ATOM 676 CA LEU 42 4.403 -50.137 4.615 1.00 32.01 ATOM 677 HA LEU 42 4.288 -50.222 5.688 1.00 33.31 ATOM 678 CB LEU 42 5.141 -48.834 4.301 1.00 33.41 ATOM 679 HB1 LEU 42 5.351 -48.823 3.244 1.00 38.39 ATOM 680 HB2 LEU 42 6.082 -48.850 4.830 1.00 42.52 ATOM 681 CG LEU 42 4.408 -47.543 4.666 1.00 33.00 ATOM 682 HG LEU 42 3.361 -47.651 4.483 1.00 72.42 ATOM 683 CD1 LEU 42 4.583 -47.229 6.144 1.00 42.03 ATOM 684 HD11 LEU 42 5.611 -46.958 6.346 1.00 10.13 ATOM 685 HD12 LEU 42 4.319 -48.097 6.735 1.00 11.14 ATOM 686 HD13 LEU 42 3.935 -46.414 6.413 1.00 64.52 ATOM 687 CD2 LEU 42 4.905 -46.387 3.810 1.00 23.24 ATOM 688 HD21 LEU 42 4.746 -46.616 2.765 1.00 42.14 ATOM 689 HD22 LEU 42 5.960 -46.229 3.986 1.00 11.41 ATOM 690 HD23 LEU 42 4.360 -45.488 4.063 1.00 33.40 ATOM 691 C LEU 42 3.019 -50.118 3.974 1.00 32.03 ATOM 692 O LEU 42 2.006 -49.985 4.662 1.00 24.22 ATOM 693 N PHE 43 2.982 -50.254 2.653 1.00 44.22 ATOM 694 HN PHE 43 3.829 -50.385 2.165 1.00 38.39 ATOM 695 CA PHE 43 1.722 -50.254 1.919 1.00 44.53 ATOM 696 HA PHE 43 1.200 -49.339 2.139 1.00 13.34 ATOM 697 CB PHE 43 1.985 -50.316 0.413 1.00 61.53 ATOM 698 HB1 PHE 43 1.070 -50.080 -0.111 1.00 38.39 ATOM 699 HB2 PHE 43 2.296 -51.320 0.145 1.00 55.41 ATOM 700 CG PHE 43 3.042 -49.355 -0.052 1.00 74.42 ATOM 701 CD1 PHE 43 3.096 -48.067 0.454 1.00 0.12 ATOM 702 HD1 PHE 43 2.385 -47.755 1.196 1.00 13.11 ATOM 703 CD2 PHE 43 3.980 -49.740 -0.996 1.00 61.51 ATOM 704 HD2 PHE 43 3.951 -50.743 -1.401 1.00 63.34 ATOM 705 CE1 PHE 43 4.067 -47.180 0.029 1.00 62.12 ATOM 706 HE1 PHE 43 4.098 -46.178 0.431 1.00 14.54 ATOM 707 CE2 PHE 43 4.954 -48.858 -1.425 1.00 33.31 ATOM 708 HE2 PHE 43 5.675 -49.163 -2.158 1.00 61.34 ATOM 709 CZ PHE 43 4.997 -47.576 -0.913 1.00 34.22 ATOM 710 HZ PHE 43 5.757 -46.885 -1.247 1.00 35.30 ATOM 711 C PHE 43 0.845 -51.428 2.343 1.00 45.01 ATOM 712 O PHE 43 -0.326 -51.253 2.677 1.00 54.13 ATOM 713 N SER 44 1.422 -52.625 2.327 1.00 61.54 ATOM 714 HN SER 44 2.368 -52.701 2.053 1.00 38.39 ATOM 715 CA SER 44 0.693 -53.830 2.705 1.00 31.30 ATOM 716 HA SER 44 -0.183 -53.907 2.074 1.00 41.44 ATOM 717 CB SER 44 1.565 -55.069 2.488 1.00 14.32 ATOM 718 HB1 SER 44 1.226 -55.880 3.122 1.00 38.39 ATOM 719 HB2 SER 44 2.592 -54.837 2.729 1.00 30.01 ATOM 720 OG SER 44 1.505 -55.505 1.141 1.00 11.12 ATOM 721 HG SER 44 0.700 -56.010 1.000 1.00 42.22 ATOM 722 C SER 44 0.244 -53.759 4.162 1.00 44.25 ATOM 723 O SER 44 -0.765 -54.352 4.542 1.00 13.30 ATOM 724 N PHE 45 1.003 -53.028 4.972 1.00 32.44 ATOM 725 HN PHE 45 1.813 -52.590 4.625 1.00 38.39 ATOM 726 CA PHE 45 0.685 -52.879 6.388 1.00 63.22 ATOM 727 HA PHE 45 0.483 -53.861 6.798 1.00 33.15 ATOM 728 CB PHE 45 1.873 -52.272 7.137 1.00 21.24 ATOM 729 HB1 PHE 45 2.258 -51.437 6.572 1.00 38.39 ATOM 730 HB2 PHE 45 2.650 -53.021 7.221 1.00 31.41 ATOM 731 CG PHE 45 1.529 -51.796 8.520 1.00 44.33 ATOM 732 CD1 PHE 45 1.424 -52.693 9.570 1.00 71.41 ATOM 733 HD1 PHE 45 1.591 -53.747 9.392 1.00 44.34 ATOM 734 CD2 PHE 45 1.312 -50.450 8.769 1.00 24.21 ATOM 735 HD2 PHE 45 1.391 -49.737 7.959 1.00 2.00 ATOM 736 CE1 PHE 45 1.107 -52.258 10.843 1.00 40.44 ATOM 737 HE1 PHE 45 1.029 -52.970 11.645 1.00 63.12 ATOM 738 CE2 PHE 45 0.996 -50.008 10.040 1.00 74.41 ATOM 739 HE2 PHE 45 0.821 -48.964 10.213 1.00 13.43 ATOM 740 CZ PHE 45 0.894 -50.913 11.078 1.00 31.32 ATOM 741 HZ PHE 45 0.639 -50.569 12.062 1.00 72.54 ATOM 742 C PHE 45 -0.551 -52.006 6.579 1.00 52.43 ATOM 743 O PHE 45 -1.548 -52.440 7.156 1.00 45.30 ATOM 744 N MET 46 -0.478 -50.772 6.090 1.00 61.02 ATOM 745 HN MET 46 0.365 -50.480 5.673 1.00 38.39 ATOM 746 CA MET 46 -1.591 -49.837 6.206 1.00 72.12 ATOM 747 HA MET 46 -1.854 -49.753 7.252 1.00 53.01 ATOM 748 CB MET 46 -1.181 -48.456 5.691 1.00 71.25 ATOM 749 HB1 MET 46 -0.422 -48.072 6.358 1.00 38.39 ATOM 750 HB2 MET 46 -2.020 -47.797 5.719 1.00 62.44 ATOM 751 CG MET 46 -0.625 -48.476 4.276 1.00 2.10 ATOM 752 HG1 MET 46 -1.426 -48.307 3.582 1.00 38.39 ATOM 753 HG2 MET 46 -0.180 -49.420 4.063 1.00 15.53 ATOM 754 SD MET 46 0.632 -47.211 4.006 1.00 32.32 ATOM 755 CE MET 46 -0.297 -45.726 4.379 1.00 51.00 ATOM 756 HE1 MET 46 0.160 -45.239 5.203 1.00 41.13 ATOM 757 HE2 MET 46 -1.320 -45.966 4.626 1.00 54.23 ATOM 758 HE3 MET 46 -0.285 -45.079 3.529 1.00 45.45 ATOM 759 C MET 46 -2.807 -50.341 5.434 1.00 44.43 ATOM 760 O MET 46 -3.925 -50.332 5.947 1.00 52.14 ATOM 761 N GLN 47 -2.579 -50.778 4.199 1.00 4.34 ATOM 762 HN GLN 47 -1.664 -50.808 3.853 1.00 38.39 ATOM 763 CA GLN 47 -3.656 -51.284 3.357 1.00 12.45 ATOM 764 HA GLN 47 -4.308 -50.459 3.119 1.00 25.12 ATOM 765 CB GLN 47 -3.090 -51.859 2.058 1.00 3.32 ATOM 766 HB1 GLN 47 -2.288 -52.538 2.308 1.00 38.39 ATOM 767 HB2 GLN 47 -2.688 -51.050 1.466 1.00 63.03 ATOM 768 CG GLN 47 -4.109 -52.635 1.241 1.00 35.30 ATOM 769 HG1 GLN 47 -5.103 -52.250 1.442 1.00 38.39 ATOM 770 HG2 GLN 47 -4.065 -53.673 1.537 1.00 42.43 ATOM 771 CD GLN 47 -3.847 -52.553 -0.250 1.00 31.32 ATOM 772 OE1 GLN 47 -2.753 -52.869 -0.718 1.00 22.44 ATOM 773 NE2 GLN 47 -4.853 -52.128 -1.006 1.00 5.54 ATOM 774 HE21 GLN 47 -5.708 -51.889 -0.582 1.00 3.03 ATOM 775 HE22 GLN 47 -4.701 -52.069 -1.972 1.00 74.12 ATOM 776 C GLN 47 -4.464 -52.350 4.090 1.00 53.13 ATOM 777 O GLN 47 -5.668 -52.490 3.873 1.00 71.12 ATOM 778 N LYS 48 -3.795 -53.100 4.958 1.00 65.42 ATOM 779 HN LYS 48 -2.825 -52.976 5.069 1.00 38.39 ATOM 780 CA LYS 48 -4.449 -54.154 5.724 1.00 73.34 ATOM 781 HA LYS 48 -5.096 -54.712 5.055 1.00 4.55 ATOM 782 CB LYS 48 -3.407 -55.103 6.319 1.00 22.13 ATOM 783 HB1 LYS 48 -3.835 -55.623 7.168 1.00 38.39 ATOM 784 HB2 LYS 48 -2.564 -54.524 6.660 1.00 73.52 ATOM 785 CG LYS 48 -2.912 -56.155 5.341 1.00 15.04 ATOM 786 HG1 LYS 48 -2.743 -55.693 4.376 1.00 38.39 ATOM 787 HG2 LYS 48 -3.670 -56.919 5.244 1.00 24.33 ATOM 788 CD LYS 48 -1.627 -56.805 5.824 1.00 4.33 ATOM 789 HD1 LYS 48 -1.867 -57.487 6.626 1.00 38.39 ATOM 790 HD2 LYS 48 -0.945 -56.050 6.189 1.00 10.23 ATOM 791 CE LYS 48 -0.944 -57.584 4.711 1.00 61.31 ATOM 792 HE1 LYS 48 -0.042 -58.029 5.104 1.00 38.39 ATOM 793 HE2 LYS 48 -0.689 -56.904 3.911 1.00 21.32 ATOM 794 NZ LYS 48 -1.819 -58.661 4.171 1.00 70.34 ATOM 795 HZ1 LYS 48 -1.284 -59.244 3.496 1.00 25.44 ATOM 796 HZ2 LYS 48 -2.637 -58.252 3.677 1.00 64.13 ATOM 797 HZ3 LYS 48 -2.162 -59.275 4.940 1.00 23.01 ATOM 798 C LYS 48 -5.310 -53.564 6.836 1.00 5.04 ATOM 799 O LYS 48 -6.362 -54.106 7.173 1.00 14.34 ATOM 800 N ARG 49 -4.855 -52.450 7.402 1.00 71.51 ATOM 801 HN ARG 49 -3.999 -52.071 7.110 1.00 38.39 ATOM 802 CA ARG 49 -5.584 -51.787 8.476 1.00 3.13 ATOM 803 HA ARG 49 -5.944 -52.542 9.164 1.00 4.54 ATOM 804 CB ARG 49 -4.658 -50.836 9.238 1.00 71.23 ATOM 805 HB1 ARG 49 -3.627 -51.111 9.051 1.00 38.39 ATOM 806 HB2 ARG 49 -4.861 -50.944 10.293 1.00 22.44 ATOM 807 CG ARG 49 -4.846 -49.375 8.865 1.00 41.32 ATOM 808 HG1 ARG 49 -5.826 -49.048 9.179 1.00 38.39 ATOM 809 HG2 ARG 49 -4.754 -49.278 7.812 1.00 1.52 ATOM 810 CD ARG 49 -3.810 -48.490 9.540 1.00 2.02 ATOM 811 HD1 ARG 49 -4.105 -47.456 9.448 1.00 38.39 ATOM 812 HD2 ARG 49 -2.863 -48.633 9.040 1.00 72.14 ATOM 813 NE ARG 49 -3.644 -48.822 10.953 1.00 43.14 ATOM 814 HE ARG 49 -2.849 -49.338 11.204 1.00 70.52 ATOM 815 CZ ARG 49 -4.511 -48.473 11.896 1.00 21.14 ATOM 816 NH1 ARG 49 -5.600 -47.786 11.580 1.00 44.13 ATOM 817 HH11 ARG 49 -5.796 -47.513 10.644 1.00 11.12 ATOM 818 HH12 ARG 49 -6.248 -47.532 12.302 1.00 23.52 ATOM 819 NH2 ARG 49 -4.290 -48.812 13.160 1.00 32.31 ATOM 820 HH21 ARG 49 -3.469 -49.332 13.406 1.00 44.54 ATOM 821 HH22 ARG 49 -4.943 -48.550 13.874 1.00 72.24 ATOM 822 C ARG 49 -6.781 -51.017 7.927 1.00 42.25 ATOM 823 O ARG 49 -7.683 -50.637 8.672 1.00 41.12 ATOM 824 N GLY 50 -6.781 -50.789 6.616 1.00 30.54 ATOM 825 HN GLY 50 -6.040 -51.091 6.054 1.00 38.39 ATOM 826 CA GLY 50 -7.871 -50.065 5.989 1.00 32.43 ATOM 827 HA1 GLY 50 -8.710 -49.969 6.667 1.00 38.39 ATOM 828 HA2 GLY 50 -8.196 -50.625 5.125 1.00 15.45 ATOM 829 C GLY 50 -7.459 -48.681 5.529 1.00 63.55 ATOM 830 O GLY 50 -8.219 -47.722 5.660 1.00 14.11 ATOM 831 N THR 51 -6.249 -48.576 4.987 1.00 1.44 ATOM 832 HN THR 51 -5.683 -49.376 4.894 1.00 38.39 ATOM 833 CA THR 51 -5.735 -47.299 4.508 1.00 11.33 ATOM 834 HA THR 51 -6.516 -46.797 3.951 1.00 72.55 ATOM 835 CB THR 51 -5.336 -46.379 5.678 1.00 64.41 ATOM 836 HB THR 51 -6.228 -46.124 6.234 1.00 64.42 ATOM 837 OG1 THR 51 -4.738 -45.179 5.175 1.00 23.25 ATOM 838 HG1 THR 51 -4.841 -44.472 5.818 1.00 22.14 ATOM 839 CG2 THR 51 -4.363 -47.084 6.612 1.00 13.21 ATOM 840 HG21 THR 51 -4.125 -48.068 6.262 1.00 30.43 ATOM 841 HG22 THR 51 -4.825 -47.138 7.568 1.00 62.35 ATOM 842 HG23 THR 51 -3.455 -46.502 6.695 1.00 61.51 ATOM 843 C THR 51 -4.528 -47.498 3.599 1.00 73.25 ATOM 844 O THR 51 -3.393 -47.179 3.954 1.00 74.43 ATOM 845 N PRO 52 -4.776 -48.038 2.396 1.00 43.43 ATOM 846 CA PRO 52 -3.721 -48.290 1.409 1.00 31.44 ATOM 847 HA PRO 52 -2.917 -48.877 1.829 1.00 4.44 ATOM 848 CB PRO 52 -4.436 -49.101 0.326 1.00 70.34 ATOM 849 HB1 PRO 52 -4.314 -50.126 0.521 1.00 38.39 ATOM 850 HB2 PRO 52 -4.045 -48.874 -0.657 1.00 73.34 ATOM 851 CG PRO 52 -5.869 -48.713 0.445 1.00 12.23 ATOM 852 HG1 PRO 52 -6.498 -49.523 0.108 1.00 38.39 ATOM 853 HG2 PRO 52 -6.058 -47.823 -0.137 1.00 45.43 ATOM 854 CD PRO 52 -6.104 -48.442 1.906 1.00 52.24 ATOM 855 HD1 PRO 52 -6.445 -49.336 2.406 1.00 38.39 ATOM 856 HD2 PRO 52 -6.822 -47.645 2.022 1.00 43.42 ATOM 857 C PRO 52 -3.154 -47.002 0.824 1.00 52.34 ATOM 858 O PRO 52 -3.557 -45.904 1.208 1.00 41.43 ATOM 859 N VAL 53 -2.217 -47.143 -0.109 1.00 14.32 ATOM 860 HN VAL 53 -1.933 -48.045 -0.385 1.00 38.39 ATOM 861 CA VAL 53 -1.596 -45.989 -0.749 1.00 32.50 ATOM 862 HA VAL 53 -1.916 -45.082 -0.242 1.00 72.14 ATOM 863 CB VAL 53 -0.060 -46.057 -0.658 1.00 11.55 ATOM 864 HB VAL 53 0.275 -46.957 -1.156 1.00 42.25 ATOM 865 CG1 VAL 53 0.569 -44.862 -1.358 1.00 64.23 ATOM 866 HG11 VAL 53 1.632 -44.837 -1.150 1.00 64.24 ATOM 867 HG12 VAL 53 0.118 -43.946 -1.002 1.00 53.14 ATOM 868 HG13 VAL 53 0.427 -44.941 -2.425 1.00 61.12 ATOM 869 CG2 VAL 53 0.384 -46.127 0.796 1.00 60.43 ATOM 870 HG21 VAL 53 -0.217 -45.475 1.399 1.00 20.35 ATOM 871 HG22 VAL 53 1.424 -45.841 0.886 1.00 61.21 ATOM 872 HG23 VAL 53 0.264 -47.141 1.141 1.00 31.11 ATOM 873 C VAL 53 -2.003 -45.889 -2.215 1.00 32.13 ATOM 874 O VAL 53 -1.375 -46.489 -3.086 1.00 52.21 ATOM 875 N ASN 54 -3.059 -45.126 -2.479 1.00 43.12 ATOM 876 HN ASN 54 -3.516 -44.660 -1.738 1.00 38.39 ATOM 877 CA ASN 54 -3.550 -44.946 -3.840 1.00 73.54 ATOM 878 HA ASN 54 -3.526 -45.911 -4.337 1.00 73.14 ATOM 879 CB ASN 54 -4.991 -44.432 -3.821 1.00 33.31 ATOM 880 HB1 ASN 54 -5.000 -43.377 -3.573 1.00 38.39 ATOM 881 HB2 ASN 54 -5.542 -44.972 -3.063 1.00 14.11 ATOM 882 CG ASN 54 -5.698 -44.642 -5.146 1.00 60.01 ATOM 883 OD1 ASN 54 -5.798 -45.766 -5.638 1.00 32.22 ATOM 884 ND2 ASN 54 -6.192 -43.557 -5.731 1.00 60.12 ATOM 885 HD21 ASN 54 -6.083 -42.682 -5.294 1.00 25.14 ATOM 886 HD22 ASN 54 -6.653 -43.673 -6.588 1.00 14.04 ATOM 887 C ASN 54 -2.663 -43.977 -4.616 1.00 32.21 ATOM 888 O ASN 54 -2.275 -44.249 -5.752 1.00 44.10 ATOM 889 N ARG 55 -2.346 -42.846 -3.994 1.00 35.54 ATOM 890 HN ARG 55 -2.697 -42.669 -3.090 1.00 38.39 ATOM 891 CA ARG 55 -1.506 -41.836 -4.625 1.00 62.51 ATOM 892 HA ARG 55 -1.013 -42.268 -5.488 1.00 0.13 ATOM 893 CB ARG 55 -2.357 -40.654 -5.093 1.00 65.44 ATOM 894 HB1 ARG 55 -3.074 -41.017 -5.818 1.00 38.39 ATOM 895 HB2 ARG 55 -1.717 -39.923 -5.571 1.00 62.45 ATOM 896 CG ARG 55 -3.116 -39.968 -3.970 1.00 73.01 ATOM 897 HG1 ARG 55 -2.409 -39.525 -3.284 1.00 38.39 ATOM 898 HG2 ARG 55 -3.715 -40.700 -3.449 1.00 12.51 ATOM 899 CD ARG 55 -4.032 -38.877 -4.502 1.00 40.14 ATOM 900 HD1 ARG 55 -4.872 -39.340 -4.998 1.00 38.39 ATOM 901 HD2 ARG 55 -3.481 -38.273 -5.214 1.00 54.13 ATOM 902 NE ARG 55 -4.529 -38.011 -3.436 1.00 43.14 ATOM 903 HE ARG 55 -4.338 -38.269 -2.504 1.00 63.04 ATOM 904 CZ ARG 55 -5.224 -36.900 -3.656 1.00 22.33 ATOM 905 NH1 ARG 55 -5.503 -36.523 -4.896 1.00 31.04 ATOM 906 HH11 ARG 55 -5.203 -37.058 -5.683 1.00 15.31 ATOM 907 HH12 ARG 55 -6.027 -35.683 -5.052 1.00 3.10 ATOM 908 NH2 ARG 55 -5.642 -36.165 -2.633 1.00 45.12 ATOM 909 HH21 ARG 55 -5.435 -36.445 -1.693 1.00 71.31 ATOM 910 HH22 ARG 55 -6.166 -35.326 -2.796 1.00 73.42 ATOM 911 C ARG 55 -0.425 -41.350 -3.664 1.00 32.12 ATOM 912 O ARG 55 -0.501 -41.587 -2.458 1.00 31.41 ATOM 913 N ILE 56 0.579 -40.670 -4.206 1.00 41.21 ATOM 914 HN ILE 56 0.592 -40.506 -5.177 1.00 38.39 ATOM 915 CA ILE 56 1.674 -40.150 -3.397 1.00 21.14 ATOM 916 HA ILE 56 1.538 -40.510 -2.388 1.00 30.23 ATOM 917 CB ILE 56 3.037 -40.670 -3.892 1.00 54.55 ATOM 918 HB ILE 56 3.194 -40.303 -4.899 1.00 42.22 ATOM 919 CG1 ILE 56 3.048 -42.199 -3.909 1.00 24.54 ATOM 920 HG11 ILE 56 2.146 -42.568 -4.379 1.00 38.39 ATOM 921 HG12 ILE 56 3.092 -42.575 -2.896 1.00 11.43 ATOM 922 CG2 ILE 56 4.158 -40.135 -3.015 1.00 5.10 ATOM 923 HG21 ILE 56 5.105 -40.470 -3.406 1.00 24.43 ATOM 924 HG22 ILE 56 4.046 -40.510 -2.011 1.00 72.14 ATOM 925 HG23 ILE 56 4.151 -39.056 -3.000 1.00 42.42 ATOM 926 CD1 ILE 56 4.215 -42.787 -4.671 1.00 43.34 ATOM 927 HD11 ILE 56 5.134 -42.302 -4.394 1.00 55.35 ATOM 928 HD12 ILE 56 4.036 -42.638 -5.717 1.00 51.41 ATOM 929 HD13 ILE 56 4.284 -43.845 -4.466 1.00 74.44 ATOM 930 C ILE 56 1.690 -38.625 -3.407 1.00 33.32 ATOM 931 O ILE 56 1.581 -37.986 -4.453 1.00 42.42 ATOM 932 N PRO 57 1.830 -38.027 -2.215 1.00 33.04 ATOM 933 CA PRO 57 1.866 -36.570 -2.059 1.00 54.24 ATOM 934 HA PRO 57 1.001 -36.107 -2.515 1.00 11.30 ATOM 935 CB PRO 57 1.806 -36.373 -0.543 1.00 10.04 ATOM 936 HB1 PRO 57 0.778 -36.243 -0.256 1.00 38.39 ATOM 937 HB2 PRO 57 2.381 -35.506 -0.239 1.00 12.44 ATOM 938 CG PRO 57 2.363 -37.633 0.025 1.00 11.30 ATOM 939 HG1 PRO 57 1.941 -37.814 1.002 1.00 38.39 ATOM 940 HG2 PRO 57 3.439 -37.564 0.087 1.00 61.43 ATOM 941 CD PRO 57 1.964 -38.727 -0.926 1.00 64.11 ATOM 942 HD1 PRO 57 1.022 -39.159 -0.627 1.00 38.39 ATOM 943 HD2 PRO 57 2.724 -39.475 -0.950 1.00 74.43 ATOM 944 C PRO 57 3.142 -35.958 -2.626 1.00 50.33 ATOM 945 O PRO 57 4.242 -36.448 -2.372 1.00 65.22 ATOM 946 N ILE 58 2.988 -34.884 -3.394 1.00 74.41 ATOM 947 HN ILE 58 2.085 -34.526 -3.560 1.00 38.39 ATOM 948 CA ILE 58 4.129 -34.205 -3.995 1.00 74.11 ATOM 949 HA ILE 58 5.008 -34.832 -3.890 1.00 11.02 ATOM 950 CB ILE 58 3.905 -33.950 -5.497 1.00 54.23 ATOM 951 HB ILE 58 3.029 -33.327 -5.611 1.00 74.43 ATOM 952 CG1 ILE 58 3.672 -35.272 -6.232 1.00 44.54 ATOM 953 HG11 ILE 58 3.504 -35.072 -7.282 1.00 38.39 ATOM 954 HG12 ILE 58 2.799 -35.759 -5.823 1.00 0.41 ATOM 955 CG2 ILE 58 5.093 -33.209 -6.092 1.00 10.45 ATOM 956 HG21 ILE 58 6.008 -33.697 -5.814 1.00 53.31 ATOM 957 HG22 ILE 58 5.107 -32.190 -5.735 1.00 1.03 ATOM 958 HG23 ILE 58 5.011 -33.196 -7.172 1.00 22.24 ATOM 959 CD1 ILE 58 4.833 -36.236 -6.123 1.00 12.31 ATOM 960 HD11 ILE 58 5.761 -35.750 -6.376 1.00 52.12 ATOM 961 HD12 ILE 58 4.670 -37.059 -6.803 1.00 43.41 ATOM 962 HD13 ILE 58 4.884 -36.618 -5.117 1.00 71.13 ATOM 963 C ILE 58 4.405 -32.876 -3.301 1.00 3.13 ATOM 964 O ILE 58 3.554 -31.988 -3.276 1.00 75.01 ATOM 965 N MET 59 5.603 -32.746 -2.739 1.00 53.00 ATOM 966 HN MET 59 6.252 -33.485 -2.786 1.00 38.39 ATOM 967 CA MET 59 5.993 -31.523 -2.047 1.00 20.33 ATOM 968 HA MET 59 5.167 -30.820 -2.075 1.00 25.45 ATOM 969 CB MET 59 6.313 -31.822 -0.581 1.00 1.22 ATOM 970 HB1 MET 59 7.148 -32.509 -0.543 1.00 38.39 ATOM 971 HB2 MET 59 5.457 -32.304 -0.128 1.00 53.55 ATOM 972 CG MET 59 6.685 -30.587 0.224 1.00 52.22 ATOM 973 HG1 MET 59 7.218 -29.878 -0.384 1.00 38.39 ATOM 974 HG2 MET 59 7.336 -30.900 1.027 1.00 12.24 ATOM 975 SD MET 59 5.247 -29.763 0.935 1.00 45.52 ATOM 976 CE MET 59 5.369 -30.285 2.644 1.00 75.02 ATOM 977 HE1 MET 59 6.101 -29.676 3.154 1.00 52.43 ATOM 978 HE2 MET 59 5.673 -31.321 2.684 1.00 63.11 ATOM 979 HE3 MET 59 4.411 -30.175 3.123 1.00 53.53 ATOM 980 C MET 59 7.199 -30.878 -2.721 1.00 43.14 ATOM 981 O MET 59 8.140 -31.564 -3.121 1.00 34.04 ATOM 982 N ALA 60 7.165 -29.555 -2.846 1.00 32.15 ATOM 983 HN ALA 60 6.389 -29.050 -2.512 1.00 38.39 ATOM 984 CA ALA 60 8.256 -28.818 -3.470 1.00 50.23 ATOM 985 HA ALA 60 7.987 -27.772 -3.482 1.00 31.01 ATOM 986 CB ALA 60 9.531 -28.970 -2.654 1.00 41.12 ATOM 987 HB1 ALA 60 10.301 -28.353 -3.086 1.00 43.44 ATOM 988 HB2 ALA 60 9.855 -29.997 -2.655 1.00 63.24 ATOM 989 HB3 ALA 60 9.345 -28.658 -1.644 1.00 62.24 ATOM 990 C ALA 60 8.484 -29.285 -4.904 1.00 23.12 ATOM 991 O ALA 60 9.617 -29.315 -5.385 1.00 50.24 ATOM 992 N LYS 61 7.401 -29.650 -5.582 1.00 24.34 ATOM 993 HN LYS 61 6.513 -29.595 -5.166 1.00 38.39 ATOM 994 CA LYS 61 7.482 -30.116 -6.961 1.00 24.11 ATOM 995 HA LYS 61 6.476 -30.293 -7.311 1.00 33.21 ATOM 996 CB LYS 61 8.137 -29.050 -7.843 1.00 73.41 ATOM 997 HB1 LYS 61 7.964 -29.306 -8.879 1.00 38.39 ATOM 998 HB2 LYS 61 9.204 -29.033 -7.667 1.00 13.01 ATOM 999 CG LYS 61 7.601 -27.649 -7.603 1.00 24.41 ATOM 1000 HG1 LYS 61 8.165 -26.961 -8.217 1.00 38.39 ATOM 1001 HG2 LYS 61 7.724 -27.379 -6.568 1.00 34.30 ATOM 1002 CD LYS 61 6.133 -27.542 -7.978 1.00 11.42 ATOM 1003 HD1 LYS 61 5.564 -28.249 -7.390 1.00 38.39 ATOM 1004 HD2 LYS 61 6.020 -27.771 -9.028 1.00 73.03 ATOM 1005 CE LYS 61 5.594 -26.142 -7.724 1.00 42.04 ATOM 1006 HE1 LYS 61 5.710 -25.559 -8.625 1.00 38.39 ATOM 1007 HE2 LYS 61 6.150 -25.674 -6.920 1.00 15.05 ATOM 1008 NZ LYS 61 4.154 -26.162 -7.348 1.00 14.12 ATOM 1009 HZ1 LYS 61 3.964 -26.912 -6.648 1.00 33.03 ATOM 1010 HZ2 LYS 61 3.566 -26.329 -8.185 1.00 74.52 ATOM 1011 HZ3 LYS 61 3.895 -25.249 -6.929 1.00 15.25 ATOM 1012 C LYS 61 8.271 -31.419 -7.050 1.00 13.12 ATOM 1013 O LYS 61 8.769 -31.781 -8.115 1.00 71.12 ATOM 1014 N GLN 62 8.378 -32.118 -5.925 1.00 31.42 ATOM 1015 HN GLN 62 7.930 -31.819 -5.113 1.00 38.39 ATOM 1016 CA GLN 62 9.105 -33.381 -5.877 1.00 61.34 ATOM 1017 HA GLN 62 9.130 -33.809 -6.874 1.00 23.32 ATOM 1018 CB GLN 62 10.543 -33.149 -5.411 1.00 2.22 ATOM 1019 HB1 GLN 62 10.984 -32.372 -6.018 1.00 38.39 ATOM 1020 HB2 GLN 62 11.101 -34.065 -5.554 1.00 73.14 ATOM 1021 CG GLN 62 10.650 -32.734 -3.952 1.00 51.23 ATOM 1022 HG1 GLN 62 10.026 -33.355 -3.331 1.00 38.39 ATOM 1023 HG2 GLN 62 10.331 -31.712 -3.873 1.00 40.35 ATOM 1024 CD GLN 62 12.069 -32.813 -3.425 1.00 61.42 ATOM 1025 OE1 GLN 62 12.814 -31.834 -3.465 1.00 64.03 ATOM 1026 NE2 GLN 62 12.451 -33.983 -2.927 1.00 30.43 ATOM 1027 HE21 GLN 62 11.813 -34.732 -2.921 1.00 32.25 ATOM 1028 HE22 GLN 62 13.365 -34.054 -2.581 1.00 21.30 ATOM 1029 C GLN 62 8.412 -34.374 -4.951 1.00 34.42 ATOM 1030 O GLN 62 7.785 -33.986 -3.965 1.00 23.14 ATOM 1031 N VAL 63 8.527 -35.659 -5.275 1.00 1.55 ATOM 1032 HN VAL 63 9.009 -35.897 -6.100 1.00 38.39 ATOM 1033 CA VAL 63 7.912 -36.708 -4.471 1.00 11.12 ATOM 1034 HA VAL 63 6.851 -36.552 -4.477 1.00 51.42 ATOM 1035 CB VAL 63 8.201 -38.104 -5.054 1.00 51.11 ATOM 1036 HB VAL 63 7.755 -38.155 -6.035 1.00 24.01 ATOM 1037 CG1 VAL 63 9.699 -38.322 -5.199 1.00 61.34 ATOM 1038 HG11 VAL 63 9.874 -39.288 -5.654 1.00 61.34 ATOM 1039 HG12 VAL 63 10.174 -38.301 -4.231 1.00 24.10 ATOM 1040 HG13 VAL 63 10.131 -37.560 -5.826 1.00 0.32 ATOM 1041 CG2 VAL 63 7.578 -39.184 -4.183 1.00 22.22 ATOM 1042 HG21 VAL 63 8.041 -39.196 -3.208 1.00 13.32 ATOM 1043 HG22 VAL 63 7.720 -40.149 -4.643 1.00 42.31 ATOM 1044 HG23 VAL 63 6.520 -38.994 -4.075 1.00 11.40 ATOM 1045 C VAL 63 8.408 -36.659 -3.030 1.00 14.40 ATOM 1046 O VAL 63 9.593 -36.437 -2.777 1.00 34.43 ATOM 1047 N LEU 64 7.494 -36.867 -2.088 1.00 51.45 ATOM 1048 HN LEU 64 6.561 -37.055 -2.351 1.00 38.39 ATOM 1049 CA LEU 64 7.838 -36.847 -0.671 1.00 13.31 ATOM 1050 HA LEU 64 8.618 -36.111 -0.529 1.00 74.32 ATOM 1051 CB LEU 64 6.622 -36.441 0.163 1.00 15.15 ATOM 1052 HB1 LEU 64 5.884 -37.232 0.094 1.00 38.39 ATOM 1053 HB2 LEU 64 6.199 -35.549 -0.283 1.00 3.35 ATOM 1054 CG LEU 64 6.887 -36.157 1.642 1.00 34.14 ATOM 1055 HG LEU 64 7.305 -37.041 2.101 1.00 50.42 ATOM 1056 CD1 LEU 64 7.893 -35.028 1.797 1.00 0.42 ATOM 1057 HD11 LEU 64 7.541 -34.149 1.274 1.00 44.21 ATOM 1058 HD12 LEU 64 8.846 -35.331 1.394 1.00 73.13 ATOM 1059 HD13 LEU 64 8.016 -34.792 2.846 1.00 23.13 ATOM 1060 CD2 LEU 64 5.589 -35.820 2.362 1.00 53.23 ATOM 1061 HD21 LEU 64 5.792 -35.588 3.397 1.00 23.13 ATOM 1062 HD22 LEU 64 4.919 -36.666 2.312 1.00 41.31 ATOM 1063 HD23 LEU 64 5.123 -34.965 1.891 1.00 43.52 ATOM 1064 C LEU 64 8.349 -38.210 -0.215 1.00 43.54 ATOM 1065 O LEU 64 7.566 -39.129 0.026 1.00 45.41 ATOM 1066 N ASP 65 9.667 -38.332 -0.098 1.00 52.02 ATOM 1067 HN ASP 65 10.244 -37.559 -0.310 1.00 38.39 ATOM 1068 CA ASP 65 10.283 -39.582 0.332 1.00 43.32 ATOM 1069 HA ASP 65 10.064 -40.331 -0.417 1.00 54.42 ATOM 1070 CB ASP 65 11.800 -39.416 0.440 1.00 70.20 ATOM 1071 HB1 ASP 65 12.224 -40.312 0.864 1.00 38.39 ATOM 1072 HB2 ASP 65 12.023 -38.577 1.081 1.00 1.44 ATOM 1073 CG ASP 65 12.454 -39.180 -0.907 1.00 41.21 ATOM 1074 OD1 ASP 65 13.681 -39.386 -1.015 1.00 12.12 ATOM 1075 OD2 ASP 65 11.739 -38.788 -1.854 1.00 4.15 ATOM 1076 C ASP 65 9.712 -40.037 1.671 1.00 1.21 ATOM 1077 O ASP 65 10.081 -39.517 2.725 1.00 45.42 ATOM 1078 N LEU 66 8.809 -41.010 1.623 1.00 12.42 ATOM 1079 HN LEU 66 8.557 -41.391 0.750 1.00 38.39 ATOM 1080 CA LEU 66 8.185 -41.535 2.833 1.00 51.32 ATOM 1081 HA LEU 66 7.762 -40.710 3.382 1.00 62.14 ATOM 1082 CB LEU 66 7.079 -42.528 2.470 1.00 3.32 ATOM 1083 HB1 LEU 66 6.759 -43.028 3.378 1.00 38.39 ATOM 1084 HB2 LEU 66 7.503 -43.268 1.806 1.00 54.43 ATOM 1085 CG LEU 66 5.840 -41.936 1.797 1.00 63.31 ATOM 1086 HG LEU 66 6.120 -41.532 0.835 1.00 43.31 ATOM 1087 CD1 LEU 66 4.793 -43.014 1.566 1.00 73.14 ATOM 1088 HD11 LEU 66 4.486 -43.435 2.514 1.00 14.44 ATOM 1089 HD12 LEU 66 5.209 -43.796 0.945 1.00 25.30 ATOM 1090 HD13 LEU 66 3.934 -42.585 1.069 1.00 3.20 ATOM 1091 CD2 LEU 66 5.267 -40.804 2.636 1.00 52.31 ATOM 1092 HD21 LEU 66 5.102 -41.143 3.650 1.00 10.43 ATOM 1093 HD22 LEU 66 4.326 -40.477 2.213 1.00 65.14 ATOM 1094 HD23 LEU 66 5.952 -39.972 2.642 1.00 4.23 ATOM 1095 C LEU 66 9.218 -42.211 3.729 1.00 72.04 ATOM 1096 O LEU 66 9.251 -41.982 4.938 1.00 42.01 ATOM 1097 N PHE 67 10.061 -43.044 3.127 1.00 53.42 ATOM 1098 HN PHE 67 9.979 -43.198 2.155 1.00 38.39 ATOM 1099 CA PHE 67 11.096 -43.753 3.870 1.00 41.42 ATOM 1100 HA PHE 67 10.605 -44.455 4.531 1.00 15.32 ATOM 1101 CB PHE 67 12.008 -44.520 2.910 1.00 53.22 ATOM 1102 HB1 PHE 67 12.604 -43.811 2.363 1.00 38.39 ATOM 1103 HB2 PHE 67 11.394 -45.071 2.208 1.00 75.11 ATOM 1104 CG PHE 67 12.932 -45.481 3.601 1.00 62.14 ATOM 1105 CD1 PHE 67 12.688 -46.844 3.565 1.00 30.44 ATOM 1106 HD1 PHE 67 11.825 -47.212 3.031 1.00 63.32 ATOM 1107 CD2 PHE 67 14.045 -45.021 4.286 1.00 64.24 ATOM 1108 HD2 PHE 67 14.259 -43.963 4.318 1.00 33.43 ATOM 1109 CE1 PHE 67 13.537 -47.732 4.200 1.00 51.23 ATOM 1110 HE1 PHE 67 13.349 -48.790 4.161 1.00 42.03 ATOM 1111 CE2 PHE 67 14.898 -45.904 4.921 1.00 1.33 ATOM 1112 HE2 PHE 67 15.762 -45.533 5.452 1.00 10.34 ATOM 1113 CZ PHE 67 14.643 -47.261 4.879 1.00 11.54 ATOM 1114 HZ PHE 67 15.308 -47.952 5.376 1.00 12.00 ATOM 1115 C PHE 67 11.923 -42.783 4.709 1.00 24.42 ATOM 1116 O PHE 67 12.130 -43.000 5.903 1.00 50.11 ATOM 1117 N MET 68 12.395 -41.714 4.075 1.00 34.54 ATOM 1118 HN MET 68 12.165 -41.583 3.126 1.00 38.39 ATOM 1119 CA MET 68 13.199 -40.711 4.764 1.00 71.45 ATOM 1120 HA MET 68 14.012 -41.212 5.267 1.00 35.44 ATOM 1121 CB MET 68 13.767 -39.706 3.760 1.00 51.00 ATOM 1122 HB1 MET 68 14.439 -39.028 4.260 1.00 38.39 ATOM 1123 HB2 MET 68 12.939 -39.147 3.350 1.00 52.21 ATOM 1124 CG MET 68 14.488 -40.356 2.590 1.00 34.21 ATOM 1125 HG1 MET 68 14.920 -39.580 1.976 1.00 38.39 ATOM 1126 HG2 MET 68 13.783 -40.919 2.008 1.00 1.42 ATOM 1127 SD MET 68 15.804 -41.470 3.118 1.00 73.15 ATOM 1128 CE MET 68 16.642 -40.453 4.331 1.00 61.35 ATOM 1129 HE1 MET 68 16.027 -40.359 5.213 1.00 10.53 ATOM 1130 HE2 MET 68 16.825 -39.474 3.914 1.00 64.40 ATOM 1131 HE3 MET 68 17.583 -40.912 4.596 1.00 71.50 ATOM 1132 C MET 68 12.373 -39.983 5.819 1.00 40.31 ATOM 1133 O MET 68 12.815 -39.807 6.955 1.00 33.33 ATOM 1134 N LEU 69 11.173 -39.560 5.437 1.00 61.14 ATOM 1135 HN LEU 69 10.879 -39.722 4.509 1.00 38.39 ATOM 1136 CA LEU 69 10.285 -38.850 6.350 1.00 1.24 ATOM 1137 HA LEU 69 10.765 -37.922 6.611 1.00 12.13 ATOM 1138 CB LEU 69 8.940 -38.575 5.675 1.00 2.23 ATOM 1139 HB1 LEU 69 8.233 -39.338 5.982 1.00 38.39 ATOM 1140 HB2 LEU 69 9.064 -38.658 4.608 1.00 65.41 ATOM 1141 CG LEU 69 8.314 -37.209 5.958 1.00 11.14 ATOM 1142 HG LEU 69 8.232 -37.073 7.027 1.00 33.30 ATOM 1143 CD1 LEU 69 9.192 -36.095 5.410 1.00 41.00 ATOM 1144 HD11 LEU 69 10.177 -36.144 5.845 1.00 3.04 ATOM 1145 HD12 LEU 69 8.752 -35.140 5.649 1.00 43.44 ATOM 1146 HD13 LEU 69 9.266 -36.196 4.339 1.00 11.34 ATOM 1147 CD2 LEU 69 6.915 -37.130 5.364 1.00 45.23 ATOM 1148 HD21 LEU 69 6.310 -37.943 5.729 1.00 31.12 ATOM 1149 HD22 LEU 69 6.978 -37.197 4.288 1.00 75.40 ATOM 1150 HD23 LEU 69 6.457 -36.191 5.640 1.00 54.14 ATOM 1151 C LEU 69 10.070 -39.649 7.632 1.00 52.23 ATOM 1152 O LEU 69 10.149 -39.107 8.734 1.00 10.53 ATOM 1153 N TYR 70 9.800 -40.940 7.479 1.00 74.32 ATOM 1154 HN TYR 70 9.749 -41.320 6.570 1.00 38.39 ATOM 1155 CA TYR 70 9.573 -41.815 8.624 1.00 50.55 ATOM 1156 HA TYR 70 8.807 -41.378 9.243 1.00 53.51 ATOM 1157 CB TYR 70 9.098 -43.191 8.155 1.00 54.33 ATOM 1158 HB1 TYR 70 9.798 -43.569 7.422 1.00 38.39 ATOM 1159 HB2 TYR 70 8.130 -43.090 7.687 1.00 54.12 ATOM 1160 CG TYR 70 8.986 -44.205 9.270 1.00 20.32 ATOM 1161 CD1 TYR 70 7.791 -44.383 9.957 1.00 4.43 ATOM 1162 HD1 TYR 70 6.931 -43.785 9.686 1.00 51.04 ATOM 1163 CD2 TYR 70 10.075 -44.986 9.638 1.00 41.42 ATOM 1164 HD2 TYR 70 11.014 -44.863 9.116 1.00 44.55 ATOM 1165 CE1 TYR 70 7.685 -45.308 10.978 1.00 52.23 ATOM 1166 HE1 TYR 70 6.748 -45.433 11.497 1.00 14.42 ATOM 1167 CE2 TYR 70 9.977 -45.914 10.656 1.00 63.22 ATOM 1168 HE2 TYR 70 10.835 -46.512 10.926 1.00 41.13 ATOM 1169 CZ TYR 70 8.780 -46.071 11.323 1.00 63.51 ATOM 1170 OH TYR 70 8.679 -46.994 12.339 1.00 62.55 ATOM 1171 HH TYR 70 9.145 -46.675 13.118 1.00 53.32 ATOM 1172 C TYR 70 10.842 -41.959 9.458 1.00 31.50 ATOM 1173 O TYR 70 10.841 -41.699 10.661 1.00 1.41 ATOM 1174 N VAL 71 11.924 -42.377 8.809 1.00 24.34 ATOM 1175 HN VAL 71 11.862 -42.543 7.839 1.00 38.39 ATOM 1176 CA VAL 71 13.202 -42.556 9.489 1.00 13.13 ATOM 1177 HA VAL 71 13.094 -43.368 10.197 1.00 72.14 ATOM 1178 CB VAL 71 14.320 -42.920 8.495 1.00 25.24 ATOM 1179 HB VAL 71 14.399 -42.129 7.762 1.00 43.42 ATOM 1180 CG1 VAL 71 15.656 -43.038 9.214 1.00 31.11 ATOM 1181 HG11 VAL 71 16.397 -43.451 8.540 1.00 65.04 ATOM 1182 HG12 VAL 71 15.558 -43.688 10.072 1.00 10.30 ATOM 1183 HG13 VAL 71 15.987 -42.063 9.538 1.00 51.41 ATOM 1184 CG2 VAL 71 13.983 -44.211 7.764 1.00 5.12 ATOM 1185 HG21 VAL 71 12.925 -44.309 7.600 1.00 22.34 ATOM 1186 HG22 VAL 71 14.324 -45.064 8.337 1.00 21.32 ATOM 1187 HG23 VAL 71 14.487 -44.198 6.821 1.00 62.02 ATOM 1188 C VAL 71 13.601 -41.295 10.248 1.00 64.41 ATOM 1189 O VAL 71 14.122 -41.367 11.362 1.00 12.31 ATOM 1190 N LEU 72 13.355 -40.141 9.638 1.00 74.40 ATOM 1191 HN LEU 72 12.942 -40.144 8.744 1.00 38.39 ATOM 1192 CA LEU 72 13.688 -38.863 10.256 1.00 42.30 ATOM 1193 HA LEU 72 14.698 -38.929 10.626 1.00 53.53 ATOM 1194 CB LEU 72 13.581 -37.734 9.229 1.00 65.22 ATOM 1195 HB1 LEU 72 13.253 -36.847 9.731 1.00 38.39 ATOM 1196 HB2 LEU 72 12.830 -37.989 8.499 1.00 75.44 ATOM 1197 CG LEU 72 14.871 -37.374 8.491 1.00 63.33 ATOM 1198 HG LEU 72 14.669 -36.569 7.799 1.00 64.03 ATOM 1199 CD1 LEU 72 15.931 -36.895 9.471 1.00 51.55 ATOM 1200 HD11 LEU 72 15.537 -36.082 10.067 1.00 41.41 ATOM 1201 HD12 LEU 72 16.792 -36.543 8.921 1.00 21.41 ATOM 1202 HD13 LEU 72 16.233 -37.703 10.120 1.00 33.25 ATOM 1203 CD2 LEU 72 15.380 -38.566 7.694 1.00 61.45 ATOM 1204 HD21 LEU 72 14.719 -38.751 6.870 1.00 30.30 ATOM 1205 HD22 LEU 72 15.442 -39.445 8.317 1.00 12.43 ATOM 1206 HD23 LEU 72 16.365 -38.345 7.303 1.00 25.10 ATOM 1207 C LEU 72 12.772 -38.575 11.441 1.00 20.32 ATOM 1208 O LEU 72 13.236 -38.372 12.563 1.00 2.41 ATOM 1209 N VAL 73 11.468 -38.562 11.185 1.00 73.41 ATOM 1210 HN VAL 73 11.158 -38.740 10.266 1.00 38.39 ATOM 1211 CA VAL 73 10.486 -38.303 12.231 1.00 74.50 ATOM 1212 HA VAL 73 10.606 -37.278 12.558 1.00 72.51 ATOM 1213 CB VAL 73 9.048 -38.487 11.709 1.00 41.40 ATOM 1214 HB VAL 73 8.970 -39.469 11.265 1.00 63.12 ATOM 1215 CG1 VAL 73 8.050 -38.402 12.853 1.00 15.32 ATOM 1216 HG11 VAL 73 8.052 -39.332 13.403 1.00 75.11 ATOM 1217 HG12 VAL 73 7.054 -38.235 12.462 1.00 70.23 ATOM 1218 HG13 VAL 73 8.306 -37.598 13.518 1.00 61.22 ATOM 1219 CG2 VAL 73 8.735 -37.452 10.639 1.00 55.02 ATOM 1220 HG21 VAL 73 7.855 -37.747 10.099 1.00 75.34 ATOM 1221 HG22 VAL 73 9.557 -37.349 9.953 1.00 73.42 ATOM 1222 HG23 VAL 73 8.554 -36.492 11.105 1.00 2.51 ATOM 1223 C VAL 73 10.701 -39.224 13.427 1.00 3.32 ATOM 1224 O VAL 73 10.524 -38.819 14.577 1.00 45.23 ATOM 1225 N THR 74 11.086 -40.466 13.150 1.00 54.22 ATOM 1226 HN THR 74 11.207 -40.742 12.212 1.00 38.39 ATOM 1227 CA THR 74 11.325 -41.445 14.202 1.00 2.24 ATOM 1228 HA THR 74 10.487 -41.421 14.891 1.00 72.13 ATOM 1229 CB THR 74 11.441 -42.870 13.629 1.00 51.33 ATOM 1230 HB THR 74 11.775 -43.542 14.411 1.00 12.15 ATOM 1231 OG1 THR 74 12.391 -42.891 12.557 1.00 12.24 ATOM 1232 HG1 THR 74 12.749 -43.777 12.459 1.00 72.43 ATOM 1233 CG2 THR 74 10.092 -43.362 13.127 1.00 71.21 ATOM 1234 HG21 THR 74 10.207 -44.357 12.760 1.00 75.23 ATOM 1235 HG22 THR 74 9.727 -42.723 12.344 1.00 74.21 ATOM 1236 HG23 THR 74 9.384 -43.366 13.943 1.00 63.22 ATOM 1237 C THR 74 12.595 -41.117 14.979 1.00 24.31 ATOM 1238 O THR 74 12.579 -41.039 16.207 1.00 44.21 ATOM 1239 N GLU 75 13.694 -40.927 14.255 1.00 52.40 ATOM 1240 HN GLU 75 13.641 -41.002 13.272 1.00 38.39 ATOM 1241 CA GLU 75 14.973 -40.607 14.878 1.00 31.41 ATOM 1242 HA GLU 75 15.236 -41.420 15.541 1.00 64.33 ATOM 1243 CB GLU 75 16.063 -40.467 13.814 1.00 61.03 ATOM 1244 HB1 GLU 75 15.803 -41.068 12.959 1.00 38.39 ATOM 1245 HB2 GLU 75 16.989 -40.852 14.216 1.00 31.31 ATOM 1246 CG GLU 75 16.270 -39.039 13.339 1.00 10.50 ATOM 1247 HG1 GLU 75 15.350 -38.490 13.344 1.00 38.39 ATOM 1248 HG2 GLU 75 16.637 -39.081 12.324 1.00 3.53 ATOM 1249 CD GLU 75 17.298 -38.292 14.167 1.00 52.21 ATOM 1250 OE1 GLU 75 17.576 -37.117 13.847 1.00 1.01 ATOM 1251 OE2 GLU 75 17.824 -38.882 15.134 1.00 52.54 ATOM 1252 C GLU 75 14.875 -39.322 15.694 1.00 12.40 ATOM 1253 O GLU 75 15.679 -39.081 16.595 1.00 72.12 ATOM 1254 N LYS 76 13.884 -38.497 15.372 1.00 74.55 ATOM 1255 HN LYS 76 13.299 -38.699 14.611 1.00 38.39 ATOM 1256 CA LYS 76 13.678 -37.236 16.073 1.00 32.02 ATOM 1257 HA LYS 76 14.646 -36.816 16.315 1.00 72.11 ATOM 1258 CB LYS 76 12.904 -36.256 15.188 1.00 64.44 ATOM 1259 HB1 LYS 76 12.523 -35.442 15.794 1.00 38.39 ATOM 1260 HB2 LYS 76 12.069 -36.775 14.740 1.00 5.15 ATOM 1261 CG LYS 76 13.741 -35.656 14.071 1.00 54.31 ATOM 1262 HG1 LYS 76 13.109 -35.010 13.486 1.00 38.39 ATOM 1263 HG2 LYS 76 14.127 -36.445 13.452 1.00 53.34 ATOM 1264 CD LYS 76 14.910 -34.856 14.619 1.00 44.42 ATOM 1265 HD1 LYS 76 15.743 -35.531 14.756 1.00 38.39 ATOM 1266 HD2 LYS 76 14.660 -34.418 15.568 1.00 74.33 ATOM 1267 CE LYS 76 15.340 -33.763 13.652 1.00 51.11 ATOM 1268 HE1 LYS 76 14.537 -33.059 13.524 1.00 38.39 ATOM 1269 HE2 LYS 76 15.568 -34.217 12.696 1.00 24.23 ATOM 1270 NZ LYS 76 16.554 -33.045 14.130 1.00 70.11 ATOM 1271 HZ1 LYS 76 17.351 -33.709 14.224 1.00 12.02 ATOM 1272 HZ2 LYS 76 16.379 -32.603 15.054 1.00 20.34 ATOM 1273 HZ3 LYS 76 16.818 -32.305 13.451 1.00 33.01 ATOM 1274 C LYS 76 12.926 -37.458 17.382 1.00 54.45 ATOM 1275 O LYS 76 13.016 -36.650 18.305 1.00 12.01 ATOM 1276 N GLY 77 12.184 -38.559 17.454 1.00 62.13 ATOM 1277 HN GLY 77 12.132 -39.171 16.697 1.00 38.39 ATOM 1278 CA GLY 77 11.429 -38.867 18.654 1.00 74.43 ATOM 1279 HA1 GLY 77 11.366 -37.998 19.299 1.00 38.39 ATOM 1280 HA2 GLY 77 11.940 -39.654 19.188 1.00 41.44 ATOM 1281 C GLY 77 10.019 -39.332 18.348 1.00 55.14 ATOM 1282 O GLY 77 9.366 -39.952 19.186 1.00 61.40 ATOM 1283 N GLY 78 9.546 -39.029 17.142 1.00 33.22 ATOM 1284 HN GLY 78 10.090 -38.519 16.503 1.00 38.39 ATOM 1285 CA GLY 78 8.206 -39.426 16.750 1.00 61.02 ATOM 1286 HA1 GLY 78 7.659 -39.820 17.598 1.00 38.39 ATOM 1287 HA2 GLY 78 8.285 -40.202 16.004 1.00 14.45 ATOM 1288 C GLY 78 7.409 -38.277 16.164 1.00 23.20 ATOM 1289 O GLY 78 7.789 -37.114 16.303 1.00 0.33 ATOM 1290 N LEU 79 6.303 -38.602 15.505 1.00 35.43 ATOM 1291 HN LEU 79 6.053 -39.554 15.423 1.00 38.39 ATOM 1292 CA LEU 79 5.450 -37.588 14.894 1.00 21.41 ATOM 1293 HA LEU 79 6.001 -37.129 14.089 1.00 40.02 ATOM 1294 CB LEU 79 4.183 -38.232 14.328 1.00 22.54 ATOM 1295 HB1 LEU 79 3.716 -38.798 15.122 1.00 38.39 ATOM 1296 HB2 LEU 79 4.486 -38.918 13.558 1.00 75.14 ATOM 1297 CG LEU 79 3.143 -37.272 13.751 1.00 34.40 ATOM 1298 HG LEU 79 2.755 -36.653 14.543 1.00 71.02 ATOM 1299 CD1 LEU 79 3.774 -36.365 12.707 1.00 65.33 ATOM 1300 HD11 LEU 79 4.398 -35.638 13.206 1.00 44.33 ATOM 1301 HD12 LEU 79 3.006 -35.846 12.149 1.00 61.43 ATOM 1302 HD13 LEU 79 4.381 -36.941 12.031 1.00 53.31 ATOM 1303 CD2 LEU 79 1.977 -38.046 13.153 1.00 72.32 ATOM 1304 HD21 LEU 79 1.230 -37.346 12.810 1.00 23.11 ATOM 1305 HD22 LEU 79 1.541 -38.687 13.906 1.00 35.43 ATOM 1306 HD23 LEU 79 2.308 -38.643 12.327 1.00 51.24 ATOM 1307 C LEU 79 5.078 -36.509 15.905 1.00 15.31 ATOM 1308 O LEU 79 5.303 -35.321 15.672 1.00 35.01 ATOM 1309 N VAL 80 4.508 -36.930 17.030 1.00 1.20 ATOM 1310 HN VAL 80 4.404 -37.897 17.166 1.00 38.39 ATOM 1311 CA VAL 80 4.107 -35.999 18.079 1.00 63.53 ATOM 1312 HA VAL 80 3.340 -35.351 17.672 1.00 65.33 ATOM 1313 CB VAL 80 3.524 -36.742 19.295 1.00 25.55 ATOM 1314 HB VAL 80 4.318 -37.300 19.775 1.00 61.21 ATOM 1315 CG1 VAL 80 2.962 -35.754 20.306 1.00 72.24 ATOM 1316 HG11 VAL 80 2.506 -34.923 19.792 1.00 61.00 ATOM 1317 HG12 VAL 80 3.764 -35.394 20.927 1.00 12.20 ATOM 1318 HG13 VAL 80 2.224 -36.229 20.931 1.00 64.24 ATOM 1319 CG2 VAL 80 2.457 -37.732 18.854 1.00 71.03 ATOM 1320 HG21 VAL 80 2.875 -38.467 18.188 1.00 72.43 ATOM 1321 HG22 VAL 80 1.668 -37.210 18.359 1.00 55.21 ATOM 1322 HG23 VAL 80 2.056 -38.237 19.718 1.00 0.25 ATOM 1323 C VAL 80 5.285 -35.145 18.535 1.00 73.11 ATOM 1324 O VAL 80 5.192 -33.919 18.585 1.00 74.24 ATOM 1325 N GLU 81 6.392 -35.802 18.867 1.00 50.24 ATOM 1326 HN GLU 81 6.404 -36.788 18.810 1.00 38.39 ATOM 1327 CA GLU 81 7.588 -35.101 19.319 1.00 21.42 ATOM 1328 HA GLU 81 7.352 -34.615 20.256 1.00 34.02 ATOM 1329 CB GLU 81 8.732 -36.092 19.544 1.00 30.44 ATOM 1330 HB1 GLU 81 9.079 -36.454 18.584 1.00 38.39 ATOM 1331 HB2 GLU 81 8.351 -36.936 20.106 1.00 14.24 ATOM 1332 CG GLU 81 9.919 -35.495 20.281 1.00 50.20 ATOM 1333 HG1 GLU 81 9.865 -34.418 20.257 1.00 38.39 ATOM 1334 HG2 GLU 81 10.824 -35.813 19.786 1.00 71.14 ATOM 1335 CD GLU 81 9.987 -35.934 21.731 1.00 42.02 ATOM 1336 OE1 GLU 81 9.006 -35.700 22.468 1.00 61.25 ATOM 1337 OE2 GLU 81 11.021 -36.511 22.129 1.00 54.24 ATOM 1338 C GLU 81 8.012 -34.040 18.308 1.00 1.45 ATOM 1339 O GLU 81 8.498 -32.971 18.680 1.00 22.42 ATOM 1340 N VAL 82 7.825 -34.342 17.028 1.00 54.14 ATOM 1341 HN VAL 82 7.442 -35.216 16.782 1.00 38.39 ATOM 1342 CA VAL 82 8.187 -33.415 15.962 1.00 14.54 ATOM 1343 HA VAL 82 9.179 -33.049 16.164 1.00 53.43 ATOM 1344 CB VAL 82 8.193 -34.112 14.589 1.00 14.11 ATOM 1345 HB VAL 82 7.213 -34.525 14.407 1.00 74.54 ATOM 1346 CG1 VAL 82 8.495 -33.112 13.484 1.00 62.05 ATOM 1347 HG11 VAL 82 7.851 -33.328 12.646 1.00 4.42 ATOM 1348 HG12 VAL 82 9.521 -33.212 13.158 1.00 3.02 ATOM 1349 HG13 VAL 82 8.332 -32.094 13.791 1.00 72.25 ATOM 1350 CG2 VAL 82 9.198 -35.254 14.576 1.00 14.23 ATOM 1351 HG21 VAL 82 9.162 -35.753 13.621 1.00 14.53 ATOM 1352 HG22 VAL 82 8.979 -35.949 15.351 1.00 23.21 ATOM 1353 HG23 VAL 82 10.192 -34.861 14.729 1.00 61.02 ATOM 1354 C VAL 82 7.227 -32.231 15.915 1.00 41.33 ATOM 1355 O VAL 82 7.652 -31.076 15.872 1.00 1.25 ATOM 1356 N ILE 83 5.932 -32.526 15.922 1.00 14.34 ATOM 1357 HN ILE 83 5.657 -33.470 15.982 1.00 38.39 ATOM 1358 CA ILE 83 4.911 -31.485 15.882 1.00 65.33 ATOM 1359 HA ILE 83 5.032 -30.931 14.958 1.00 12.12 ATOM 1360 CB ILE 83 3.494 -32.086 15.905 1.00 15.14 ATOM 1361 HB ILE 83 3.379 -32.640 16.828 1.00 22.43 ATOM 1362 CG1 ILE 83 3.297 -33.032 14.719 1.00 21.44 ATOM 1363 HG11 ILE 83 4.182 -33.617 14.553 1.00 38.39 ATOM 1364 HG12 ILE 83 3.104 -32.461 13.827 1.00 10.23 ATOM 1365 CG2 ILE 83 2.449 -30.980 15.886 1.00 43.43 ATOM 1366 HG21 ILE 83 2.641 -30.306 15.061 1.00 12.12 ATOM 1367 HG22 ILE 83 2.476 -30.430 16.814 1.00 4.24 ATOM 1368 HG23 ILE 83 1.464 -31.411 15.768 1.00 13.02 ATOM 1369 CD1 ILE 83 2.152 -34.003 14.904 1.00 31.23 ATOM 1370 HD11 ILE 83 2.333 -34.608 15.780 1.00 74.40 ATOM 1371 HD12 ILE 83 2.075 -34.641 14.039 1.00 54.43 ATOM 1372 HD13 ILE 83 1.231 -33.457 15.032 1.00 64.15 ATOM 1373 C ILE 83 5.063 -30.521 17.053 1.00 33.14 ATOM 1374 O ILE 83 4.795 -29.327 16.926 1.00 23.12 ATOM 1375 N ASN 84 5.495 -31.048 18.194 1.00 21.24 ATOM 1376 HN ASN 84 5.692 -32.012 18.245 1.00 38.39 ATOM 1377 CA ASN 84 5.684 -30.234 19.389 1.00 14.25 ATOM 1378 HA ASN 84 4.907 -29.477 19.418 1.00 14.32 ATOM 1379 CB ASN 84 5.576 -31.101 20.645 1.00 34.22 ATOM 1380 HB1 ASN 84 5.905 -30.532 21.507 1.00 38.39 ATOM 1381 HB2 ASN 84 6.216 -31.964 20.530 1.00 1.23 ATOM 1382 CG ASN 84 4.156 -31.566 20.907 1.00 51.14 ATOM 1383 OD1 ASN 84 3.221 -30.765 20.918 1.00 10.04 ATOM 1384 ND2 ASN 84 3.989 -32.866 21.118 1.00 74.21 ATOM 1385 HD21 ASN 84 4.772 -33.461 21.095 1.00 63.02 ATOM 1386 HD22 ASN 84 3.081 -33.183 21.297 1.00 40.12 ATOM 1387 C ASN 84 7.036 -29.529 19.360 1.00 43.14 ATOM 1388 O ASN 84 7.151 -28.365 19.744 1.00 2.03 ATOM 1389 N LYS 85 8.059 -30.242 18.899 1.00 13.23 ATOM 1390 HN LYS 85 7.912 -31.174 18.611 1.00 38.39 ATOM 1391 CA LYS 85 9.404 -29.686 18.816 1.00 0.24 ATOM 1392 HA LYS 85 9.643 -29.228 19.770 1.00 75.54 ATOM 1393 CB LYS 85 10.419 -30.793 18.524 1.00 73.35 ATOM 1394 HB1 LYS 85 11.312 -30.355 18.091 1.00 38.39 ATOM 1395 HB2 LYS 85 9.993 -31.468 17.803 1.00 63.14 ATOM 1396 CG LYS 85 10.815 -31.596 19.751 1.00 53.40 ATOM 1397 HG1 LYS 85 10.708 -32.642 19.521 1.00 38.39 ATOM 1398 HG2 LYS 85 10.176 -31.348 20.589 1.00 3.05 ATOM 1399 CD LYS 85 12.263 -31.346 20.137 1.00 11.20 ATOM 1400 HD1 LYS 85 12.901 -31.567 19.292 1.00 38.39 ATOM 1401 HD2 LYS 85 12.518 -31.997 20.960 1.00 21.22 ATOM 1402 CE LYS 85 12.485 -29.903 20.563 1.00 2.25 ATOM 1403 HE1 LYS 85 11.621 -29.550 21.114 1.00 38.39 ATOM 1404 HE2 LYS 85 12.617 -29.297 19.679 1.00 3.34 ATOM 1405 NZ LYS 85 13.689 -29.759 21.428 1.00 62.10 ATOM 1406 HZ1 LYS 85 13.812 -28.763 21.700 1.00 62.42 ATOM 1407 HZ2 LYS 85 14.541 -30.072 20.918 1.00 4.24 ATOM 1408 HZ3 LYS 85 13.585 -30.331 22.292 1.00 43.51 ATOM 1409 C LYS 85 9.483 -28.611 17.737 1.00 60.01 ATOM 1410 O LYS 85 10.425 -27.819 17.703 1.00 53.52 ATOM 1411 N LYS 86 8.488 -28.588 16.857 1.00 73.50 ATOM 1412 HN LYS 86 7.783 -29.264 16.878 1.00 38.39 ATOM 1413 CA LYS 86 8.442 -27.609 15.777 1.00 23.44 ATOM 1414 HA LYS 86 7.634 -27.881 15.117 1.00 4.22 ATOM 1415 CB LYS 86 8.181 -26.211 16.341 1.00 44.54 ATOM 1416 HB1 LYS 86 8.063 -25.518 15.523 1.00 38.39 ATOM 1417 HB2 LYS 86 9.036 -25.908 16.932 1.00 12.32 ATOM 1418 CG LYS 86 6.955 -26.133 17.233 1.00 30.22 ATOM 1419 HG1 LYS 86 6.979 -25.197 17.773 1.00 38.39 ATOM 1420 HG2 LYS 86 6.977 -26.941 17.939 1.00 74.40 ATOM 1421 CD LYS 86 5.671 -26.231 16.426 1.00 1.35 ATOM 1422 HD1 LYS 86 4.932 -26.708 17.047 1.00 38.39 ATOM 1423 HD2 LYS 86 5.822 -26.825 15.535 1.00 35.22 ATOM 1424 CE LYS 86 5.155 -24.855 16.031 1.00 22.44 ATOM 1425 HE1 LYS 86 5.426 -24.125 16.783 1.00 38.39 ATOM 1426 HE2 LYS 86 4.082 -24.895 15.959 1.00 43.55 ATOM 1427 NZ LYS 86 5.698 -24.416 14.716 1.00 72.41 ATOM 1428 HZ1 LYS 86 6.696 -24.149 14.810 1.00 1.10 ATOM 1429 HZ2 LYS 86 5.167 -23.590 14.374 1.00 21.13 ATOM 1430 HZ3 LYS 86 5.615 -25.177 14.008 1.00 74.41 ATOM 1431 C LYS 86 9.744 -27.614 14.983 1.00 25.51 ATOM 1432 O LYS 86 10.131 -26.602 14.398 1.00 12.42 ATOM 1433 N LEU 87 10.417 -28.760 14.965 1.00 35.20 ATOM 1434 HN LEU 87 10.037 -29.542 15.395 1.00 38.39 ATOM 1435 CA LEU 87 11.675 -28.897 14.241 1.00 63.55 ATOM 1436 HA LEU 87 12.142 -27.923 14.156 1.00 64.21 ATOM 1437 CB LEU 87 12.628 -29.820 15.004 1.00 53.34 ATOM 1438 HB1 LEU 87 12.491 -29.645 16.064 1.00 38.39 ATOM 1439 HB2 LEU 87 13.639 -29.538 14.744 1.00 61.31 ATOM 1440 CG LEU 87 12.471 -31.317 14.735 1.00 11.15 ATOM 1441 HG LEU 87 12.788 -31.550 13.734 1.00 55.44 ATOM 1442 CD1 LEU 87 13.358 -32.123 15.672 1.00 40.43 ATOM 1443 HD11 LEU 87 13.132 -33.167 15.564 1.00 52.32 ATOM 1444 HD12 LEU 87 13.171 -31.826 16.696 1.00 71.21 ATOM 1445 HD13 LEU 87 14.391 -31.945 15.432 1.00 45.12 ATOM 1446 CD2 LEU 87 11.016 -31.736 14.885 1.00 54.25 ATOM 1447 HD21 LEU 87 10.402 -31.266 14.142 1.00 45.24 ATOM 1448 HD22 LEU 87 10.664 -31.468 15.862 1.00 11.44 ATOM 1449 HD23 LEU 87 10.941 -32.808 14.770 1.00 44.11 ATOM 1450 C LEU 87 11.438 -29.442 12.836 1.00 64.33 ATOM 1451 O LEU 87 12.350 -29.978 12.206 1.00 71.55 ATOM 1452 N TRP 88 10.210 -29.299 12.351 1.00 63.41 ATOM 1453 HN TRP 88 9.514 -28.873 12.882 1.00 38.39 ATOM 1454 CA TRP 88 9.854 -29.776 11.019 1.00 3.50 ATOM 1455 HA TRP 88 9.838 -30.857 11.050 1.00 14.30 ATOM 1456 CB TRP 88 8.474 -29.251 10.619 1.00 4.33 ATOM 1457 HB1 TRP 88 8.422 -29.121 9.544 1.00 38.39 ATOM 1458 HB2 TRP 88 8.318 -28.295 11.095 1.00 60.11 ATOM 1459 CG TRP 88 7.354 -30.163 11.017 1.00 32.01 ATOM 1460 CD1 TRP 88 6.348 -29.889 11.900 1.00 60.35 ATOM 1461 HD1 TRP 88 6.242 -28.958 12.435 1.00 25.11 ATOM 1462 CD2 TRP 88 7.127 -31.496 10.548 1.00 73.52 ATOM 1463 NE1 TRP 88 5.509 -30.972 12.007 1.00 24.52 ATOM 1464 HE1 TRP 88 4.713 -31.021 12.577 1.00 3.14 ATOM 1465 CE2 TRP 88 5.965 -31.971 11.187 1.00 12.04 ATOM 1466 CE3 TRP 88 7.790 -32.335 9.648 1.00 24.03 ATOM 1467 HE3 TRP 88 8.678 -32.008 9.137 1.00 5.31 ATOM 1468 CZ2 TRP 88 5.456 -33.246 10.956 1.00 52.04 ATOM 1469 HZ2 TRP 88 4.566 -33.603 11.452 1.00 53.23 ATOM 1470 CZ3 TRP 88 7.284 -33.600 9.420 1.00 61.34 ATOM 1471 HZ3 TRP 88 7.778 -34.259 8.727 1.00 51.30 ATOM 1472 CH2 TRP 88 6.126 -34.046 10.070 1.00 12.21 ATOM 1473 HH2 TRP 88 5.767 -35.043 9.862 1.00 5.52 ATOM 1474 C TRP 88 10.894 -29.343 9.991 1.00 73.34 ATOM 1475 O TRP 88 11.122 -30.034 8.998 1.00 63.24 ATOM 1476 N ARG 89 11.521 -28.197 10.235 1.00 74.22 ATOM 1477 HN ARG 89 11.273 -27.675 11.024 1.00 38.39 ATOM 1478 CA ARG 89 12.535 -27.673 9.329 1.00 63.24 ATOM 1479 HA ARG 89 12.046 -27.397 8.406 1.00 43.21 ATOM 1480 CB ARG 89 13.195 -26.431 9.931 1.00 73.14 ATOM 1481 HB1 ARG 89 13.804 -25.964 9.170 1.00 38.39 ATOM 1482 HB2 ARG 89 13.838 -26.739 10.749 1.00 44.14 ATOM 1483 CG ARG 89 12.202 -25.421 10.482 1.00 52.24 ATOM 1484 HG1 ARG 89 12.381 -25.296 11.540 1.00 38.39 ATOM 1485 HG2 ARG 89 11.187 -25.760 10.329 1.00 13.03 ATOM 1486 CD ARG 89 12.342 -24.071 9.795 1.00 14.05 ATOM 1487 HD1 ARG 89 11.385 -23.570 9.840 1.00 38.39 ATOM 1488 HD2 ARG 89 12.617 -24.210 8.756 1.00 2.53 ATOM 1489 NE ARG 89 13.339 -23.226 10.447 1.00 32.33 ATOM 1490 HE ARG 89 13.802 -23.585 11.240 1.00 12.53 ATOM 1491 CZ ARG 89 13.653 -22.005 10.030 1.00 3.01 ATOM 1492 NH1 ARG 89 13.051 -21.488 8.968 1.00 63.32 ATOM 1493 HH11 ARG 89 12.356 -22.000 8.464 1.00 44.55 ATOM 1494 HH12 ARG 89 13.294 -20.565 8.660 1.00 1.14 ATOM 1495 NH2 ARG 89 14.571 -21.298 10.676 1.00 4.33 ATOM 1496 HH21 ARG 89 15.030 -21.683 11.480 1.00 41.13 ATOM 1497 HH22 ARG 89 14.810 -20.376 10.363 1.00 4.05 ATOM 1498 C ARG 89 13.594 -28.730 9.029 1.00 45.11 ATOM 1499 O ARG 89 14.011 -28.897 7.883 1.00 33.01 ATOM 1500 N GLU 90 14.026 -29.439 10.067 1.00 33.32 ATOM 1501 HN GLU 90 13.647 -29.267 10.961 1.00 38.39 ATOM 1502 CA GLU 90 15.037 -30.478 9.914 1.00 22.43 ATOM 1503 HA GLU 90 15.910 -30.035 9.453 1.00 74.54 ATOM 1504 CB GLU 90 15.435 -31.039 11.281 1.00 3.23 ATOM 1505 HB1 GLU 90 16.191 -31.804 11.147 1.00 38.39 ATOM 1506 HB2 GLU 90 14.563 -31.489 11.737 1.00 75.32 ATOM 1507 CG GLU 90 15.968 -29.986 12.239 1.00 63.31 ATOM 1508 HG1 GLU 90 15.832 -30.346 13.248 1.00 38.39 ATOM 1509 HG2 GLU 90 15.422 -29.062 12.121 1.00 15.23 ATOM 1510 CD GLU 90 17.444 -29.703 12.032 1.00 34.22 ATOM 1511 OE1 GLU 90 17.767 -28.683 11.388 1.00 73.20 ATOM 1512 OE2 GLU 90 18.275 -30.501 12.514 1.00 74.01 ATOM 1513 C GLU 90 14.529 -31.605 9.019 1.00 1.10 ATOM 1514 O GLU 90 15.253 -32.098 8.153 1.00 14.12 ATOM 1515 N ILE 91 13.281 -32.007 9.235 1.00 41.22 ATOM 1516 HN ILE 91 12.746 -31.550 9.921 1.00 38.39 ATOM 1517 CA ILE 91 12.676 -33.074 8.448 1.00 60.12 ATOM 1518 HA ILE 91 13.271 -33.968 8.581 1.00 2.43 ATOM 1519 CB ILE 91 11.236 -33.368 8.910 1.00 45.40 ATOM 1520 HB ILE 91 10.628 -32.504 8.695 1.00 53.13 ATOM 1521 CG1 ILE 91 11.206 -33.634 10.416 1.00 15.44 ATOM 1522 HG11 ILE 91 10.184 -33.817 10.719 1.00 38.39 ATOM 1523 HG12 ILE 91 11.574 -32.777 10.953 1.00 30.21 ATOM 1524 CG2 ILE 91 10.666 -34.553 8.145 1.00 0.34 ATOM 1525 HG21 ILE 91 9.750 -34.885 8.610 1.00 43.11 ATOM 1526 HG22 ILE 91 11.376 -35.369 8.145 1.00 43.02 ATOM 1527 HG23 ILE 91 10.457 -34.261 7.127 1.00 1.45 ATOM 1528 CD1 ILE 91 12.025 -34.834 10.835 1.00 5.10 ATOM 1529 HD11 ILE 91 11.901 -34.985 11.892 1.00 21.51 ATOM 1530 HD12 ILE 91 13.068 -34.669 10.617 1.00 12.21 ATOM 1531 HD13 ILE 91 11.676 -35.710 10.315 1.00 45.51 ATOM 1532 C ILE 91 12.660 -32.722 6.964 1.00 12.32 ATOM 1533 O ILE 91 13.010 -33.542 6.115 1.00 31.43 ATOM 1534 N THR 92 12.252 -31.494 6.658 1.00 43.15 ATOM 1535 HN THR 92 11.979 -30.879 7.380 1.00 38.39 ATOM 1536 CA THR 92 12.191 -31.032 5.277 1.00 50.43 ATOM 1537 HA THR 92 11.612 -31.752 4.711 1.00 52.53 ATOM 1538 CB THR 92 11.521 -29.648 5.177 1.00 62.12 ATOM 1539 HB THR 92 12.169 -28.963 4.641 1.00 52.34 ATOM 1540 OG1 THR 92 11.289 -29.120 6.487 1.00 24.25 ATOM 1541 HG1 THR 92 11.238 -28.161 6.446 1.00 34.33 ATOM 1542 CG2 THR 92 10.204 -29.738 4.420 1.00 4.24 ATOM 1543 HG21 THR 92 9.783 -30.725 4.491 1.00 73.40 ATOM 1544 HG22 THR 92 10.382 -29.508 3.380 1.00 11.01 ATOM 1545 HG23 THR 92 9.509 -29.017 4.822 1.00 4.23 ATOM 1546 C THR 92 13.583 -30.956 4.660 1.00 10.51 ATOM 1547 O THR 92 13.811 -31.446 3.554 1.00 24.22 ATOM 1548 N LYS 93 14.512 -30.338 5.382 1.00 52.20 ATOM 1549 HN LYS 93 14.268 -29.959 6.260 1.00 38.39 ATOM 1550 CA LYS 93 15.883 -30.199 4.907 1.00 4.33 ATOM 1551 HA LYS 93 15.855 -29.652 3.972 1.00 72.31 ATOM 1552 CB LYS 93 16.720 -29.419 5.924 1.00 2.01 ATOM 1553 HB1 LYS 93 17.078 -30.096 6.691 1.00 38.39 ATOM 1554 HB2 LYS 93 16.090 -28.676 6.400 1.00 32.21 ATOM 1555 CG LYS 93 17.924 -28.722 5.314 1.00 22.13 ATOM 1556 HG1 LYS 93 18.280 -29.286 4.461 1.00 38.39 ATOM 1557 HG2 LYS 93 18.704 -28.676 6.061 1.00 22.21 ATOM 1558 CD LYS 93 17.585 -27.309 4.869 1.00 33.53 ATOM 1559 HD1 LYS 93 17.156 -26.766 5.701 1.00 38.39 ATOM 1560 HD2 LYS 93 16.870 -27.358 4.062 1.00 15.45 ATOM 1561 CE LYS 93 18.820 -26.565 4.386 1.00 70.55 ATOM 1562 HE1 LYS 93 19.526 -26.490 5.201 1.00 38.39 ATOM 1563 HE2 LYS 93 18.527 -25.574 4.073 1.00 5.24 ATOM 1564 NZ LYS 93 19.472 -27.259 3.241 1.00 64.33 ATOM 1565 HZ1 LYS 93 20.211 -26.650 2.836 1.00 33.51 ATOM 1566 HZ2 LYS 93 18.776 -27.475 2.496 1.00 71.11 ATOM 1567 HZ3 LYS 93 19.912 -28.146 3.558 1.00 70.03 ATOM 1568 C LYS 93 16.513 -31.565 4.656 1.00 43.03 ATOM 1569 O LYS 93 17.329 -31.726 3.749 1.00 50.31 ATOM 1570 N GLY 94 16.128 -32.548 5.464 1.00 11.55 ATOM 1571 HN GLY 94 15.488 -32.377 6.189 1.00 38.39 ATOM 1572 CA GLY 94 16.664 -33.887 5.312 1.00 61.42 ATOM 1573 HA1 GLY 94 16.166 -34.543 6.011 1.00 38.39 ATOM 1574 HA2 GLY 94 17.720 -33.872 5.541 1.00 25.12 ATOM 1575 C GLY 94 16.473 -34.432 3.910 1.00 22.12 ATOM 1576 O GLY 94 17.318 -35.170 3.402 1.00 23.54 ATOM 1577 N LEU 95 15.360 -34.069 3.283 1.00 73.50 ATOM 1578 HN LEU 95 14.735 -33.446 3.719 1.00 38.39 ATOM 1579 CA LEU 95 15.059 -34.528 1.931 1.00 21.12 ATOM 1580 HA LEU 95 15.598 -35.449 1.741 1.00 51.51 ATOM 1581 CB LEU 95 13.563 -34.811 1.788 1.00 34.15 ATOM 1582 HB1 LEU 95 13.448 -35.598 1.054 1.00 38.39 ATOM 1583 HB2 LEU 95 13.075 -33.931 1.408 1.00 41.54 ATOM 1584 CG LEU 95 12.836 -35.242 3.063 1.00 24.03 ATOM 1585 HG LEU 95 12.938 -34.477 3.815 1.00 3.44 ATOM 1586 CD1 LEU 95 11.350 -35.419 2.797 1.00 54.31 ATOM 1587 HD11 LEU 95 10.799 -34.912 3.571 1.00 65.04 ATOM 1588 HD12 LEU 95 11.081 -36.468 2.796 1.00 72.01 ATOM 1589 HD13 LEU 95 11.080 -34.987 1.841 1.00 64.13 ATOM 1590 CD2 LEU 95 13.438 -36.528 3.611 1.00 4.33 ATOM 1591 HD21 LEU 95 12.821 -36.920 4.409 1.00 71.03 ATOM 1592 HD22 LEU 95 14.428 -36.330 3.992 1.00 62.44 ATOM 1593 HD23 LEU 95 13.502 -37.251 2.815 1.00 65.12 ATOM 1594 C LEU 95 15.494 -33.495 0.896 1.00 32.24 ATOM 1595 O LEU 95 15.165 -33.608 -0.284 1.00 22.23 ATOM 1596 N ASN 96 16.236 -32.490 1.348 1.00 45.54 ATOM 1597 HN ASN 96 16.493 -32.439 2.272 1.00 38.39 ATOM 1598 CA ASN 96 16.718 -31.437 0.460 1.00 1.03 ATOM 1599 HA ASN 96 17.319 -30.771 1.057 1.00 23.22 ATOM 1600 CB ASN 96 17.559 -32.038 -0.668 1.00 50.41 ATOM 1601 HB1 ASN 96 16.921 -32.402 -1.463 1.00 38.39 ATOM 1602 HB2 ASN 96 18.134 -32.866 -0.276 1.00 61.04 ATOM 1603 CG ASN 96 18.534 -31.037 -1.258 1.00 51.00 ATOM 1604 OD1 ASN 96 18.545 -30.802 -2.467 1.00 35.35 ATOM 1605 ND2 ASN 96 19.359 -30.442 -0.405 1.00 4.11 ATOM 1606 HD21 ASN 96 19.318 -30.668 0.550 1.00 23.21 ATOM 1607 HD22 ASN 96 19.990 -29.786 -0.770 1.00 74.13 ATOM 1608 C ASN 96 15.554 -30.644 -0.125 1.00 14.20 ATOM 1609 O ASN 96 15.494 -30.407 -1.332 1.00 41.33 ATOM 1610 N LEU 97 14.630 -30.236 0.738 1.00 0.42 ATOM 1611 HN LEU 97 14.736 -30.437 1.698 1.00 38.39 ATOM 1612 CA LEU 97 13.467 -29.468 0.308 1.00 54.12 ATOM 1613 HA LEU 97 13.347 -29.607 -0.758 1.00 42.01 ATOM 1614 CB LEU 97 12.206 -29.980 1.007 1.00 60.13 ATOM 1615 HB1 LEU 97 11.352 -29.500 0.557 1.00 38.39 ATOM 1616 HB2 LEU 97 12.249 -29.686 2.049 1.00 5.12 ATOM 1617 CG LEU 97 11.984 -31.492 0.967 1.00 71.42 ATOM 1618 HG LEU 97 12.695 -31.965 1.613 1.00 55.51 ATOM 1619 CD1 LEU 97 10.590 -31.841 1.465 1.00 11.54 ATOM 1620 HD11 LEU 97 10.434 -32.909 1.391 1.00 34.34 ATOM 1621 HD12 LEU 97 9.848 -31.330 0.868 1.00 42.43 ATOM 1622 HD13 LEU 97 10.491 -31.543 2.492 1.00 25.24 ATOM 1623 CD2 LEU 97 12.197 -32.026 -0.442 1.00 52.24 ATOM 1624 HD21 LEU 97 11.941 -33.077 -0.477 1.00 2.12 ATOM 1625 HD22 LEU 97 13.228 -31.910 -0.729 1.00 72.44 ATOM 1626 HD23 LEU 97 11.566 -31.483 -1.131 1.00 25.33 ATOM 1627 C LEU 97 13.656 -27.983 0.600 1.00 51.24 ATOM 1628 O LEU 97 14.381 -27.592 1.515 1.00 71.32 ATOM 1629 N PRO 98 12.987 -27.134 -0.195 1.00 3.53 ATOM 1630 CA PRO 98 13.064 -25.678 -0.039 1.00 54.13 ATOM 1631 HA PRO 98 14.091 -25.337 -0.053 1.00 11.43 ATOM 1632 CB PRO 98 12.340 -25.150 -1.281 1.00 30.23 ATOM 1633 HB1 PRO 98 13.062 -24.960 -2.060 1.00 38.39 ATOM 1634 HB2 PRO 98 11.804 -24.235 -1.057 1.00 72.22 ATOM 1635 CG PRO 98 11.410 -26.247 -1.672 1.00 4.40 ATOM 1636 HG1 PRO 98 11.228 -26.211 -2.736 1.00 38.39 ATOM 1637 HG2 PRO 98 10.485 -26.149 -1.131 1.00 0.42 ATOM 1638 CD PRO 98 12.105 -27.529 -1.305 1.00 50.13 ATOM 1639 HD1 PRO 98 12.679 -27.903 -2.140 1.00 38.39 ATOM 1640 HD2 PRO 98 11.390 -28.255 -0.982 1.00 32.21 ATOM 1641 C PRO 98 12.369 -25.193 1.229 1.00 70.04 ATOM 1642 O PRO 98 11.172 -25.412 1.416 1.00 32.54 ATOM 1643 N THR 99 13.127 -24.532 2.098 1.00 43.45 ATOM 1644 HN THR 99 14.079 -24.415 1.894 1.00 38.39 ATOM 1645 CA THR 99 12.585 -24.016 3.348 1.00 32.21 ATOM 1646 HA THR 99 12.063 -24.820 3.852 1.00 43.05 ATOM 1647 CB THR 99 13.703 -23.517 4.282 1.00 1.50 ATOM 1648 HB THR 99 14.294 -24.366 4.597 1.00 0.04 ATOM 1649 OG1 THR 99 13.134 -22.888 5.436 1.00 54.45 ATOM 1650 HG1 THR 99 12.866 -23.558 6.069 1.00 4.15 ATOM 1651 CG2 THR 99 14.613 -22.534 3.560 1.00 72.23 ATOM 1652 HG21 THR 99 15.202 -23.053 2.822 1.00 14.30 ATOM 1653 HG22 THR 99 15.276 -22.076 4.279 1.00 61.13 ATOM 1654 HG23 THR 99 14.030 -21.761 3.079 1.00 5.23 ATOM 1655 C THR 99 11.604 -22.877 3.094 1.00 71.31 ATOM 1656 O THR 99 10.871 -22.465 3.992 1.00 15.14 ATOM 1657 N SER 100 11.595 -22.373 1.864 1.00 23.30 ATOM 1658 HN SER 100 12.235 -22.688 1.195 1.00 38.39 ATOM 1659 CA SER 100 10.706 -21.279 1.493 1.00 71.15 ATOM 1660 HA SER 100 10.901 -20.446 2.155 1.00 20.44 ATOM 1661 CB SER 100 10.979 -20.838 0.053 1.00 1.13 ATOM 1662 HB1 SER 100 11.178 -21.706 -0.560 1.00 38.39 ATOM 1663 HB2 SER 100 11.836 -20.183 0.034 1.00 1.01 ATOM 1664 OG SER 100 9.866 -20.148 -0.489 1.00 30.43 ATOM 1665 HG SER 100 9.490 -19.542 0.157 1.00 14.43 ATOM 1666 C SER 100 9.245 -21.692 1.641 1.00 32.41 ATOM 1667 O SER 100 8.360 -20.847 1.774 1.00 53.41 ATOM 1668 N ILE 101 9.001 -22.998 1.617 1.00 33.34 ATOM 1669 HN ILE 101 9.737 -23.626 1.480 1.00 38.39 ATOM 1670 CA ILE 101 7.648 -23.525 1.750 1.00 11.54 ATOM 1671 HA ILE 101 7.103 -23.255 0.852 1.00 30.42 ATOM 1672 CB ILE 101 7.650 -25.060 1.868 1.00 23.13 ATOM 1673 HB ILE 101 8.229 -25.321 2.735 1.00 3.25 ATOM 1674 CG1 ILE 101 8.303 -25.687 0.634 1.00 33.15 ATOM 1675 HG11 ILE 101 9.154 -25.115 0.317 1.00 38.39 ATOM 1676 HG12 ILE 101 7.589 -25.707 -0.179 1.00 30.03 ATOM 1677 CG2 ILE 101 6.232 -25.580 2.046 1.00 55.12 ATOM 1678 HG21 ILE 101 5.633 -25.300 1.191 1.00 21.13 ATOM 1679 HG22 ILE 101 5.792 -25.172 2.934 1.00 13.11 ATOM 1680 HG23 ILE 101 6.251 -26.658 2.126 1.00 72.11 ATOM 1681 CD1 ILE 101 8.770 -27.109 0.855 1.00 52.13 ATOM 1682 HD11 ILE 101 9.304 -27.451 -0.009 1.00 24.03 ATOM 1683 HD12 ILE 101 7.914 -27.746 1.023 1.00 52.00 ATOM 1684 HD13 ILE 101 9.421 -27.148 1.717 1.00 54.24 ATOM 1685 C ILE 101 6.945 -22.933 2.968 1.00 63.50 ATOM 1686 O ILE 101 7.355 -23.160 4.107 1.00 63.41 ATOM 1687 N THR 102 5.882 -22.175 2.721 1.00 41.44 ATOM 1688 HN THR 102 5.598 -22.028 1.787 1.00 38.39 ATOM 1689 CA THR 102 5.121 -21.551 3.796 1.00 62.11 ATOM 1690 HA THR 102 5.778 -20.871 4.322 1.00 30.44 ATOM 1691 CB THR 102 3.931 -20.742 3.246 1.00 4.11 ATOM 1692 HB THR 102 3.289 -21.396 2.677 1.00 13.44 ATOM 1693 OG1 THR 102 4.403 -19.705 2.379 1.00 63.04 ATOM 1694 HG1 THR 102 3.710 -19.458 1.761 1.00 41.10 ATOM 1695 CG2 THR 102 3.122 -20.132 4.380 1.00 12.23 ATOM 1696 HG21 THR 102 2.465 -19.375 3.977 1.00 73.22 ATOM 1697 HG22 THR 102 3.782 -19.678 5.108 1.00 12.11 ATOM 1698 HG23 THR 102 2.528 -20.896 4.858 1.00 5.22 ATOM 1699 C THR 102 4.601 -22.595 4.778 1.00 50.41 ATOM 1700 O THR 102 5.111 -22.722 5.891 1.00 12.21 ATOM 1701 N SER 103 3.584 -23.340 4.358 1.00 14.04 ATOM 1702 HN SER 103 3.251 -23.246 3.438 1.00 38.39 ATOM 1703 CA SER 103 2.992 -24.371 5.203 1.00 21.10 ATOM 1704 HA SER 103 3.051 -24.051 6.237 1.00 13.24 ATOM 1705 CB SER 103 1.519 -24.572 4.843 1.00 13.33 ATOM 1706 HB1 SER 103 0.947 -23.752 5.251 1.00 38.39 ATOM 1707 HB2 SER 103 1.146 -25.499 5.258 1.00 54.34 ATOM 1708 OG SER 103 1.334 -24.586 3.438 1.00 2.04 ATOM 1709 HG SER 103 0.409 -24.749 3.238 1.00 15.41 ATOM 1710 C SER 103 3.746 -25.690 5.060 1.00 44.54 ATOM 1711 O SER 103 3.150 -26.733 4.797 1.00 72.14 ATOM 1712 N ALA 104 5.063 -25.633 5.234 1.00 13.15 ATOM 1713 HN ALA 104 5.485 -24.787 5.487 1.00 38.39 ATOM 1714 CA ALA 104 5.899 -26.822 5.127 1.00 44.52 ATOM 1715 HA ALA 104 5.598 -27.376 4.245 1.00 22.21 ATOM 1716 CB ALA 104 7.358 -26.426 4.950 1.00 30.03 ATOM 1717 HB1 ALA 104 7.886 -26.482 5.894 1.00 71.33 ATOM 1718 HB2 ALA 104 7.416 -25.422 4.584 1.00 14.50 ATOM 1719 HB3 ALA 104 7.826 -27.092 4.241 1.00 24.11 ATOM 1720 C ALA 104 5.737 -27.720 6.348 1.00 0.34 ATOM 1721 O ALA 104 5.493 -28.919 6.221 1.00 65.24 ATOM 1722 N ALA 105 5.874 -27.131 7.532 1.00 22.31 ATOM 1723 HN ALA 105 6.064 -26.162 7.571 1.00 38.39 ATOM 1724 CA ALA 105 5.741 -27.879 8.777 1.00 43.54 ATOM 1725 HA ALA 105 6.353 -28.771 8.708 1.00 43.54 ATOM 1726 CB ALA 105 6.255 -27.052 9.946 1.00 11.30 ATOM 1727 HB1 ALA 105 5.740 -26.102 9.959 1.00 74.40 ATOM 1728 HB2 ALA 105 7.312 -26.878 9.824 1.00 44.42 ATOM 1729 HB3 ALA 105 6.080 -27.558 10.871 1.00 41.24 ATOM 1730 C ALA 105 4.294 -28.294 9.015 1.00 33.24 ATOM 1731 O ALA 105 4.027 -29.333 9.620 1.00 63.33 ATOM 1732 N PHE 106 3.362 -27.476 8.538 1.00 33.11 ATOM 1733 HN PHE 106 3.627 -26.652 8.068 1.00 38.39 ATOM 1734 CA PHE 106 1.940 -27.758 8.701 1.00 23.34 ATOM 1735 HA PHE 106 1.781 -28.098 9.719 1.00 52.11 ATOM 1736 CB PHE 106 1.116 -26.492 8.459 1.00 21.12 ATOM 1737 HB1 PHE 106 0.895 -26.391 7.401 1.00 38.39 ATOM 1738 HB2 PHE 106 1.698 -25.632 8.770 1.00 64.11 ATOM 1739 CG PHE 106 -0.174 -26.461 9.227 1.00 12.44 ATOM 1740 CD1 PHE 106 -1.390 -26.555 8.570 1.00 61.15 ATOM 1741 HD1 PHE 106 -1.409 -26.654 7.493 1.00 41.31 ATOM 1742 CD2 PHE 106 -0.171 -26.336 10.607 1.00 13.04 ATOM 1743 HD2 PHE 106 0.770 -26.262 11.135 1.00 4.00 ATOM 1744 CE1 PHE 106 -2.579 -26.527 9.273 1.00 12.14 ATOM 1745 HE1 PHE 106 -3.520 -26.601 8.748 1.00 43.11 ATOM 1746 CE2 PHE 106 -1.357 -26.308 11.317 1.00 52.45 ATOM 1747 HE2 PHE 106 -1.341 -26.210 12.392 1.00 44.52 ATOM 1748 CZ PHE 106 -2.563 -26.402 10.649 1.00 44.13 ATOM 1749 HZ PHE 106 -3.491 -26.380 11.201 1.00 74.44 ATOM 1750 C PHE 106 1.492 -28.861 7.747 1.00 34.00 ATOM 1751 O PHE 106 0.858 -29.834 8.157 1.00 20.23 ATOM 1752 N THR 107 1.824 -28.702 6.470 1.00 42.33 ATOM 1753 HN THR 107 2.335 -27.902 6.199 1.00 38.39 ATOM 1754 CA THR 107 1.455 -29.681 5.456 1.00 71.32 ATOM 1755 HA THR 107 0.382 -29.828 5.500 1.00 42.12 ATOM 1756 CB THR 107 1.812 -29.188 4.041 1.00 2.51 ATOM 1757 HB THR 107 2.873 -28.998 3.999 1.00 42.13 ATOM 1758 OG1 THR 107 1.109 -27.974 3.754 1.00 53.14 ATOM 1759 HG1 THR 107 1.588 -27.473 3.089 1.00 52.14 ATOM 1760 CG2 THR 107 1.467 -30.239 2.998 1.00 71.23 ATOM 1761 HG21 THR 107 0.532 -30.726 3.246 1.00 43.15 ATOM 1762 HG22 THR 107 2.257 -30.971 2.953 1.00 54.20 ATOM 1763 HG23 THR 107 1.373 -29.762 2.033 1.00 63.12 ATOM 1764 C THR 107 2.145 -31.017 5.705 1.00 63.31 ATOM 1765 O THR 107 1.525 -32.077 5.603 1.00 2.22 ATOM 1766 N LEU 108 3.432 -30.961 6.032 1.00 35.21 ATOM 1767 HN LEU 108 3.882 -30.084 6.082 1.00 38.39 ATOM 1768 CA LEU 108 4.207 -32.168 6.297 1.00 71.21 ATOM 1769 HA LEU 108 4.286 -32.715 5.372 1.00 54.03 ATOM 1770 CB LEU 108 5.603 -31.800 6.802 1.00 21.44 ATOM 1771 HB1 LEU 108 5.966 -32.610 7.413 1.00 38.39 ATOM 1772 HB2 LEU 108 5.514 -30.929 7.435 1.00 50.34 ATOM 1773 CG LEU 108 6.656 -31.529 5.728 1.00 42.15 ATOM 1774 HG LEU 108 6.272 -30.812 5.033 1.00 75.44 ATOM 1775 CD1 LEU 108 7.916 -30.948 6.350 1.00 44.14 ATOM 1776 HD11 LEU 108 8.048 -29.946 5.983 1.00 64.12 ATOM 1777 HD12 LEU 108 8.783 -31.541 6.097 1.00 23.33 ATOM 1778 HD13 LEU 108 7.825 -30.908 7.422 1.00 53.52 ATOM 1779 CD2 LEU 108 6.977 -32.804 4.961 1.00 54.22 ATOM 1780 HD21 LEU 108 7.759 -32.609 4.240 1.00 3.21 ATOM 1781 HD22 LEU 108 6.097 -33.148 4.440 1.00 72.03 ATOM 1782 HD23 LEU 108 7.308 -33.567 5.649 1.00 74.30 ATOM 1783 C LEU 108 3.502 -33.056 7.317 1.00 14.45 ATOM 1784 O LEU 108 3.323 -34.253 7.095 1.00 33.10 ATOM 1785 N ARG 109 3.101 -32.459 8.436 1.00 63.52 ATOM 1786 HN ARG 109 3.277 -31.495 8.559 1.00 38.39 ATOM 1787 CA ARG 109 2.414 -33.196 9.490 1.00 3.42 ATOM 1788 HA ARG 109 3.094 -33.930 9.887 1.00 62.13 ATOM 1789 CB ARG 109 1.991 -32.246 10.612 1.00 4.33 ATOM 1790 HB1 ARG 109 1.412 -31.443 10.177 1.00 38.39 ATOM 1791 HB2 ARG 109 2.879 -31.833 11.070 1.00 25.34 ATOM 1792 CG ARG 109 1.161 -32.914 11.695 1.00 33.25 ATOM 1793 HG1 ARG 109 1.779 -33.633 12.203 1.00 38.39 ATOM 1794 HG2 ARG 109 0.322 -33.416 11.251 1.00 24.30 ATOM 1795 CD ARG 109 0.646 -31.902 12.707 1.00 75.12 ATOM 1796 HD1 ARG 109 1.487 -31.390 13.148 1.00 38.39 ATOM 1797 HD2 ARG 109 0.117 -32.424 13.474 1.00 44.42 ATOM 1798 NE ARG 109 -0.226 -30.906 12.089 1.00 22.01 ATOM 1799 HE ARG 109 0.127 -29.994 11.995 1.00 62.33 ATOM 1800 CZ ARG 109 -1.453 -31.171 11.655 1.00 62.22 ATOM 1801 NH1 ARG 109 -1.951 -32.395 11.771 1.00 43.55 ATOM 1802 HH11 ARG 109 -1.438 -33.135 12.186 1.00 22.52 ATOM 1803 HH12 ARG 109 -2.875 -32.583 11.430 1.00 74.32 ATOM 1804 NH2 ARG 109 -2.185 -30.211 11.104 1.00 62.32 ATOM 1805 HH21 ARG 109 -1.815 -29.284 11.014 1.00 1.21 ATOM 1806 HH22 ARG 109 -3.111 -30.409 10.776 1.00 2.22 ATOM 1807 C ARG 109 1.192 -33.923 8.938 1.00 62.23 ATOM 1808 O ARG 109 0.878 -35.039 9.355 1.00 42.50 ATOM 1809 N THR 110 0.505 -33.284 7.996 1.00 33.21 ATOM 1810 HN THR 110 0.794 -32.389 7.702 1.00 38.39 ATOM 1811 CA THR 110 -0.683 -33.869 7.388 1.00 55.15 ATOM 1812 HA THR 110 -1.302 -34.286 8.174 1.00 23.12 ATOM 1813 CB THR 110 -1.514 -32.806 6.644 1.00 74.44 ATOM 1814 HB THR 110 -0.890 -32.334 5.900 1.00 4.25 ATOM 1815 OG1 THR 110 -1.974 -31.811 7.565 1.00 74.14 ATOM 1816 HG1 THR 110 -1.270 -31.181 7.738 1.00 43.35 ATOM 1817 CG2 THR 110 -2.704 -33.444 5.942 1.00 51.32 ATOM 1818 HG21 THR 110 -3.410 -32.672 5.672 1.00 12.01 ATOM 1819 HG22 THR 110 -3.189 -34.155 6.599 1.00 21.21 ATOM 1820 HG23 THR 110 -2.373 -33.947 5.045 1.00 55.11 ATOM 1821 C THR 110 -0.312 -34.981 6.413 1.00 3.31 ATOM 1822 O THR 110 -0.745 -36.122 6.566 1.00 20.33 ATOM 1823 N GLN 111 0.493 -34.639 5.412 1.00 25.33 ATOM 1824 HN GLN 111 0.814 -33.710 5.358 1.00 38.39 ATOM 1825 CA GLN 111 0.923 -35.610 4.413 1.00 61.30 ATOM 1826 HA GLN 111 0.059 -35.948 3.879 1.00 71.11 ATOM 1827 CB GLN 111 1.913 -34.968 3.440 1.00 62.12 ATOM 1828 HB1 GLN 111 2.150 -35.678 2.660 1.00 38.39 ATOM 1829 HB2 GLN 111 2.820 -34.714 3.973 1.00 61.22 ATOM 1830 CG GLN 111 1.386 -33.703 2.782 1.00 2.23 ATOM 1831 HG1 GLN 111 1.943 -33.525 1.874 1.00 38.39 ATOM 1832 HG2 GLN 111 1.530 -32.887 3.453 1.00 1.32 ATOM 1833 CD GLN 111 -0.087 -33.795 2.437 1.00 11.32 ATOM 1834 OE1 GLN 111 -0.876 -32.920 2.796 1.00 52.03 ATOM 1835 NE2 GLN 111 -0.466 -34.857 1.737 1.00 33.31 ATOM 1836 HE21 GLN 111 0.198 -35.524 1.483 1.00 23.42 ATOM 1837 HE22 GLN 111 -1.414 -34.930 1.499 1.00 43.50 ATOM 1838 C GLN 111 1.560 -36.828 5.075 1.00 11.42 ATOM 1839 O GLN 111 1.465 -37.944 4.566 1.00 65.54 ATOM 1840 N TYR 112 2.208 -36.604 6.213 1.00 63.32 ATOM 1841 HN TYR 112 2.278 -35.689 6.567 1.00 38.39 ATOM 1842 CA TYR 112 2.863 -37.683 6.944 1.00 44.35 ATOM 1843 HA TYR 112 3.383 -38.314 6.233 1.00 44.02 ATOM 1844 CB TYR 112 3.887 -37.112 7.926 1.00 24.44 ATOM 1845 HB1 TYR 112 3.404 -36.361 8.537 1.00 38.39 ATOM 1846 HB2 TYR 112 4.685 -36.643 7.365 1.00 34.01 ATOM 1847 CG TYR 112 4.492 -38.153 8.842 1.00 45.42 ATOM 1848 CD1 TYR 112 3.866 -38.510 10.029 1.00 24.24 ATOM 1849 HD1 TYR 112 2.936 -38.033 10.301 1.00 2.12 ATOM 1850 CD2 TYR 112 5.690 -38.779 8.518 1.00 2.44 ATOM 1851 HD2 TYR 112 6.193 -38.518 7.609 1.00 55.21 ATOM 1852 CE1 TYR 112 4.416 -39.459 10.869 1.00 22.50 ATOM 1853 HE1 TYR 112 3.915 -39.733 11.778 1.00 13.43 ATOM 1854 CE2 TYR 112 6.247 -39.730 9.351 1.00 35.13 ATOM 1855 HE2 TYR 112 7.173 -40.201 9.080 1.00 44.30 ATOM 1856 CZ TYR 112 5.606 -40.067 10.526 1.00 41.34 ATOM 1857 OH TYR 112 6.156 -41.014 11.359 1.00 43.24 ATOM 1858 HH TYR 112 6.963 -40.676 11.756 1.00 54.45 ATOM 1859 C TYR 112 1.841 -38.533 7.693 1.00 45.45 ATOM 1860 O TYR 112 1.760 -39.744 7.493 1.00 71.11 ATOM 1861 N MET 113 1.063 -37.887 8.555 1.00 23.11 ATOM 1862 HN MET 113 1.177 -36.913 8.671 1.00 38.39 ATOM 1863 CA MET 113 0.045 -38.582 9.333 1.00 33.53 ATOM 1864 HA MET 113 0.539 -39.325 9.935 1.00 4.04 ATOM 1865 CB MET 113 -0.681 -37.601 10.256 1.00 71.22 ATOM 1866 HB1 MET 113 -1.449 -37.083 9.694 1.00 38.39 ATOM 1867 HB2 MET 113 0.035 -36.875 10.615 1.00 61.13 ATOM 1868 CG MET 113 -1.302 -38.261 11.477 1.00 42.54 ATOM 1869 HG1 MET 113 -0.598 -38.231 12.287 1.00 38.39 ATOM 1870 HG2 MET 113 -1.539 -39.292 11.250 1.00 31.13 ATOM 1871 SD MET 113 -2.819 -37.445 12.010 1.00 31.42 ATOM 1872 CE MET 113 -2.247 -35.759 12.205 1.00 71.23 ATOM 1873 HE1 MET 113 -1.389 -35.744 12.860 1.00 71.14 ATOM 1874 HE2 MET 113 -3.037 -35.159 12.633 1.00 15.23 ATOM 1875 HE3 MET 113 -1.972 -35.357 11.241 1.00 14.12 ATOM 1876 C MET 113 -0.960 -39.276 8.418 1.00 5.31 ATOM 1877 O MET 113 -1.659 -40.200 8.833 1.00 25.34 ATOM 1878 N LYS 114 -1.027 -38.823 7.171 1.00 62.44 ATOM 1879 HN LYS 114 -0.507 -38.036 6.905 1.00 38.39 ATOM 1880 CA LYS 114 -1.945 -39.400 6.195 1.00 24.25 ATOM 1881 HA LYS 114 -2.949 -39.333 6.598 1.00 44.54 ATOM 1882 CB LYS 114 -1.873 -38.627 4.877 1.00 42.40 ATOM 1883 HB1 LYS 114 -2.003 -39.319 4.054 1.00 38.39 ATOM 1884 HB2 LYS 114 -0.903 -38.166 4.786 1.00 31.41 ATOM 1885 CG LYS 114 -2.926 -37.540 4.751 1.00 12.44 ATOM 1886 HG1 LYS 114 -2.776 -36.812 5.530 1.00 38.39 ATOM 1887 HG2 LYS 114 -3.905 -37.985 4.865 1.00 73.24 ATOM 1888 CD LYS 114 -2.851 -36.843 3.403 1.00 70.31 ATOM 1889 HD1 LYS 114 -1.851 -36.475 3.244 1.00 38.39 ATOM 1890 HD2 LYS 114 -3.541 -36.012 3.407 1.00 20.31 ATOM 1891 CE LYS 114 -3.218 -37.786 2.267 1.00 34.35 ATOM 1892 HE1 LYS 114 -3.914 -38.537 2.622 1.00 38.39 ATOM 1893 HE2 LYS 114 -2.323 -38.267 1.918 1.00 44.22 ATOM 1894 NZ LYS 114 -3.845 -37.063 1.126 1.00 0.05 ATOM 1895 HZ1 LYS 114 -3.189 -36.349 0.745 1.00 72.12 ATOM 1896 HZ2 LYS 114 -4.718 -36.586 1.434 1.00 43.14 ATOM 1897 HZ3 LYS 114 -4.083 -37.735 0.369 1.00 23.22 ATOM 1898 C LYS 114 -1.625 -40.872 5.952 1.00 53.32 ATOM 1899 O LYS 114 -2.504 -41.730 6.035 1.00 13.34 ATOM 1900 N TYR 115 -0.363 -41.156 5.652 1.00 70.43 ATOM 1901 HN TYR 115 0.304 -40.431 5.611 1.00 38.39 ATOM 1902 CA TYR 115 0.072 -42.524 5.395 1.00 33.31 ATOM 1903 HA TYR 115 -0.797 -43.152 5.240 1.00 31.04 ATOM 1904 CB TYR 115 0.932 -42.580 4.131 1.00 12.25 ATOM 1905 HB1 TYR 115 1.158 -43.602 3.887 1.00 38.39 ATOM 1906 HB2 TYR 115 1.866 -42.062 4.323 1.00 71.23 ATOM 1907 CG TYR 115 0.288 -41.923 2.931 1.00 0.25 ATOM 1908 CD1 TYR 115 -0.381 -42.678 1.976 1.00 23.23 ATOM 1909 HD1 TYR 115 -0.442 -43.736 2.094 1.00 34.13 ATOM 1910 CD2 TYR 115 0.348 -40.546 2.754 1.00 52.04 ATOM 1911 HD2 TYR 115 0.863 -39.946 3.483 1.00 42.33 ATOM 1912 CE1 TYR 115 -0.970 -42.082 0.878 1.00 5.01 ATOM 1913 HE1 TYR 115 -1.486 -42.687 0.147 1.00 75.40 ATOM 1914 CE2 TYR 115 -0.239 -39.941 1.659 1.00 14.01 ATOM 1915 HE2 TYR 115 -0.181 -38.869 1.539 1.00 73.21 ATOM 1916 CZ TYR 115 -0.896 -40.713 0.724 1.00 34.20 ATOM 1917 OH TYR 115 -1.483 -40.115 -0.368 1.00 20.42 ATOM 1918 HH TYR 115 -2.440 -40.117 -0.267 1.00 30.32 ATOM 1919 C TYR 115 0.855 -43.079 6.581 1.00 15.35 ATOM 1920 O TYR 115 0.539 -44.149 7.104 1.00 52.24 ATOM 1921 N LEU 116 1.877 -42.343 7.003 1.00 41.13 ATOM 1922 HN LEU 116 2.073 -41.485 6.555 1.00 38.39 ATOM 1923 CA LEU 116 2.707 -42.759 8.128 1.00 14.24 ATOM 1924 HA LEU 116 2.795 -43.841 8.104 1.00 24.15 ATOM 1925 CB LEU 116 4.110 -42.164 8.000 1.00 22.31 ATOM 1926 HB1 LEU 116 4.733 -42.591 8.776 1.00 38.39 ATOM 1927 HB2 LEU 116 4.033 -41.096 8.179 1.00 32.34 ATOM 1928 CG LEU 116 4.805 -42.368 6.653 1.00 20.43 ATOM 1929 HG LEU 116 4.131 -42.092 5.855 1.00 33.21 ATOM 1930 CD1 LEU 116 6.034 -41.479 6.547 1.00 61.13 ATOM 1931 HD11 LEU 116 6.657 -41.602 7.419 1.00 51.01 ATOM 1932 HD12 LEU 116 5.721 -40.453 6.466 1.00 12.14 ATOM 1933 HD13 LEU 116 6.601 -41.741 5.663 1.00 34.32 ATOM 1934 CD2 LEU 116 5.184 -43.830 6.465 1.00 70.12 ATOM 1935 HD21 LEU 116 4.293 -44.433 6.507 1.00 71.05 ATOM 1936 HD22 LEU 116 5.864 -44.137 7.248 1.00 22.23 ATOM 1937 HD23 LEU 116 5.659 -43.963 5.503 1.00 54.22 ATOM 1938 C LEU 116 2.081 -42.333 9.453 1.00 53.14 ATOM 1939 O LEU 116 1.830 -41.149 9.680 1.00 23.12 ATOM 1940 N TYR 117 1.833 -43.305 10.323 1.00 14.12 ATOM 1941 HN TYR 117 2.123 -44.224 10.111 1.00 38.39 ATOM 1942 CA TYR 117 1.236 -43.031 11.625 1.00 11.11 ATOM 1943 HA TYR 117 1.925 -42.416 12.186 1.00 13.31 ATOM 1944 CB TYR 117 -0.082 -42.272 11.456 1.00 24.42 ATOM 1945 HB1 TYR 117 -0.550 -42.517 10.517 1.00 38.39 ATOM 1946 HB2 TYR 117 0.145 -41.214 11.454 1.00 31.44 ATOM 1947 CG TYR 117 -1.061 -42.501 12.585 1.00 1.24 ATOM 1948 CD1 TYR 117 -2.349 -42.955 12.333 1.00 73.10 ATOM 1949 HD1 TYR 117 -2.657 -43.140 11.315 1.00 63.10 ATOM 1950 CD2 TYR 117 -0.697 -42.263 13.905 1.00 21.22 ATOM 1951 HD2 TYR 117 0.301 -41.909 14.123 1.00 13.41 ATOM 1952 CE1 TYR 117 -3.247 -43.164 13.362 1.00 73.44 ATOM 1953 HE1 TYR 117 -4.244 -43.518 13.145 1.00 62.30 ATOM 1954 CE2 TYR 117 -1.588 -42.471 14.940 1.00 21.14 ATOM 1955 HE2 TYR 117 -1.286 -42.280 15.959 1.00 2.50 ATOM 1956 CZ TYR 117 -2.862 -42.921 14.663 1.00 21.24 ATOM 1957 OH TYR 117 -3.753 -43.130 15.691 1.00 11.20 ATOM 1958 HH TYR 117 -3.871 -44.074 15.835 1.00 24.52 ATOM 1959 C TYR 117 0.996 -44.325 12.397 1.00 14.43 ATOM 1960 O TYR 117 1.495 -44.518 13.506 1.00 13.00 ATOM 1961 N PRO 118 0.212 -45.233 11.798 1.00 62.43 ATOM 1962 CA PRO 118 -0.112 -46.526 12.409 1.00 12.53 ATOM 1963 HA PRO 118 -0.519 -46.404 13.403 1.00 24.33 ATOM 1964 CB PRO 118 -1.187 -47.097 11.481 1.00 21.43 ATOM 1965 HB1 PRO 118 -2.164 -46.839 11.862 1.00 38.39 ATOM 1966 HB2 PRO 118 -1.098 -48.173 11.413 1.00 60.01 ATOM 1967 CG PRO 118 -0.936 -46.446 10.165 1.00 33.10 ATOM 1968 HG1 PRO 118 -1.857 -46.381 9.606 1.00 38.39 ATOM 1969 HG2 PRO 118 -0.199 -47.009 9.612 1.00 13.42 ATOM 1970 CD PRO 118 -0.417 -45.070 10.476 1.00 4.23 ATOM 1971 HD1 PRO 118 -1.239 -44.398 10.504 1.00 38.39 ATOM 1972 HD2 PRO 118 0.280 -44.783 9.719 1.00 34.22 ATOM 1973 C PRO 118 1.093 -47.458 12.467 1.00 33.34 ATOM 1974 O PRO 118 1.178 -48.324 13.339 1.00 64.04 ATOM 1975 N TYR 119 2.021 -47.276 11.535 1.00 24.03 ATOM 1976 HN TYR 119 1.901 -46.574 10.855 1.00 38.39 ATOM 1977 CA TYR 119 3.221 -48.103 11.480 1.00 50.04 ATOM 1978 HA TYR 119 2.919 -49.128 11.576 1.00 21.41 ATOM 1979 CB TYR 119 3.949 -47.893 10.151 1.00 71.53 ATOM 1980 HB1 TYR 119 4.497 -46.957 10.179 1.00 38.39 ATOM 1981 HB2 TYR 119 3.215 -47.843 9.357 1.00 53.43 ATOM 1982 CG TYR 119 4.909 -49.009 9.804 1.00 73.14 ATOM 1983 CD1 TYR 119 6.198 -48.732 9.367 1.00 4.43 ATOM 1984 HD1 TYR 119 6.515 -47.702 9.277 1.00 31.53 ATOM 1985 CD2 TYR 119 4.526 -50.340 9.911 1.00 72.31 ATOM 1986 HD2 TYR 119 3.543 -50.584 10.252 1.00 0.24 ATOM 1987 CE1 TYR 119 7.079 -49.747 9.048 1.00 33.43 ATOM 1988 HE1 TYR 119 8.074 -49.516 8.715 1.00 24.00 ATOM 1989 CE2 TYR 119 5.400 -51.363 9.596 1.00 53.55 ATOM 1990 HE2 TYR 119 5.083 -52.391 9.688 1.00 75.30 ATOM 1991 CZ TYR 119 6.675 -51.061 9.165 1.00 72.14 ATOM 1992 OH TYR 119 7.548 -52.077 8.848 1.00 11.41 ATOM 1993 HH TYR 119 8.221 -52.155 9.531 1.00 61.43 ATOM 1994 C TYR 119 4.157 -47.784 12.641 1.00 2.31 ATOM 1995 O TYR 119 4.762 -48.680 13.228 1.00 5.33 ATOM 1996 N GLU 120 4.270 -46.500 12.966 1.00 15.43 ATOM 1997 HN GLU 120 3.767 -45.822 12.456 1.00 38.39 ATOM 1998 CA GLU 120 5.132 -46.061 14.057 1.00 31.24 ATOM 1999 HA GLU 120 6.098 -46.537 13.941 1.00 53.12 ATOM 2000 CB GLU 120 5.326 -44.544 14.006 1.00 62.44 ATOM 2001 HB1 GLU 120 4.362 -44.060 14.086 1.00 38.39 ATOM 2002 HB2 GLU 120 5.758 -44.289 13.049 1.00 73.41 ATOM 2003 CG GLU 120 6.248 -44.011 15.090 1.00 72.53 ATOM 2004 HG1 GLU 120 6.665 -43.073 14.753 1.00 38.39 ATOM 2005 HG2 GLU 120 7.052 -44.715 15.260 1.00 43.51 ATOM 2006 CD GLU 120 5.527 -43.769 16.401 1.00 33.34 ATOM 2007 OE1 GLU 120 6.105 -44.085 17.463 1.00 52.04 ATOM 2008 OE2 GLU 120 4.385 -43.265 16.367 1.00 10.12 ATOM 2009 C GLU 120 4.548 -46.464 15.408 1.00 34.33 ATOM 2010 O GLU 120 5.281 -46.800 16.339 1.00 44.33 ATOM 2011 N CYS 121 3.223 -46.428 15.508 1.00 65.13 ATOM 2012 HN CYS 121 2.681 -46.148 14.734 1.00 38.39 ATOM 2013 CA CYS 121 2.540 -46.788 16.745 1.00 75.12 ATOM 2014 HA CYS 121 3.113 -46.397 17.579 1.00 15.40 ATOM 2015 CB CYS 121 1.142 -46.168 16.778 1.00 31.12 ATOM 2016 HB1 CYS 121 0.534 -46.606 15.998 1.00 38.39 ATOM 2017 HB2 CYS 121 1.227 -45.106 16.603 1.00 73.54 ATOM 2018 SG CYS 121 0.273 -46.392 18.348 1.00 54.52 ATOM 2019 HG CYS 121 0.583 -45.373 19.136 1.00 2.42 ATOM 2020 C CYS 121 2.441 -48.303 16.890 1.00 32.15 ATOM 2021 O CYS 121 2.409 -48.828 18.003 1.00 64.01 ATOM 2022 N GLU 122 2.391 -48.999 15.759 1.00 75.20 ATOM 2023 HN GLU 122 2.415 -48.532 14.892 1.00 38.39 ATOM 2024 CA GLU 122 2.292 -50.454 15.762 1.00 65.13 ATOM 2025 HA GLU 122 1.632 -50.734 16.571 1.00 31.34 ATOM 2026 CB GLU 122 1.711 -50.951 14.436 1.00 1.24 ATOM 2027 HB1 GLU 122 2.399 -50.727 13.632 1.00 38.39 ATOM 2028 HB2 GLU 122 0.780 -50.437 14.258 1.00 3.51 ATOM 2029 CG GLU 122 1.418 -52.442 14.421 1.00 44.42 ATOM 2030 HG1 GLU 122 2.342 -52.980 14.266 1.00 38.39 ATOM 2031 HG2 GLU 122 0.739 -52.650 13.613 1.00 33.41 ATOM 2032 CD GLU 122 0.779 -52.924 15.708 1.00 21.14 ATOM 2033 OE1 GLU 122 -0.399 -52.586 15.948 1.00 72.00 ATOM 2034 OE2 GLU 122 1.456 -53.639 16.476 1.00 2.02 ATOM 2035 C GLU 122 3.658 -51.091 16.001 1.00 4.00 ATOM 2036 O GLU 122 3.805 -51.976 16.844 1.00 12.14 ATOM 2037 N LYS 123 4.657 -50.635 15.252 1.00 13.31 ATOM 2038 HN LYS 123 4.483 -49.918 14.596 1.00 38.39 ATOM 2039 CA LYS 123 6.012 -51.158 15.381 1.00 14.43 ATOM 2040 HA LYS 123 5.951 -52.220 15.575 1.00 34.23 ATOM 2041 CB LYS 123 6.796 -50.924 14.088 1.00 31.11 ATOM 2042 HB1 LYS 123 7.854 -51.076 14.276 1.00 38.39 ATOM 2043 HB2 LYS 123 6.652 -49.907 13.770 1.00 71.41 ATOM 2044 CG LYS 123 6.384 -51.845 12.952 1.00 22.05 ATOM 2045 HG1 LYS 123 6.830 -51.483 12.036 1.00 38.39 ATOM 2046 HG2 LYS 123 5.305 -51.821 12.857 1.00 33.45 ATOM 2047 CD LYS 123 6.851 -53.271 13.194 1.00 54.11 ATOM 2048 HD1 LYS 123 6.880 -53.488 14.252 1.00 38.39 ATOM 2049 HD2 LYS 123 7.844 -53.379 12.784 1.00 24.10 ATOM 2050 CE LYS 123 5.932 -54.279 12.521 1.00 70.30 ATOM 2051 HE1 LYS 123 5.511 -53.846 11.621 1.00 38.39 ATOM 2052 HE2 LYS 123 5.134 -54.529 13.203 1.00 22.41 ATOM 2053 NZ LYS 123 6.655 -55.528 12.151 1.00 13.33 ATOM 2054 HZ1 LYS 123 7.430 -55.315 11.488 1.00 25.11 ATOM 2055 HZ2 LYS 123 6.001 -56.194 11.694 1.00 34.25 ATOM 2056 HZ3 LYS 123 7.052 -55.982 13.000 1.00 42.34 ATOM 2057 C LYS 123 6.737 -50.505 16.553 1.00 4.53 ATOM 2058 O LYS 123 7.550 -51.141 17.225 1.00 51.35 ATOM 2059 N ARG 124 6.438 -49.232 16.794 1.00 33.43 ATOM 2060 HN ARG 124 5.801 -48.757 16.219 1.00 38.39 ATOM 2061 CA ARG 124 7.062 -48.494 17.886 1.00 54.04 ATOM 2062 HA ARG 124 7.665 -49.177 18.471 1.00 24.44 ATOM 2063 CB ARG 124 7.945 -47.374 17.332 1.00 15.25 ATOM 2064 HB1 ARG 124 7.776 -46.447 17.865 1.00 38.39 ATOM 2065 HB2 ARG 124 7.694 -47.212 16.292 1.00 54.41 ATOM 2066 CG ARG 124 9.431 -47.684 17.392 1.00 22.32 ATOM 2067 HG1 ARG 124 9.969 -46.899 16.881 1.00 38.39 ATOM 2068 HG2 ARG 124 9.611 -48.625 16.892 1.00 24.30 ATOM 2069 CD ARG 124 9.926 -47.765 18.828 1.00 61.52 ATOM 2070 HD1 ARG 124 9.106 -47.930 19.506 1.00 38.39 ATOM 2071 HD2 ARG 124 10.403 -46.829 19.076 1.00 30.12 ATOM 2072 NE ARG 124 10.894 -48.843 19.013 1.00 61.31 ATOM 2073 HE ARG 124 11.108 -49.413 18.238 1.00 40.51 ATOM 2074 CZ ARG 124 11.501 -49.096 20.167 1.00 1.42 ATOM 2075 NH1 ARG 124 11.241 -48.352 21.233 1.00 1.43 ATOM 2076 HH11 ARG 124 10.591 -47.594 21.192 1.00 41.00 ATOM 2077 HH12 ARG 124 11.703 -48.550 22.100 1.00 73.54 ATOM 2078 NH2 ARG 124 12.370 -50.095 20.257 1.00 40.53 ATOM 2079 HH21 ARG 124 12.571 -50.661 19.455 1.00 4.32 ATOM 2080 HH22 ARG 124 12.829 -50.287 21.127 1.00 44.54 ATOM 2081 C ARG 124 6.006 -47.910 18.820 1.00 2.11 ATOM 2082 O ARG 124 4.811 -48.139 18.643 1.00 55.30 ATOM 2083 N GLY 125 6.458 -47.154 19.817 1.00 62.44 ATOM 2084 HN GLY 125 7.421 -47.015 19.933 1.00 38.39 ATOM 2085 CA GLY 125 5.540 -46.550 20.765 1.00 65.14 ATOM 2086 HA1 GLY 125 5.340 -47.259 21.554 1.00 38.39 ATOM 2087 HA2 GLY 125 4.607 -46.306 20.270 1.00 44.42 ATOM 2088 C GLY 125 6.096 -45.282 21.382 1.00 24.42 ATOM 2089 O GLY 125 5.830 -44.981 22.546 1.00 32.35 ATOM 2090 N LEU 126 6.873 -44.538 20.603 1.00 54.43 ATOM 2091 HN LEU 126 6.999 -44.802 19.664 1.00 38.39 ATOM 2092 CA LEU 126 7.470 -43.295 21.080 1.00 33.23 ATOM 2093 HA LEU 126 8.129 -43.534 21.903 1.00 14.11 ATOM 2094 CB LEU 126 8.288 -42.639 19.967 1.00 2.22 ATOM 2095 HB1 LEU 126 8.835 -41.823 20.414 1.00 38.39 ATOM 2096 HB2 LEU 126 7.592 -42.220 19.246 1.00 75.24 ATOM 2097 CG LEU 126 9.271 -43.549 19.231 1.00 64.32 ATOM 2098 HG LEU 126 9.009 -44.586 19.374 1.00 71.22 ATOM 2099 CD1 LEU 126 9.233 -43.278 17.735 1.00 53.20 ATOM 2100 HD11 LEU 126 8.239 -43.421 17.361 1.00 33.43 ATOM 2101 HD12 LEU 126 9.903 -43.958 17.227 1.00 62.34 ATOM 2102 HD13 LEU 126 9.544 -42.260 17.542 1.00 13.33 ATOM 2103 CD2 LEU 126 10.681 -43.361 19.773 1.00 71.14 ATOM 2104 HD21 LEU 126 11.359 -44.028 19.259 1.00 40.40 ATOM 2105 HD22 LEU 126 10.696 -43.586 20.831 1.00 21.04 ATOM 2106 HD23 LEU 126 10.998 -42.338 19.619 1.00 2.43 ATOM 2107 C LEU 126 6.397 -42.330 21.575 1.00 71.41 ATOM 2108 O LEU 126 6.575 -41.656 22.589 1.00 15.31 ATOM 2109 N SER 127 5.282 -42.272 20.853 1.00 44.11 ATOM 2110 HN SER 127 5.195 -42.816 20.036 1.00 38.39 ATOM 2111 CA SER 127 4.181 -41.389 21.217 1.00 11.43 ATOM 2112 HA SER 127 4.338 -41.013 22.221 1.00 13.22 ATOM 2113 CB SER 127 4.115 -40.198 20.258 1.00 23.24 ATOM 2114 HB1 SER 127 3.604 -39.389 20.725 1.00 38.39 ATOM 2115 HB2 SER 127 3.587 -40.479 19.355 1.00 25.14 ATOM 2116 OG SER 127 5.414 -39.768 19.890 1.00 2.11 ATOM 2117 HG SER 127 5.353 -39.162 19.148 1.00 61.03 ATOM 2118 C SER 127 2.854 -42.141 21.203 1.00 32.15 ATOM 2119 O SER 127 2.782 -43.287 20.762 1.00 42.03 ATOM 2120 N ASN 128 1.805 -41.487 21.691 1.00 13.31 ATOM 2121 HN ASN 128 1.918 -40.598 22.026 1.00 38.39 ATOM 2122 CA ASN 128 0.479 -42.093 21.736 1.00 61.01 ATOM 2123 HA ASN 128 0.541 -43.089 21.319 1.00 21.21 ATOM 2124 CB ASN 128 -0.004 -42.206 23.183 1.00 31.23 ATOM 2125 HB1 ASN 128 -0.496 -43.156 23.312 1.00 38.39 ATOM 2126 HB2 ASN 128 -0.708 -41.414 23.409 1.00 33.44 ATOM 2127 CG ASN 128 1.137 -42.143 24.180 1.00 11.13 ATOM 2128 OD1 ASN 128 1.988 -43.031 24.223 1.00 22.24 ATOM 2129 ND2 ASN 128 1.159 -41.089 24.988 1.00 33.22 ATOM 2130 HD21 ASN 128 0.454 -40.408 24.911 1.00 5.12 ATOM 2131 HD22 ASN 128 1.889 -41.031 25.639 1.00 54.20 ATOM 2132 C ASN 128 -0.519 -41.280 20.917 1.00 60.10 ATOM 2133 O ASN 128 -0.311 -40.101 20.631 1.00 3.22 ATOM 2134 N PRO 129 -1.630 -41.924 20.530 1.00 13.21 ATOM 2135 CA PRO 129 -2.684 -41.280 19.740 1.00 44.23 ATOM 2136 HA PRO 129 -2.286 -40.825 18.844 1.00 61.13 ATOM 2137 CB PRO 129 -3.604 -42.443 19.360 1.00 4.23 ATOM 2138 HB1 PRO 129 -3.313 -42.826 18.393 1.00 38.39 ATOM 2139 HB2 PRO 129 -4.638 -42.122 19.323 1.00 25.54 ATOM 2140 CG PRO 129 -3.385 -43.462 20.425 1.00 12.41 ATOM 2141 HG1 PRO 129 -3.574 -44.450 20.032 1.00 38.39 ATOM 2142 HG2 PRO 129 -4.034 -43.261 21.265 1.00 3.31 ATOM 2143 CD PRO 129 -1.944 -43.330 20.835 1.00 54.20 ATOM 2144 HD1 PRO 129 -1.324 -44.000 20.258 1.00 38.39 ATOM 2145 HD2 PRO 129 -1.853 -43.540 21.881 1.00 15.13 ATOM 2146 C PRO 129 -3.451 -40.233 20.540 1.00 2.10 ATOM 2147 O PRO 129 -4.243 -39.472 19.986 1.00 44.13 ATOM 2148 N ASN 130 -3.210 -40.200 21.847 1.00 71.22 ATOM 2149 HN ASN 130 -2.602 -40.847 22.256 1.00 38.39 ATOM 2150 CA ASN 130 -3.879 -39.246 22.724 1.00 51.15 ATOM 2151 HA ASN 130 -4.875 -39.058 22.336 1.00 71.02 ATOM 2152 CB ASN 130 -3.993 -39.815 24.139 1.00 24.02 ATOM 2153 HB1 ASN 130 -3.993 -39.005 24.860 1.00 38.39 ATOM 2154 HB2 ASN 130 -3.145 -40.455 24.342 1.00 73.10 ATOM 2155 CG ASN 130 -5.270 -40.606 24.344 1.00 71.35 ATOM 2156 OD1 ASN 130 -6.359 -40.038 24.428 1.00 3.25 ATOM 2157 ND2 ASN 130 -5.142 -41.926 24.424 1.00 51.34 ATOM 2158 HD21 ASN 130 -4.247 -42.328 24.349 1.00 74.55 ATOM 2159 HD22 ASN 130 -5.957 -42.454 24.557 1.00 41.31 ATOM 2160 C ASN 130 -3.129 -37.918 22.756 1.00 65.02 ATOM 2161 O ASN 130 -3.730 -36.851 22.637 1.00 71.31 ATOM 2162 N GLU 131 -1.811 -37.993 22.917 1.00 10.10 ATOM 2163 HN GLU 131 -1.396 -38.878 23.028 1.00 38.39 ATOM 2164 CA GLU 131 -0.979 -36.797 22.965 1.00 2.51 ATOM 2165 HA GLU 131 -1.416 -36.106 23.676 1.00 41.51 ATOM 2166 CB GLU 131 0.434 -37.150 23.433 1.00 4.23 ATOM 2167 HB1 GLU 131 0.375 -37.550 24.435 1.00 38.39 ATOM 2168 HB2 GLU 131 1.034 -36.248 23.453 1.00 51.21 ATOM 2169 CG GLU 131 1.128 -38.177 22.554 1.00 41.40 ATOM 2170 HG1 GLU 131 1.099 -37.862 21.532 1.00 38.39 ATOM 2171 HG2 GLU 131 0.610 -39.112 22.654 1.00 45.31 ATOM 2172 CD GLU 131 2.576 -38.398 22.947 1.00 73.41 ATOM 2173 OE1 GLU 131 2.827 -39.227 23.847 1.00 54.31 ATOM 2174 OE2 GLU 131 3.458 -37.743 22.353 1.00 31.14 ATOM 2175 C GLU 131 -0.919 -36.120 21.599 1.00 54.14 ATOM 2176 O GLU 131 -0.844 -34.894 21.503 1.00 72.13 ATOM 2177 N LEU 132 -0.953 -36.927 20.544 1.00 40.43 ATOM 2178 HN LEU 132 -0.989 -37.903 20.676 1.00 38.39 ATOM 2179 CA LEU 132 -0.902 -36.407 19.181 1.00 35.34 ATOM 2180 HA LEU 132 0.073 -35.976 19.029 1.00 62.24 ATOM 2181 CB LEU 132 -1.115 -37.539 18.175 1.00 75.31 ATOM 2182 HB1 LEU 132 -2.054 -38.021 18.415 1.00 38.39 ATOM 2183 HB2 LEU 132 -0.320 -38.261 18.313 1.00 62.35 ATOM 2184 CG LEU 132 -1.148 -37.130 16.702 1.00 73.32 ATOM 2185 HG LEU 132 -1.940 -36.425 16.553 1.00 64.14 ATOM 2186 CD1 LEU 132 0.167 -36.482 16.298 1.00 12.25 ATOM 2187 HD11 LEU 132 0.367 -35.623 16.921 1.00 53.22 ATOM 2188 HD12 LEU 132 0.104 -36.159 15.268 1.00 33.15 ATOM 2189 HD13 LEU 132 0.972 -37.196 16.395 1.00 51.32 ATOM 2190 CD2 LEU 132 -1.444 -38.335 15.820 1.00 25.03 ATOM 2191 HD21 LEU 132 -2.395 -38.766 16.102 1.00 52.14 ATOM 2192 HD22 LEU 132 -0.665 -39.076 15.940 1.00 43.35 ATOM 2193 HD23 LEU 132 -1.488 -38.025 14.785 1.00 24.03 ATOM 2194 C LEU 132 -1.954 -35.322 18.973 1.00 3.22 ATOM 2195 O LEU 132 -1.639 -34.218 18.530 1.00 12.42 ATOM 2196 N GLN 133 -3.202 -35.644 19.298 1.00 43.23 ATOM 2197 HN GLN 133 -3.391 -36.548 19.647 1.00 38.39 ATOM 2198 CA GLN 133 -4.299 -34.695 19.147 1.00 4.03 ATOM 2199 HA GLN 133 -4.411 -34.504 18.094 1.00 31.33 ATOM 2200 CB GLN 133 -5.594 -35.288 19.703 1.00 31.54 ATOM 2201 HB1 GLN 133 -5.561 -35.274 20.785 1.00 38.39 ATOM 2202 HB2 GLN 133 -5.674 -36.317 19.376 1.00 72.12 ATOM 2203 CG GLN 133 -6.844 -34.548 19.256 1.00 1.30 ATOM 2204 HG1 GLN 133 -6.736 -33.498 19.493 1.00 38.39 ATOM 2205 HG2 GLN 133 -7.691 -34.949 19.794 1.00 55.13 ATOM 2206 CD GLN 133 -7.108 -34.693 17.770 1.00 32.34 ATOM 2207 OE1 GLN 133 -7.833 -35.592 17.342 1.00 10.12 ATOM 2208 NE2 GLN 133 -6.520 -33.808 16.975 1.00 53.44 ATOM 2209 HE21 GLN 133 -5.952 -33.110 17.372 1.00 13.20 ATOM 2210 HE22 GLN 133 -6.678 -33.886 16.011 1.00 12.32 ATOM 2211 C GLN 133 -3.983 -33.381 19.854 1.00 23.14 ATOM 2212 O GLN 133 -4.094 -32.306 19.266 1.00 62.10 ATOM 2213 N ALA 134 -3.589 -33.476 21.120 1.00 2.11 ATOM 2214 HN ALA 134 -3.521 -34.368 21.538 1.00 38.39 ATOM 2215 CA ALA 134 -3.255 -32.295 21.907 1.00 53.02 ATOM 2216 HA ALA 134 -4.128 -31.656 21.945 1.00 25.45 ATOM 2217 CB ALA 134 -2.904 -32.693 23.333 1.00 44.33 ATOM 2218 HB1 ALA 134 -2.715 -31.807 23.922 1.00 31.00 ATOM 2219 HB2 ALA 134 -2.023 -33.319 23.330 1.00 24.03 ATOM 2220 HB3 ALA 134 -3.729 -33.240 23.765 1.00 52.22 ATOM 2221 C ALA 134 -2.105 -31.520 21.273 1.00 52.11 ATOM 2222 O ALA 134 -2.064 -30.291 21.334 1.00 71.53 ATOM 2223 N ALA 135 -1.172 -32.246 20.665 1.00 13.24 ATOM 2224 HN ALA 135 -1.245 -33.229 20.659 1.00 38.39 ATOM 2225 CA ALA 135 -0.022 -31.626 20.019 1.00 13.32 ATOM 2226 HA ALA 135 0.490 -31.015 20.751 1.00 4.24 ATOM 2227 CB ALA 135 0.951 -32.692 19.538 1.00 51.31 ATOM 2228 HB1 ALA 135 1.886 -32.227 19.263 1.00 31.14 ATOM 2229 HB2 ALA 135 0.544 -33.210 18.682 1.00 43.12 ATOM 2230 HB3 ALA 135 1.123 -33.398 20.335 1.00 11.54 ATOM 2231 C ALA 135 -0.457 -30.740 18.857 1.00 72.14 ATOM 2232 O ALA 135 -0.051 -29.581 18.761 1.00 34.43 ATOM 2233 N ILE 136 -1.284 -31.293 17.975 1.00 44.40 ATOM 2234 HN ILE 136 -1.575 -32.227 18.104 1.00 38.39 ATOM 2235 CA ILE 136 -1.773 -30.552 16.819 1.00 13.21 ATOM 2236 HA ILE 136 -0.917 -30.190 16.260 1.00 21.43 ATOM 2237 CB ILE 136 -2.614 -31.448 15.891 1.00 72.10 ATOM 2238 HB ILE 136 -3.434 -31.847 16.471 1.00 31.31 ATOM 2239 CG1 ILE 136 -1.759 -32.588 15.334 1.00 44.43 ATOM 2240 HG11 ILE 136 -0.739 -32.504 15.691 1.00 38.39 ATOM 2241 HG12 ILE 136 -1.753 -32.545 14.261 1.00 3.20 ATOM 2242 CG2 ILE 136 -3.212 -30.625 14.760 1.00 74.44 ATOM 2243 HG21 ILE 136 -3.994 -29.987 15.142 1.00 1.01 ATOM 2244 HG22 ILE 136 -3.637 -31.285 14.014 1.00 20.35 ATOM 2245 HG23 ILE 136 -2.445 -30.017 14.299 1.00 43.34 ATOM 2246 CD1 ILE 136 -2.262 -33.963 15.713 1.00 2.44 ATOM 2247 HD11 ILE 136 -3.033 -33.904 16.469 1.00 33.25 ATOM 2248 HD12 ILE 136 -1.441 -34.517 16.097 1.00 51.41 ATOM 2249 HD13 ILE 136 -2.653 -34.460 14.837 1.00 60.12 ATOM 2250 C ILE 136 -2.614 -29.354 17.249 1.00 23.43 ATOM 2251 O ILE 136 -2.390 -28.231 16.798 1.00 63.35 ATOM 2252 N ASP 137 -3.580 -29.602 18.126 1.00 15.32 ATOM 2253 HN ASP 137 -3.715 -30.526 18.447 1.00 38.39 ATOM 2254 CA ASP 137 -4.453 -28.543 18.621 1.00 74.44 ATOM 2255 HA ASP 137 -5.037 -28.176 17.789 1.00 20.11 ATOM 2256 CB ASP 137 -5.403 -29.092 19.687 1.00 62.54 ATOM 2257 HB1 ASP 137 -4.827 -29.607 20.442 1.00 38.39 ATOM 2258 HB2 ASP 137 -6.087 -29.789 19.225 1.00 23.25 ATOM 2259 CG ASP 137 -6.213 -28.001 20.358 1.00 1.01 ATOM 2260 OD1 ASP 137 -7.114 -27.441 19.699 1.00 3.14 ATOM 2261 OD2 ASP 137 -5.945 -27.706 21.542 1.00 74.10 ATOM 2262 C ASP 137 -3.637 -27.389 19.194 1.00 31.45 ATOM 2263 O ASP 137 -3.880 -26.226 18.875 1.00 3.54 ATOM 2264 N SER 138 -2.670 -27.720 20.044 1.00 64.54 ATOM 2265 HN SER 138 -2.526 -28.671 20.267 1.00 38.39 ATOM 2266 CA SER 138 -1.821 -26.711 20.666 1.00 24.51 ATOM 2267 HA SER 138 -2.446 -26.084 21.286 1.00 35.21 ATOM 2268 CB SER 138 -0.761 -27.378 21.545 1.00 22.13 ATOM 2269 HB1 SER 138 0.113 -26.742 21.623 1.00 38.39 ATOM 2270 HB2 SER 138 -0.471 -28.325 21.113 1.00 1.11 ATOM 2271 OG SER 138 -1.255 -27.608 22.854 1.00 64.15 ATOM 2272 HG SER 138 -1.797 -28.401 22.860 1.00 73.13 ATOM 2273 C SER 138 -1.147 -25.841 19.609 1.00 21.33 ATOM 2274 O SER 138 -0.964 -24.640 19.803 1.00 25.54 ATOM 2275 N ASN 139 -0.780 -26.458 18.490 1.00 14.42 ATOM 2276 HN ASN 139 -0.943 -27.425 18.390 1.00 38.39 ATOM 2277 CA ASN 139 -0.126 -25.741 17.402 1.00 52.52 ATOM 2278 HA ASN 139 0.661 -25.125 17.825 1.00 1.32 ATOM 2279 CB ASN 139 0.485 -26.729 16.407 1.00 62.12 ATOM 2280 HB1 ASN 139 0.517 -26.286 15.418 1.00 38.39 ATOM 2281 HB2 ASN 139 -0.113 -27.624 16.367 1.00 55.55 ATOM 2282 CG ASN 139 1.901 -27.125 16.781 1.00 53.44 ATOM 2283 OD1 ASN 139 2.844 -26.885 16.026 1.00 33.32 ATOM 2284 ND2 ASN 139 2.055 -27.734 17.950 1.00 3.24 ATOM 2285 HD21 ASN 139 1.269 -27.904 18.512 1.00 13.23 ATOM 2286 HD22 ASN 139 2.963 -27.994 18.210 1.00 11.23 ATOM 2287 C ASN 139 -1.112 -24.824 16.684 1.00 13.11 ATOM 2288 O ASN 139 -0.794 -23.677 16.371 1.00 41.32 ATOM 2289 N ARG 140 -2.311 -25.338 16.428 1.00 63.14 ATOM 2290 HN ARG 140 -2.511 -26.259 16.719 1.00 38.39 ATOM 2291 CA ARG 140 -3.343 -24.566 15.747 1.00 73.53 ATOM 2292 HA ARG 140 -2.941 -24.221 14.803 1.00 12.43 ATOM 2293 CB ARG 140 -4.565 -25.444 15.469 1.00 54.43 ATOM 2294 HB1 ARG 140 -5.249 -24.887 14.843 1.00 38.39 ATOM 2295 HB2 ARG 140 -5.057 -25.667 16.410 1.00 41.11 ATOM 2296 CG ARG 140 -4.227 -26.766 14.801 1.00 25.40 ATOM 2297 HG1 ARG 140 -4.380 -27.564 15.513 1.00 38.39 ATOM 2298 HG2 ARG 140 -3.193 -26.768 14.479 1.00 75.14 ATOM 2299 CD ARG 140 -5.105 -27.018 13.586 1.00 60.05 ATOM 2300 HD1 ARG 140 -4.584 -27.699 12.928 1.00 38.39 ATOM 2301 HD2 ARG 140 -5.277 -26.085 13.062 1.00 31.21 ATOM 2302 NE ARG 140 -6.387 -27.614 13.951 1.00 53.22 ATOM 2303 HE ARG 140 -6.514 -27.899 14.886 1.00 24.20 ATOM 2304 CZ ARG 140 -7.385 -27.794 13.093 1.00 61.35 ATOM 2305 NH1 ARG 140 -7.249 -27.427 11.826 1.00 64.42 ATOM 2306 HH11 ARG 140 -6.405 -27.014 11.490 1.00 23.32 ATOM 2307 HH12 ARG 140 -8.008 -27.566 11.187 1.00 1.42 ATOM 2308 NH2 ARG 140 -8.522 -28.343 13.501 1.00 62.43 ATOM 2309 HH21 ARG 140 -8.631 -28.623 14.457 1.00 52.51 ATOM 2310 HH22 ARG 140 -9.276 -28.479 12.855 1.00 1.32 ATOM 2311 C ARG 140 -3.753 -23.354 16.578 1.00 44.25 ATOM 2312 O ARG 140 -4.087 -22.301 16.034 1.00 1.11 ATOM 2313 N ARG 141 -3.724 -23.510 17.897 1.00 73.20 ATOM 2314 HN ARG 141 -3.458 -24.378 18.281 1.00 38.39 ATOM 2315 CA ARG 141 -4.094 -22.429 18.803 1.00 61.14 ATOM 2316 HA ARG 141 -5.048 -22.029 18.484 1.00 53.42 ATOM 2317 CB ARG 141 -4.238 -22.958 20.231 1.00 74.34 ATOM 2318 HB1 ARG 141 -3.315 -23.449 20.510 1.00 38.39 ATOM 2319 HB2 ARG 141 -5.041 -23.681 20.254 1.00 0.24 ATOM 2320 CG ARG 141 -4.540 -21.876 21.254 1.00 50.42 ATOM 2321 HG1 ARG 141 -5.510 -21.455 21.035 1.00 38.39 ATOM 2322 HG2 ARG 141 -3.791 -21.100 21.192 1.00 72.30 ATOM 2323 CD ARG 141 -4.527 -22.428 22.670 1.00 23.53 ATOM 2324 HD1 ARG 141 -3.777 -21.895 23.237 1.00 38.39 ATOM 2325 HD2 ARG 141 -4.275 -23.482 22.654 1.00 62.32 ATOM 2326 NE ARG 141 -5.817 -22.263 23.335 1.00 63.24 ATOM 2327 HE ARG 141 -6.531 -21.786 22.852 1.00 32.22 ATOM 2328 CZ ARG 141 -6.079 -22.719 24.554 1.00 31.23 ATOM 2329 NH1 ARG 141 -5.145 -23.365 25.239 1.00 13.44 ATOM 2330 HH11 ARG 141 -4.235 -23.521 24.858 1.00 71.13 ATOM 2331 HH12 ARG 141 -5.352 -23.706 26.159 1.00 10.12 ATOM 2332 NH2 ARG 141 -7.278 -22.529 25.091 1.00 25.54 ATOM 2333 HH21 ARG 141 -7.988 -22.041 24.579 1.00 61.20 ATOM 2334 HH22 ARG 141 -7.479 -22.872 26.011 1.00 30.11 ATOM 2335 C ARG 141 -3.057 -21.310 18.766 1.00 62.53 ATOM 2336 O ARG 141 -3.390 -20.151 18.525 1.00 2.30 ATOM 2337 N GLU 142 -1.799 -21.668 19.007 1.00 73.14 ATOM 2338 HN GLU 142 -1.595 -22.616 19.195 1.00 38.39 ATOM 2339 CA GLU 142 -0.714 -20.694 19.002 1.00 15.32 ATOM 2340 HA GLU 142 -0.912 -19.980 19.794 1.00 74.52 ATOM 2341 CB GLU 142 0.624 -21.386 19.266 1.00 61.41 ATOM 2342 HB1 GLU 142 1.413 -20.845 18.751 1.00 38.39 ATOM 2343 HB2 GLU 142 0.586 -22.394 18.874 1.00 1.30 ATOM 2344 CG GLU 142 0.988 -21.467 20.739 1.00 72.40 ATOM 2345 HG1 GLU 142 0.517 -22.342 21.164 1.00 38.39 ATOM 2346 HG2 GLU 142 0.628 -20.583 21.249 1.00 64.44 ATOM 2347 CD GLU 142 2.484 -21.564 20.966 1.00 31.11 ATOM 2348 OE1 GLU 142 3.173 -20.532 20.826 1.00 54.33 ATOM 2349 OE2 GLU 142 2.966 -22.671 21.284 1.00 60.33 ATOM 2350 C GLU 142 -0.660 -19.947 17.673 1.00 43.53 ATOM 2351 O GLU 142 -0.839 -20.537 16.608 1.00 23.15 ATOM 2352 N GLY 143 -0.411 -18.642 17.743 1.00 33.13 ATOM 2353 HN GLY 143 -0.263 -18.218 18.621 1.00 38.39 ATOM 2354 CA GLY 143 -0.338 -17.835 16.540 1.00 51.24 ATOM 2355 HA1 GLY 143 -0.852 -18.329 15.723 1.00 38.39 ATOM 2356 HA2 GLY 143 0.700 -17.713 16.270 1.00 42.12 ATOM 2357 C GLY 143 -0.952 -16.461 16.725 1.00 61.24 ATOM 2358 O GLY 143 -1.913 -16.107 16.042 1.00 13.43 ATOM 2359 N ARG 144 -0.397 -15.687 17.651 1.00 44.52 ATOM 2360 HN ARG 144 0.370 -16.026 18.171 1.00 38.39 ATOM 2361 CA ARG 144 -0.898 -14.345 17.926 1.00 65.25 ATOM 2362 HA ARG 144 -1.434 -13.981 17.058 1.00 54.31 ATOM 2363 CB ARG 144 -1.855 -14.370 19.118 1.00 12.22 ATOM 2364 HB1 ARG 144 -2.710 -14.970 18.841 1.00 38.39 ATOM 2365 HB2 ARG 144 -2.192 -13.360 19.323 1.00 22.22 ATOM 2366 CG ARG 144 -1.235 -14.933 20.386 1.00 25.12 ATOM 2367 HG1 ARG 144 -0.842 -14.114 20.971 1.00 38.39 ATOM 2368 HG2 ARG 144 -0.429 -15.610 20.140 1.00 24.30 ATOM 2369 CD ARG 144 -2.256 -15.697 21.215 1.00 41.34 ATOM 2370 HD1 ARG 144 -1.763 -16.555 21.649 1.00 38.39 ATOM 2371 HD2 ARG 144 -3.068 -16.042 20.587 1.00 0.21 ATOM 2372 NE ARG 144 -2.801 -14.883 22.298 1.00 44.41 ATOM 2373 HE ARG 144 -2.434 -13.978 22.428 1.00 1.23 ATOM 2374 CZ ARG 144 -3.762 -15.296 23.116 1.00 72.12 ATOM 2375 NH1 ARG 144 -4.282 -16.508 22.974 1.00 1.34 ATOM 2376 HH11 ARG 144 -3.966 -17.129 22.259 1.00 71.21 ATOM 2377 HH12 ARG 144 -5.008 -16.812 23.595 1.00 30.15 ATOM 2378 NH2 ARG 144 -4.205 -14.497 24.078 1.00 34.21 ATOM 2379 HH21 ARG 144 -3.816 -13.580 24.190 1.00 61.31 ATOM 2380 HH22 ARG 144 -4.930 -14.807 24.696 1.00 70.21 ATOM 2381 C ARG 144 0.253 -13.382 18.203 1.00 54.42 ATOM 2382 O ARG 144 1.408 -13.793 18.311 1.00 31.13 ATOM 2383 N ARG 145 -0.072 -12.098 18.316 1.00 50.23 ATOM 2384 HN ARG 145 -1.014 -11.836 18.192 1.00 38.39 ATOM 2385 HA ARG 145 1.708 -11.161 17.826 1.00 21.23 ATOM 2386 CB ARG 145 0.311 -9.681 18.485 1.00 23.41 ATOM 2387 HB1 ARG 145 -0.049 -9.543 17.475 1.00 38.39 ATOM 2388 HB2 ARG 145 1.075 -8.940 18.674 1.00 44.11 ATOM 2389 CG ARG 145 -0.864 -9.475 19.427 1.00 42.23 ATOM 2390 HG1 ARG 145 -1.336 -10.417 19.664 1.00 38.39 ATOM 2391 HG2 ARG 145 -1.583 -8.833 18.942 1.00 42.13 ATOM 2392 CD ARG 145 -0.428 -8.811 20.724 1.00 74.12 ATOM 2393 HD1 ARG 145 0.289 -9.429 21.230 1.00 38.39 ATOM 2394 HD2 ARG 145 -1.298 -8.696 21.354 1.00 52.54 ATOM 2395 NE ARG 145 0.156 -7.492 20.495 1.00 71.45 ATOM 2396 HE ARG 145 0.204 -7.160 19.568 1.00 52.40 ATOM 2397 CZ ARG 145 0.618 -6.714 21.467 1.00 55.01 ATOM 2398 NH1 ARG 145 0.563 -7.120 22.728 1.00 64.12 ATOM 2399 HH11 ARG 145 0.178 -8.009 22.971 1.00 51.32 ATOM 2400 HH12 ARG 145 0.914 -6.527 23.456 1.00 12.51 ATOM 2401 NH2 ARG 145 1.135 -5.527 21.179 1.00 41.33 ATOM 2402 HH21 ARG 145 1.179 -5.214 20.228 1.00 32.22 ATOM 2403 HH22 ARG 145 1.484 -4.938 21.911 1.00 40.40 ATOM 2404 CA ARG 145 0.934 -11.076 18.578 1.00 12.44 ATOM 2405 C ARG 145 1.563 -11.273 19.955 1.00 54.43 ATOM 2406 OT1 ARG 145 2.763 -10.959 20.099 1.00 38.39 ATOM 2407 OT2 ARG 145 0.863 -11.749 20.879 1.00 38.39 ATOM 2408 OH2 TIP3 1 -4.737 -55.617 -17.735 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -5.679 -55.559 -17.574 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -4.461 -54.711 -17.872 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -3.640 -57.369 -14.124 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -3.500 -57.960 -14.863 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -3.472 -56.496 -14.480 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -1.085 -54.688 -12.547 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -1.134 -55.643 -12.584 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -1.911 -54.420 -12.145 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -7.235 -55.692 -13.808 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -8.136 -55.509 -14.076 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -7.201 -55.433 -12.887 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -1.540 -57.647 -12.604 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -2.392 -57.409 -12.971 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -0.950 -57.664 -13.357 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -5.360 -53.062 -13.760 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -5.962 -53.617 -14.255 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -5.079 -52.395 -14.386 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -4.090 -52.808 -17.793 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -4.246 -52.130 -18.450 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -3.158 -52.736 -17.590 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -7.202 -54.838 -11.216 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -7.553 -55.694 -10.973 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -6.476 -54.695 -10.609 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -1.374 -52.158 -17.564 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -1.396 -51.973 -16.625 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -0.684 -51.589 -17.905 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -3.360 -56.801 -10.004 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -4.226 -56.906 -9.610 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -2.984 -56.042 -9.557 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -3.419 -54.828 -15.411 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -4.067 -54.503 -14.786 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -3.937 -55.268 -16.086 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -7.641 -51.480 -12.987 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -6.964 -52.112 -13.227 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -7.319 -51.078 -12.179 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -7.390 -52.542 -15.992 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -8.294 -52.377 -16.258 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -6.961 -51.689 -16.058 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -5.249 -57.457 -1.227 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -5.690 -58.177 -0.777 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -5.262 -56.736 -0.597 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -10.566 -57.963 0.877 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -10.262 -58.649 0.283 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -9.844 -57.845 1.495 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -1.511 -64.884 3.974 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -2.200 -64.226 3.879 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -1.496 -65.081 4.911 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -8.091 -57.050 -3.905 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -8.387 -57.372 -4.756 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -8.415 -56.150 -3.863 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -5.326 -55.935 -3.745 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -5.583 -56.625 -4.357 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -5.255 -56.378 -2.900 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -5.864 -62.023 4.524 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -5.784 -61.260 5.096 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -6.465 -61.744 3.833 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -12.869 -56.399 5.689 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -13.181 -55.617 6.145 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -13.519 -56.552 5.003 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -9.164 -54.298 -3.424 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -8.690 -54.003 -2.646 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -9.727 -53.560 -3.657 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -2.002 -54.919 -8.669 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -1.929 -53.980 -8.499 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -1.097 -55.224 -8.726 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -10.106 -55.114 5.185 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -10.019 -54.288 5.660 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -10.970 -55.444 5.434 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -9.692 -51.342 -5.009 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -9.767 -51.463 -5.955 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -9.659 -50.392 -4.890 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -6.590 -52.188 -8.006 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -6.215 -52.932 -8.477 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -6.586 -52.458 -7.088 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -6.921 -52.262 -5.257 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -7.856 -52.162 -5.078 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -6.641 -52.971 -4.679 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -3.933 -63.195 6.789 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -4.340 -62.714 6.069 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -3.892 -64.100 6.482 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -6.176 -64.863 5.010 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -6.690 -64.989 5.807 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -6.331 -63.951 4.765 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -8.273 -61.654 3.091 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -7.949 -62.285 2.448 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -8.713 -62.189 3.752 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -9.485 -58.154 5.098 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -9.831 -58.535 5.904 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -9.685 -57.220 5.169 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -3.208 -54.661 -6.120 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -3.581 -55.487 -5.810 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -2.931 -54.844 -7.017 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -6.048 -59.853 0.902 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -6.976 -60.085 0.875 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -5.597 -60.630 0.572 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -11.563 -53.713 2.926 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -11.200 -52.858 2.693 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -11.031 -54.005 3.667 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -8.019 -57.614 2.627 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -8.445 -57.841 3.453 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -7.438 -58.352 2.444 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -5.816 -56.685 -8.299 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -5.463 -57.065 -7.495 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -6.765 -56.778 -8.213 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -4.950 -58.012 -6.073 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -5.227 -58.740 -5.517 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -4.023 -57.893 -5.867 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -10.050 -54.305 -6.647 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -10.867 -53.808 -6.594 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -9.521 -53.830 -7.287 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -3.779 -65.815 5.345 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -4.695 -65.552 5.257 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -3.443 -65.818 4.448 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -5.177 -62.064 -0.559 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -5.974 -62.479 -0.888 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -4.732 -62.755 -0.068 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -13.779 -53.218 8.911 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -13.011 -53.677 9.252 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -13.800 -53.444 7.981 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -5.083 -53.893 -9.480 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -4.800 -54.687 -9.027 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -4.343 -53.660 -10.041 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -11.814 -58.357 7.678 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -12.142 -58.086 6.820 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -11.662 -59.298 7.590 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -8.670 -59.647 8.317 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -7.717 -59.563 8.289 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -8.830 -60.358 8.936 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -5.624 -60.350 6.960 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -5.905 -59.641 6.382 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -4.681 -60.423 6.809 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -2.059 -58.544 -5.634 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -1.209 -58.123 -5.506 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -2.054 -59.284 -5.026 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -1.665 -60.491 -3.810 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -2.391 -60.970 -3.412 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -1.084 -60.285 -3.078 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -1.525 -62.097 7.076 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -2.388 -62.476 6.911 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -0.921 -62.836 7.002 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -3.556 -63.806 0.651 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -2.623 -63.594 0.617 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -3.791 -63.704 1.574 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -3.527 -63.069 3.427 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -4.370 -62.801 3.793 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -3.084 -62.247 3.216 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -14.297 -54.164 3.666 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -14.722 -53.355 3.383 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -13.392 -54.079 3.364 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -14.428 -51.308 2.743 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -15.293 -51.236 3.147 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -14.483 -50.761 1.959 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -9.717 -51.420 1.919 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -10.174 -50.891 1.265 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -9.554 -50.817 2.644 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -9.365 -51.851 -7.808 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -8.499 -51.485 -7.986 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -9.612 -52.291 -8.621 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -2.656 -52.288 -5.128 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -2.850 -53.036 -5.693 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -2.695 -51.530 -5.712 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -5.249 -57.457 17.629 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -5.690 -58.177 18.079 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -5.262 -56.736 18.259 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -8.138 -52.352 17.841 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -7.518 -53.029 17.568 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -8.346 -52.570 18.749 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -4.737 -55.617 19.977 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -5.679 -55.559 20.138 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -4.461 -54.711 19.840 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -6.485 -53.836 16.602 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -6.060 -54.543 16.117 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -6.168 -53.035 16.185 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -5.326 -55.935 15.111 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -5.583 -56.625 14.499 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -5.255 -56.378 15.956 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -9.164 -54.298 15.432 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -8.690 -54.003 16.210 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -9.727 -53.560 15.199 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -9.692 -51.342 13.847 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -9.767 -51.463 12.901 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -9.659 -50.392 13.966 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -6.921 -52.262 13.599 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -7.856 -52.162 13.778 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -6.641 -52.971 14.177 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -5.413 -60.002 9.627 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -5.371 -60.225 8.697 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -4.564 -59.604 9.817 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -8.879 -56.879 11.742 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -9.174 -56.053 12.124 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -9.582 -57.499 11.938 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -3.208 -54.661 12.736 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -3.581 -55.487 13.046 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -2.931 -54.844 11.839 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -5.816 -56.685 10.557 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -5.463 -57.065 11.361 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -6.765 -56.778 10.643 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -4.950 -58.012 12.783 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -5.227 -58.740 13.339 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -4.023 -57.893 12.989 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -11.725 -55.573 9.004 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -11.486 -56.321 8.456 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -11.994 -55.961 9.836 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -12.788 -56.003 11.460 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -12.641 -56.523 12.250 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -12.791 -55.096 11.766 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -10.050 -54.305 12.209 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -10.867 -53.808 12.262 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -9.521 -53.830 11.569 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -12.712 -53.262 12.191 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -12.551 -52.462 11.690 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -12.909 -52.955 13.076 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -4.090 -52.808 19.919 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -4.246 -52.130 19.262 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -3.158 -52.736 20.122 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -8.776 -56.936 8.969 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -9.044 -56.756 9.870 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -8.982 -57.862 8.838 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -2.518 -59.413 9.247 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -2.791 -59.838 8.434 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -2.478 -58.482 9.030 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -12.010 -51.077 10.803 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -11.077 -50.919 10.947 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -12.274 -50.402 10.178 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -1.374 -52.158 20.148 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -1.396 -51.973 21.087 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -0.684 -51.589 19.807 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -1.811 -52.591 23.070 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -2.298 -53.326 22.699 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -1.262 -52.984 23.748 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -2.059 -58.544 13.222 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -1.209 -58.123 13.350 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -2.054 -59.284 13.830 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -1.665 -60.491 15.046 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -2.391 -60.970 15.444 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -1.084 -60.285 15.778 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -1.906 -57.706 19.994 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -1.072 -58.084 19.713 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -1.794 -56.763 19.875 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -3.419 -54.828 22.301 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -4.067 -54.503 22.926 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -3.937 -55.268 21.626 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -1.397 -60.590 11.437 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -1.918 -60.233 10.718 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -1.430 -59.915 12.115 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -3.048 -63.350 9.988 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -2.951 -62.683 9.308 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -3.188 -64.166 9.506 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -4.636 -52.068 15.720 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -3.983 -52.415 15.112 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -4.125 -51.579 16.366 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -4.785 -50.972 22.015 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -4.967 -50.056 21.804 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -4.609 -51.382 21.168 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -7.888 -40.795 -21.804 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -7.799 -39.851 -21.936 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -8.527 -41.070 -22.462 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -5.249 -38.601 -20.083 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -5.690 -39.321 -19.633 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -5.262 -37.880 -19.453 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -15.663 -37.475 -18.257 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -16.033 -38.277 -18.626 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -14.722 -37.644 -18.210 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -8.138 -33.496 -19.871 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -7.518 -34.173 -20.144 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -8.346 -33.714 -18.963 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -6.548 -46.481 -21.978 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -5.902 -46.810 -21.353 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -6.038 -45.963 -22.601 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -12.494 -42.665 -20.401 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -11.878 -43.191 -19.892 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -13.080 -43.305 -20.805 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -8.091 -38.194 -22.761 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -8.387 -38.516 -23.612 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -8.415 -37.294 -22.719 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -12.891 -40.018 -16.017 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -13.631 -39.420 -15.914 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -12.177 -39.464 -16.333 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -4.784 -47.190 -19.997 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -4.999 -47.956 -19.465 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -4.128 -46.718 -19.484 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -14.483 -38.054 -15.230 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -14.489 -37.175 -15.608 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -15.337 -38.137 -14.805 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -4.737 -36.761 -17.735 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -5.679 -36.703 -17.574 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -4.461 -35.855 -17.872 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -4.437 -48.475 -16.318 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -5.173 -47.864 -16.356 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -3.753 -48.060 -16.844 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -6.485 -34.980 -21.110 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -6.060 -35.687 -21.595 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -6.168 -34.179 -21.527 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -5.326 -37.079 -22.601 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -5.583 -37.769 -23.213 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -5.255 -37.522 -21.756 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -5.761 -41.341 -23.400 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -6.493 -41.113 -22.827 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -5.314 -42.055 -22.945 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -12.749 -37.283 -18.836 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -12.844 -37.861 -19.593 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -12.020 -37.654 -18.340 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -13.749 -41.942 -17.884 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -13.184 -41.821 -18.647 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -13.430 -41.305 -17.245 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -7.440 -36.439 -17.150 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -7.681 -35.777 -16.502 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -7.638 -37.273 -16.725 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -12.869 -37.543 -13.167 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -13.181 -36.761 -12.711 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -13.519 -37.696 -13.853 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -15.949 -41.345 -13.938 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -15.879 -40.694 -13.240 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -16.840 -41.242 -14.273 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -14.630 -35.471 -12.403 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -14.622 -35.607 -13.351 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -15.546 -35.589 -12.151 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -9.502 -49.763 -14.700 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -9.082 -50.178 -13.947 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -10.435 -49.941 -14.583 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -14.074 -44.519 -16.979 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -14.716 -44.560 -16.270 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -14.037 -43.593 -17.217 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -8.541 -43.882 -23.250 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -8.950 -43.067 -23.542 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -7.821 -44.022 -23.865 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -9.439 -43.707 -11.762 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -10.002 -44.411 -11.442 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -8.613 -43.827 -11.295 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -7.537 -44.436 -20.436 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -7.732 -43.831 -21.151 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -7.355 -45.270 -20.871 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -7.090 -47.636 -17.717 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -7.767 -47.505 -17.053 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -7.576 -47.791 -18.527 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -10.175 -44.083 -19.094 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -9.611 -44.630 -19.641 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -10.323 -44.605 -18.305 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -11.549 -45.695 -16.680 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -12.384 -45.241 -16.570 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -11.025 -45.419 -15.928 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -11.855 -42.209 -11.698 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -12.151 -42.375 -12.593 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -10.924 -42.429 -11.708 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -12.078 -39.006 -22.245 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -12.319 -38.081 -22.203 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -12.818 -39.465 -21.849 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -11.563 -34.857 -15.930 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -11.200 -34.002 -16.163 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -11.031 -35.149 -15.189 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -8.503 -47.232 -15.463 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -7.805 -47.158 -14.813 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -8.884 -48.096 -15.308 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -9.983 -44.866 -14.346 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -9.864 -44.292 -13.589 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -9.328 -45.554 -14.231 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -4.090 -33.952 -17.793 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -4.246 -33.274 -18.450 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -3.158 -33.880 -17.590 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -7.202 -35.982 -11.216 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -7.553 -36.838 -10.973 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -6.476 -35.839 -10.609 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -11.814 -39.501 -11.178 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -12.142 -39.230 -12.036 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -11.662 -40.442 -11.266 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -13.690 -43.262 -13.817 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -14.308 -42.587 -13.536 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -13.346 -42.941 -14.650 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -13.350 -45.907 -12.734 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -13.200 -46.636 -13.337 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -13.348 -45.130 -13.293 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -6.940 -44.283 -9.974 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -6.748 -45.214 -10.085 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -6.083 -43.858 -9.984 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -10.868 -45.759 -11.247 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -11.104 -45.979 -10.345 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -11.651 -45.966 -11.756 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -8.152 -46.632 -12.171 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -9.100 -46.600 -12.039 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -7.840 -47.257 -11.517 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -6.518 -47.998 -10.166 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -6.615 -48.950 -10.172 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -6.840 -47.729 -9.305 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -2.059 -39.688 -24.490 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -1.209 -39.267 -24.362 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -2.054 -40.428 -23.882 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -1.665 -41.635 -22.666 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -2.391 -42.114 -22.268 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -1.084 -41.429 -21.934 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -3.878 -43.114 -22.103 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -4.028 -44.059 -22.123 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -4.232 -42.833 -21.259 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -14.297 -35.308 -15.190 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -14.722 -34.499 -15.473 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -13.392 -35.223 -15.492 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -9.986 -33.909 -12.231 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -9.801 -34.243 -11.353 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -9.139 -33.600 -12.553 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -7.641 -32.624 -12.987 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -6.964 -33.256 -13.227 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -7.319 -32.222 -12.179 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -9.717 -32.564 -16.937 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -10.174 -32.035 -17.591 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -9.554 -31.961 -16.212 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -7.390 -33.686 -15.992 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -8.294 -33.521 -16.258 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -6.961 -32.833 -16.058 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -12.802 -34.249 -18.729 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -12.589 -35.137 -19.016 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -12.737 -34.283 -17.774 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -4.151 -50.478 -19.472 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -3.547 -49.930 -19.973 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -5.020 -50.158 -19.712 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -2.424 -49.339 -21.138 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -1.812 -49.853 -21.665 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -2.041 -48.461 -21.115 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -6.614 -50.754 -10.527 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -6.538 -51.180 -9.673 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -5.721 -50.740 -10.869 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -7.888 -40.795 -2.948 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -7.799 -39.851 -3.080 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -8.527 -41.070 -3.606 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -8.955 -41.540 0.471 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -8.993 -42.186 1.176 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -9.278 -42.006 -0.300 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -10.566 -39.107 0.877 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -10.262 -39.793 0.283 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -9.844 -38.989 1.495 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -7.425 -44.713 1.205 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -7.282 -45.660 1.225 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -7.531 -44.506 0.276 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -12.494 -42.665 -1.545 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -11.878 -43.191 -1.036 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -13.080 -43.305 -1.949 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -15.460 -47.694 2.551 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -15.679 -47.164 1.785 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -16.128 -47.467 3.199 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -11.434 -50.388 0.004 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -11.551 -51.337 -0.050 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -12.289 -50.056 0.277 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -9.113 -43.093 -8.457 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -8.412 -43.071 -7.806 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -8.811 -43.721 -9.113 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -12.749 -37.283 0.020 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -12.844 -37.861 -0.737 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -12.020 -37.654 0.516 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -3.192 -50.429 -7.046 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -4.091 -50.290 -6.751 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -2.940 -49.598 -7.448 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -10.106 -36.258 5.185 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -10.019 -35.432 5.660 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -10.970 -36.588 5.434 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -9.692 -32.486 -5.009 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -9.767 -32.607 -5.955 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -9.659 -31.536 -4.890 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -6.590 -33.332 -8.006 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -6.215 -34.076 -8.477 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -6.586 -33.602 -7.088 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -14.165 -49.485 0.782 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -15.026 -49.572 0.374 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -14.187 -48.629 1.209 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -5.413 -41.146 -9.229 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -5.371 -41.369 -10.159 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -4.564 -40.748 -9.039 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -9.840 -47.270 -8.559 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -10.094 -47.251 -7.636 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -10.097 -48.142 -8.860 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -14.074 -44.519 1.877 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -14.716 -44.560 2.586 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -14.037 -43.593 1.639 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -9.439 -43.707 7.094 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -10.002 -44.411 7.414 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -8.613 -43.827 7.561 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -8.273 -42.798 3.091 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -7.949 -43.429 2.448 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -8.713 -43.333 3.752 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -11.495 -46.871 -2.125 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -12.406 -46.814 -1.836 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -10.990 -46.931 -1.314 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -13.014 -45.242 -5.642 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -12.082 -45.113 -5.464 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -13.229 -44.572 -6.291 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -10.175 -44.083 -0.238 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -9.611 -44.630 -0.785 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -10.323 -44.605 0.551 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -11.549 -45.695 2.176 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -12.384 -45.241 2.286 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -11.025 -45.419 2.928 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -11.005 -39.482 -6.139 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -11.749 -39.989 -6.462 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -11.139 -39.433 -5.193 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -9.485 -39.298 5.098 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -9.831 -39.679 5.904 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -9.685 -38.364 5.169 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -8.879 -38.023 -7.114 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -9.174 -37.197 -6.732 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -9.582 -38.643 -6.918 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -11.855 -42.209 7.158 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -12.151 -42.375 6.263 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -10.924 -42.429 7.148 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -7.235 -36.836 5.048 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -8.136 -36.653 4.780 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -7.201 -36.577 5.969 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -6.048 -40.997 0.902 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -6.976 -41.229 0.875 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -5.597 -41.774 0.572 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -13.505 -36.669 -2.965 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -12.978 -35.896 -3.166 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -14.385 -36.444 -3.267 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -12.078 -39.006 -3.389 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -12.319 -38.081 -3.347 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -12.818 -39.465 -2.993 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -8.019 -38.758 2.627 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -8.445 -38.985 3.453 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -7.438 -39.496 2.444 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -1.312 -33.349 -8.098 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -0.569 -32.763 -8.238 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -2.007 -32.781 -7.765 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -11.725 -36.717 -9.852 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -11.486 -37.465 -10.400 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -11.994 -37.105 -9.020 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -12.788 -37.147 -7.396 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -12.641 -37.667 -6.606 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -12.791 -36.240 -7.090 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -10.050 -35.449 -6.647 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -10.867 -34.952 -6.594 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -9.521 -34.974 -7.287 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -10.519 -45.852 -4.675 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -9.707 -45.348 -4.629 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -10.764 -45.997 -3.761 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -9.635 -48.771 -3.737 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -9.982 -48.153 -3.092 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -8.977 -48.270 -4.218 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -12.712 -34.406 -6.665 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -12.551 -33.606 -7.166 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -12.909 -34.099 -5.780 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -9.687 -34.854 -9.714 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -10.331 -35.485 -9.392 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -8.925 -35.385 -9.946 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -7.202 -35.982 7.640 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -7.553 -36.838 7.883 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -6.476 -35.839 8.247 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -5.083 -35.037 -9.480 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -4.800 -35.831 -9.027 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -4.343 -34.804 -10.041 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -14.128 -39.127 -9.623 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -14.064 -39.921 -9.092 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -13.475 -39.246 -10.312 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -8.776 -38.080 -9.887 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -9.044 -37.900 -8.986 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -8.982 -39.006 -10.018 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -12.979 -41.155 -7.317 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -13.438 -41.639 -6.631 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -12.724 -41.823 -7.953 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -13.690 -43.262 5.039 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -14.308 -42.587 5.320 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -13.346 -42.941 4.206 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -11.908 -42.912 -9.054 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -12.088 -43.066 -9.982 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -10.957 -42.804 -9.010 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -8.670 -40.791 8.317 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -7.717 -40.707 8.289 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -8.830 -41.502 8.936 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -13.350 -45.907 6.122 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -13.200 -46.636 5.519 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -13.348 -45.130 5.563 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -12.938 -47.537 3.614 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -12.402 -47.086 2.962 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -13.790 -47.645 3.192 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -11.356 -42.098 3.854 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -10.605 -42.254 3.281 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -11.695 -41.246 3.578 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -6.940 -44.283 8.882 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -6.748 -45.214 8.771 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -6.083 -43.858 8.872 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -14.872 -44.709 8.033 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -15.639 -45.241 7.823 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -14.193 -45.019 7.434 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -12.132 -50.081 4.046 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -12.230 -49.134 3.940 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -12.875 -50.453 3.570 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -11.910 -50.787 6.717 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -11.198 -51.427 6.703 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -12.011 -50.520 5.803 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -11.557 -49.104 8.771 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -11.688 -49.580 7.950 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -12.156 -48.360 8.715 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -9.986 -33.909 6.625 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -9.801 -34.243 7.503 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -9.139 -33.600 6.303 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -7.641 -32.624 5.869 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -6.964 -33.256 5.629 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -7.319 -32.222 6.677 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -9.717 -32.564 1.919 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -10.174 -32.035 1.265 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -9.554 -31.961 2.644 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -7.390 -33.686 2.864 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -8.294 -33.521 2.598 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -6.961 -32.833 2.798 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -12.802 -34.249 0.127 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -12.589 -35.137 -0.160 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -12.737 -34.283 1.082 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -12.387 -50.024 -3.093 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -11.513 -49.636 -3.123 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -12.523 -50.239 -2.170 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -5.477 -49.968 -5.751 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -6.180 -49.354 -5.961 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -5.922 -50.806 -5.620 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -11.243 -47.944 -6.203 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -11.065 -48.590 -5.520 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -11.297 -47.110 -5.736 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -9.365 -32.995 -7.808 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -8.499 -32.629 -7.986 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -9.612 -33.435 -8.621 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -2.656 -33.432 -5.128 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -2.850 -34.180 -5.693 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -2.695 -32.674 -5.712 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -15.036 -50.086 8.147 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -14.137 -50.360 7.962 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -15.422 -50.829 8.611 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -7.888 -40.795 15.908 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -7.799 -39.851 15.776 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -8.527 -41.070 15.250 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -8.955 -41.540 19.327 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -8.993 -42.186 20.032 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -9.278 -42.006 18.556 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -10.566 -39.107 19.733 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -10.262 -39.793 19.139 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -9.844 -38.989 20.351 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -7.425 -44.713 20.061 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -7.282 -45.660 20.081 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -7.531 -44.506 19.132 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -6.548 -46.481 15.734 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -5.902 -46.810 16.359 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -6.038 -45.963 15.111 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -12.891 -40.018 21.695 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -13.631 -39.420 21.798 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -12.177 -39.464 21.379 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -4.784 -47.190 17.715 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -4.999 -47.956 18.247 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -4.128 -46.718 18.228 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -4.437 -48.475 21.394 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -5.173 -47.864 21.356 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -3.753 -48.060 20.868 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -9.167 -41.551 13.360 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -9.879 -41.016 13.009 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -8.476 -41.495 12.700 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -9.113 -43.093 10.399 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -8.412 -43.071 11.050 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -8.811 -43.721 9.743 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -12.749 -37.283 18.876 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -12.844 -37.861 18.119 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -12.020 -37.654 19.372 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -12.869 -37.543 24.545 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -13.181 -36.761 25.001 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -13.519 -37.696 23.859 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -6.890 -42.179 11.997 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -6.311 -42.029 12.744 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -6.476 -41.708 11.274 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -10.106 -36.258 24.041 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -10.019 -35.432 24.516 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -10.970 -36.588 24.290 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -9.692 -32.486 13.847 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -9.767 -32.607 12.901 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -9.659 -31.536 13.966 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -6.590 -33.332 10.850 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -6.215 -34.076 10.379 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -6.586 -33.602 11.768 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -6.176 -46.007 23.866 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -6.690 -46.133 24.663 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -6.331 -45.095 23.621 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -9.840 -47.270 10.297 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -10.094 -47.251 11.220 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -10.097 -48.142 9.996 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -8.541 -43.882 14.462 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -8.950 -43.067 14.170 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -7.821 -44.022 13.847 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -9.439 -43.707 25.950 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -10.002 -44.411 26.270 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -8.613 -43.827 26.417 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -7.537 -44.436 17.276 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -7.732 -43.831 16.561 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -7.355 -45.270 16.841 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -12.958 -46.825 9.398 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -13.389 -47.270 10.128 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -13.676 -46.453 8.886 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -8.273 -42.798 21.947 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -7.949 -43.429 21.304 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -8.713 -43.333 22.608 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -11.495 -46.871 16.731 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -12.406 -46.814 17.020 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -10.990 -46.931 17.542 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -7.090 -47.636 19.995 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -7.767 -47.505 20.659 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -7.576 -47.791 19.185 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -10.175 -44.083 18.618 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -9.611 -44.630 18.071 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -10.323 -44.605 19.407 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -11.005 -39.482 12.717 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -11.749 -39.989 12.394 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -11.139 -39.433 13.663 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -8.879 -38.023 11.742 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -9.174 -37.197 12.124 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -9.582 -38.643 11.938 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -11.855 -42.209 26.014 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -12.151 -42.375 25.119 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -10.924 -42.429 26.004 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -13.505 -36.669 15.891 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -12.978 -35.896 15.690 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -14.385 -36.444 15.589 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -12.078 -39.006 15.467 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -12.319 -38.081 15.509 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -12.818 -39.465 15.863 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -11.563 -34.857 21.782 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -11.200 -34.002 21.549 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -11.031 -35.149 22.523 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -13.394 -33.984 15.012 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -14.344 -33.879 15.064 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -13.043 -33.164 15.357 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -12.788 -37.147 11.460 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -12.641 -37.667 12.250 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -12.791 -36.240 11.766 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -8.503 -47.232 22.249 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -7.805 -47.158 22.899 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -8.884 -48.096 22.404 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -10.050 -35.449 12.209 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -10.867 -34.952 12.262 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -9.521 -34.974 11.569 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -10.519 -45.852 14.181 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -9.707 -45.348 14.227 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -10.764 -45.997 15.095 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -9.983 -44.866 23.366 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -9.864 -44.292 24.123 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -9.328 -45.554 23.481 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -9.635 -48.771 15.119 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -9.982 -48.153 15.764 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -8.977 -48.270 14.638 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -12.712 -34.406 12.191 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -12.551 -33.606 11.690 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -12.909 -34.099 13.076 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -13.978 -47.708 11.807 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -14.061 -46.819 12.153 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -13.088 -47.973 12.038 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -3.779 -46.959 24.201 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -4.695 -46.696 24.113 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -3.443 -46.962 23.304 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -9.687 -34.854 9.142 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -10.331 -35.485 9.464 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -8.925 -35.385 8.910 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -7.202 -35.982 26.496 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -7.553 -36.838 26.739 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -6.476 -35.839 27.103 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -5.083 -35.037 9.376 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -4.800 -35.831 9.829 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -4.343 -34.804 8.815 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -11.814 -39.501 26.534 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -12.142 -39.230 25.676 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -11.662 -40.442 26.446 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -8.776 -38.080 8.969 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -9.044 -37.900 9.870 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -8.982 -39.006 8.838 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -11.908 -42.912 9.802 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -12.088 -43.066 8.874 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -10.957 -42.804 9.846 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -11.356 -42.098 22.710 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -10.605 -42.254 22.137 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -11.695 -41.246 22.434 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -6.940 -44.283 27.738 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -6.748 -45.214 27.627 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -6.083 -43.858 27.728 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -10.868 -45.759 26.465 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -11.104 -45.979 27.367 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -11.651 -45.966 25.956 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -8.152 -46.632 25.541 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -9.100 -46.600 25.673 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -7.840 -47.257 26.195 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -6.518 -47.998 27.546 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -6.615 -48.950 27.540 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -6.840 -47.729 28.407 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -12.010 -32.221 10.803 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -11.077 -32.063 10.947 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -12.274 -31.546 10.178 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -3.360 -37.945 27.708 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -4.226 -38.050 28.102 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -2.984 -37.186 28.155 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -1.724 -48.124 25.986 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -2.641 -47.853 25.950 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -1.601 -48.659 25.202 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -9.986 -33.909 25.481 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -9.801 -34.243 26.359 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -9.139 -33.600 25.159 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -7.641 -32.624 24.725 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -6.964 -33.256 24.485 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -7.319 -32.222 25.533 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -2.723 -50.034 23.805 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -3.536 -49.709 23.417 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -2.490 -50.794 23.272 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -15.339 -34.719 18.135 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -15.558 -35.635 18.304 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -14.515 -34.579 18.601 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -12.802 -34.249 18.983 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -12.589 -35.137 18.696 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -12.737 -34.283 19.938 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -9.293 -48.585 18.128 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -9.968 -49.214 18.383 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -8.729 -49.069 17.525 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -4.151 -50.478 18.240 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -3.547 -49.930 17.739 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -5.020 -50.158 18.000 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -6.830 -49.994 17.412 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -6.754 -49.899 16.463 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -7.106 -50.902 17.541 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -11.243 -47.944 12.653 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -11.065 -48.590 13.336 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -11.297 -47.110 13.120 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -9.365 -32.995 11.048 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -8.499 -32.629 10.870 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -9.612 -33.435 10.235 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -9.113 -43.093 29.255 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -8.412 -43.071 29.906 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -8.811 -43.721 28.599 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -6.890 -42.179 30.853 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -6.311 -42.029 31.600 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -6.476 -41.708 30.130 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -2.002 -36.063 29.043 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -1.929 -35.124 29.213 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -1.097 -36.368 28.986 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -6.590 -33.332 29.706 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -6.215 -34.076 29.235 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -6.586 -33.602 30.624 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -5.413 -41.146 28.483 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -5.371 -41.369 27.553 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -4.564 -40.748 28.673 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -7.107 -46.668 29.772 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -8.045 -46.556 29.621 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -6.810 -45.811 30.078 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -6.389 -44.801 31.433 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -5.497 -44.938 31.752 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -6.332 -44.010 30.896 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -8.879 -38.023 30.598 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -9.174 -37.197 30.980 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -9.582 -38.643 30.794 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -1.504 -44.591 31.127 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -2.058 -44.987 30.455 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -1.403 -43.681 30.850 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -5.816 -37.829 29.413 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -5.463 -38.209 30.217 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -6.765 -37.922 29.499 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -1.312 -33.349 29.614 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -0.569 -32.763 29.474 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -2.007 -32.781 29.947 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -4.950 -39.156 31.639 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -5.227 -39.884 32.195 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -4.023 -39.037 31.845 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -11.725 -36.717 27.860 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -11.486 -37.465 27.312 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -11.994 -37.105 28.692 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -9.687 -34.854 27.998 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -10.331 -35.485 28.320 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -8.925 -35.385 27.766 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -5.083 -35.037 28.232 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -4.800 -35.831 28.685 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -4.343 -34.804 27.671 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -8.776 -38.080 27.825 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -9.044 -37.900 28.726 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -8.982 -39.006 27.694 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -11.908 -42.912 28.658 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -12.088 -43.066 27.730 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -10.957 -42.804 28.702 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -2.518 -40.557 28.103 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -2.791 -40.982 27.290 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -2.478 -39.626 27.886 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -2.059 -39.688 32.078 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -1.209 -39.267 32.206 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -2.054 -40.428 32.686 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -1.397 -41.734 30.293 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -1.918 -41.377 29.574 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -1.430 -41.059 30.971 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -3.048 -44.494 28.844 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -2.951 -43.827 28.164 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -3.188 -45.310 28.362 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -3.800 -47.086 27.961 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -3.190 -47.458 28.598 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -4.637 -47.508 28.157 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -1.903 -28.650 -17.118 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -1.854 -28.040 -16.382 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -1.477 -28.189 -17.841 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -4.784 -28.334 -19.997 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -4.999 -29.100 -19.465 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -4.128 -27.862 -19.484 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -3.640 -19.657 -14.124 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -3.500 -20.248 -14.863 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -3.472 -18.784 -14.480 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -1.798 -23.317 -16.058 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -2.450 -22.622 -15.969 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -1.333 -23.107 -16.868 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -5.864 -24.311 -14.332 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -5.784 -23.548 -13.760 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -6.465 -24.032 -15.023 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -1.085 -16.976 -12.547 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -1.134 -17.931 -12.584 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -1.911 -16.708 -12.145 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -3.933 -25.483 -12.067 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -4.340 -25.002 -12.787 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -3.892 -26.388 -12.374 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -9.502 -30.907 -14.700 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -9.082 -31.322 -13.947 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -10.435 -31.085 -14.583 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -6.176 -27.151 -13.846 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -6.690 -27.277 -13.049 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -6.331 -26.239 -14.091 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -7.090 -28.780 -17.717 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -7.767 -28.649 -17.053 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -7.576 -28.935 -18.527 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -3.855 -21.493 -16.209 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -3.213 -21.036 -16.752 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -4.685 -21.380 -16.671 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -1.540 -19.935 -12.604 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -2.392 -19.697 -12.971 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -0.950 -19.952 -13.357 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -8.503 -28.376 -15.463 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -7.805 -28.302 -14.813 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -8.884 -29.240 -15.308 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -7.202 -17.126 -11.216 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -7.553 -17.982 -10.973 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -6.476 -16.983 -10.609 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -6.079 -20.729 -13.795 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -5.334 -20.141 -13.915 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -6.836 -20.147 -13.732 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -8.670 -21.935 -10.539 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -7.717 -21.851 -10.567 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -8.830 -22.646 -9.920 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -6.940 -25.427 -9.974 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -6.748 -26.358 -10.085 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -6.083 -25.002 -9.984 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -5.624 -22.638 -11.896 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -5.905 -21.929 -12.474 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -4.681 -22.711 -12.047 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -8.152 -27.776 -12.171 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -9.100 -27.744 -12.039 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -7.840 -28.401 -11.517 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -6.518 -29.142 -10.166 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -6.615 -30.094 -10.172 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -6.840 -28.873 -9.305 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -1.906 -19.994 -17.718 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -1.072 -20.372 -17.999 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -1.794 -19.051 -17.837 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -3.022 -22.288 -12.464 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -2.439 -23.022 -12.273 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -2.458 -21.516 -12.418 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -3.556 -26.094 -18.205 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -2.623 -25.882 -18.239 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -3.791 -25.992 -17.282 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -3.527 -25.357 -15.429 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -4.370 -25.089 -15.063 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -3.084 -24.535 -15.640 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -4.151 -31.622 -19.472 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -3.547 -31.074 -19.973 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -5.020 -31.302 -19.712 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -2.424 -30.483 -21.138 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -1.812 -30.997 -21.665 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -2.041 -29.605 -21.115 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -6.830 -31.138 -20.300 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -6.754 -31.043 -21.249 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -7.106 -32.046 -20.171 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -6.614 -31.898 -10.527 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -6.538 -32.324 -9.673 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -5.721 -31.884 -10.869 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -3.438 -15.825 -11.834 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -4.220 -16.011 -12.354 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -3.510 -14.896 -11.617 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -7.888 -21.939 -2.948 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -7.799 -20.995 -3.080 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -8.527 -22.214 -3.606 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -5.249 -19.745 -1.227 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -5.690 -20.465 -0.777 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -5.262 -19.024 -0.597 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -6.548 -27.625 -3.122 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -5.902 -27.954 -2.497 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -6.038 -27.107 -3.745 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -8.091 -19.338 -3.905 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -8.387 -19.660 -4.756 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -8.415 -18.438 -3.863 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -4.784 -28.334 -1.141 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -4.999 -29.100 -0.609 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -4.128 -27.862 -0.628 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -4.737 -17.905 1.121 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -5.679 -17.847 1.282 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -4.461 -16.999 0.984 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -4.437 -29.619 2.538 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -5.173 -29.008 2.500 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -3.753 -29.204 2.012 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -11.434 -31.532 0.004 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -11.551 -32.481 -0.050 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -12.289 -31.200 0.277 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -6.485 -16.124 -2.254 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -6.060 -16.831 -2.739 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -6.168 -15.323 -2.671 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -5.326 -18.223 -3.745 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -5.583 -18.913 -4.357 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -5.255 -18.666 -2.900 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -3.640 -19.657 4.732 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -3.500 -20.248 3.993 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -3.472 -18.784 4.376 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -9.167 -22.695 -5.496 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -9.879 -22.160 -5.847 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -8.476 -22.639 -6.156 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -9.113 -24.237 -8.457 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -8.412 -24.215 -7.806 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -8.811 -24.865 -9.113 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -5.761 -22.485 -4.544 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -6.493 -22.257 -3.971 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -5.314 -23.199 -4.089 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -5.864 -24.311 4.524 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -5.784 -23.548 5.096 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -6.465 -24.032 3.833 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -6.890 -23.323 -6.859 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -6.311 -23.173 -6.112 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -6.476 -22.852 -7.582 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -3.192 -31.573 -7.046 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -4.091 -31.434 -6.751 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -2.940 -30.742 -7.448 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -2.002 -17.207 -8.669 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -1.929 -16.268 -8.499 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -1.097 -17.512 -8.726 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -1.085 -16.976 6.309 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -1.134 -17.931 6.272 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -1.911 -16.708 6.711 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -9.502 -30.907 4.156 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -9.082 -31.322 4.909 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -10.435 -31.085 4.273 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -6.176 -27.151 5.010 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -6.690 -27.277 5.807 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -6.331 -26.239 4.765 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -8.541 -25.026 -4.394 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -8.950 -24.211 -4.686 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -7.821 -25.166 -5.009 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -9.439 -24.851 7.094 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -10.002 -25.555 7.414 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -8.613 -24.971 7.561 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -7.537 -25.580 -1.580 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -7.732 -24.975 -2.295 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -7.355 -26.414 -2.015 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -7.090 -28.780 1.139 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -7.767 -28.649 1.803 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -7.576 -28.935 0.329 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -3.855 -21.493 2.647 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -3.213 -21.036 2.104 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -4.685 -21.380 2.185 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -7.107 -27.812 -7.940 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -8.045 -27.700 -8.091 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -6.810 -26.955 -7.634 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -6.389 -25.945 -6.279 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -5.497 -26.082 -5.960 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -6.332 -25.154 -6.816 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -8.879 -19.167 -7.114 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -9.174 -18.341 -6.732 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -9.582 -19.787 -6.918 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -11.855 -23.353 7.158 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -12.151 -23.519 6.263 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -10.924 -23.573 7.148 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -1.540 -19.935 6.252 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -2.392 -19.697 5.885 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -0.950 -19.952 5.499 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -3.208 -16.949 -6.120 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -3.581 -17.775 -5.810 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -2.931 -17.132 -7.017 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -6.048 -22.141 0.902 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -6.976 -22.373 0.875 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -5.597 -22.918 0.572 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -5.816 -18.973 -8.299 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -5.463 -19.353 -7.495 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -6.765 -19.066 -8.213 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -1.312 -14.493 -8.098 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -0.569 -13.907 -8.238 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -2.007 -13.925 -7.765 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -7.719 -28.724 -5.510 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -7.499 -28.252 -6.313 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -7.161 -28.329 -4.839 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -9.983 -26.010 4.510 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -9.864 -25.436 5.267 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -9.328 -26.698 4.625 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -9.635 -29.915 -3.737 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -9.982 -29.297 -3.092 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -8.977 -29.414 -4.218 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -3.779 -28.103 5.345 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -4.695 -27.840 5.257 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -3.443 -28.106 4.448 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -5.177 -24.352 -0.559 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -5.974 -24.767 -0.888 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -4.732 -25.043 -0.068 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -4.090 -15.096 1.063 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -4.246 -14.418 0.406 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -3.158 -15.024 1.266 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -5.083 -16.181 -9.480 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -4.800 -16.975 -9.027 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -4.343 -15.948 -10.041 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -8.776 -19.224 -9.887 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -9.044 -19.044 -8.986 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -8.982 -20.150 -10.018 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -6.079 -20.729 5.061 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -5.334 -20.141 4.941 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -6.836 -20.147 5.124 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -8.670 -21.935 8.317 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -7.717 -21.851 8.289 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -8.830 -22.646 8.936 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -5.624 -22.638 6.960 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -5.905 -21.929 6.382 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -4.681 -22.711 6.809 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -10.868 -26.903 7.609 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -11.104 -27.123 8.511 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -11.651 -27.110 7.100 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -8.152 -27.776 6.685 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -9.100 -27.744 6.817 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -7.840 -28.401 7.339 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -11.557 -30.248 8.771 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -11.688 -30.724 7.950 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -12.156 -29.504 8.715 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -1.811 -14.879 4.214 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -2.298 -15.614 3.843 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -1.262 -15.272 4.892 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -3.360 -19.089 8.852 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -4.226 -19.194 9.246 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -2.984 -18.330 9.299 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -3.419 -17.116 3.445 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -4.067 -16.791 4.070 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -3.937 -17.556 2.770 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -3.878 -24.258 -3.247 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -4.028 -25.203 -3.267 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -4.232 -23.977 -2.403 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -3.022 -22.288 6.392 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -2.439 -23.022 6.583 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -2.458 -21.516 6.438 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -3.800 -28.230 -9.751 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -3.190 -28.602 -9.114 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -4.637 -28.652 -9.555 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -4.168 -26.675 -4.785 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -3.888 -27.582 -4.660 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -3.409 -26.241 -5.174 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -3.556 -26.094 0.651 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -2.623 -25.882 0.617 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -3.791 -25.992 1.574 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -3.527 -25.357 3.427 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -4.370 -25.089 3.793 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -3.084 -24.535 3.216 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -3.554 -29.412 -4.736 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -3.372 -29.861 -3.911 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -4.154 -29.997 -5.200 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -4.636 -14.356 -3.136 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -3.983 -14.703 -3.744 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -4.125 -13.867 -2.490 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -4.785 -13.260 3.159 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -4.967 -12.344 2.948 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -4.609 -13.670 2.312 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -9.293 -29.729 -0.728 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -9.968 -30.358 -0.473 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -8.729 -30.213 -1.331 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -4.151 -31.622 -0.616 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -3.547 -31.074 -1.117 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -5.020 -31.302 -0.856 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -2.424 -30.483 -2.282 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -1.812 -30.997 -2.809 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -2.041 -29.605 -2.259 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -6.830 -31.138 -1.444 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -6.754 -31.043 -2.393 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -7.106 -32.046 -1.315 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -5.477 -31.112 -5.751 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -6.180 -30.498 -5.961 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -5.922 -31.950 -5.620 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -2.656 -14.576 -5.128 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -2.850 -15.324 -5.693 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -2.695 -13.818 -5.712 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -6.614 -31.898 8.329 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -6.538 -32.324 9.183 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -5.721 -31.884 7.987 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -8.955 -22.684 19.327 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -8.993 -23.330 20.032 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -9.278 -23.150 18.556 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -8.138 -14.640 17.841 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -7.518 -15.317 17.568 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -8.346 -14.858 18.749 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -10.566 -20.251 19.733 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -10.262 -20.937 19.139 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -9.844 -20.133 20.351 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -14.270 -27.756 17.333 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -14.227 -26.896 16.915 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -14.728 -28.308 16.700 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -12.494 -23.809 17.311 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -11.878 -24.335 17.820 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -13.080 -24.449 16.907 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -8.091 -19.338 14.951 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -8.387 -19.660 14.100 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -8.415 -18.438 14.993 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -12.891 -21.162 21.695 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -13.631 -20.564 21.798 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -12.177 -20.608 21.379 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -11.434 -31.532 18.860 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -11.551 -32.481 18.806 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -12.289 -31.200 19.133 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -6.485 -16.124 16.602 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -6.060 -16.831 16.117 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -6.168 -15.323 16.185 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -5.326 -18.223 15.111 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -5.583 -18.913 14.499 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -5.255 -18.666 15.956 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -9.167 -22.695 13.360 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -9.879 -22.160 13.009 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -8.476 -22.639 12.700 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -13.749 -23.086 19.828 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -13.184 -22.965 19.065 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -13.430 -22.449 20.467 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -7.440 -17.583 20.562 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -7.681 -16.921 21.210 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -7.638 -18.417 20.987 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -12.869 -18.687 24.545 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -13.181 -17.905 25.001 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -13.519 -18.840 23.859 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -6.890 -23.323 11.997 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -6.311 -23.173 12.744 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -6.476 -22.852 11.274 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -9.164 -16.586 15.432 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -8.690 -16.291 16.210 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -9.727 -15.848 15.199 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -2.002 -17.207 10.187 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -1.929 -16.268 10.357 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -1.097 -17.512 10.130 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -10.106 -17.402 24.041 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -10.019 -16.576 24.516 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -10.970 -17.732 24.290 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -6.590 -14.476 10.850 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -6.215 -15.220 10.379 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -6.586 -14.746 11.768 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -6.921 -14.550 13.599 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -7.856 -14.450 13.778 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -6.641 -15.259 14.177 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -14.165 -30.629 19.638 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -15.026 -30.716 19.230 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -14.187 -29.773 20.065 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -9.502 -30.907 23.012 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -9.082 -31.322 23.765 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -10.435 -31.085 23.129 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -5.413 -22.290 9.627 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -5.371 -22.513 8.697 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -4.564 -21.892 9.817 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -14.074 -25.663 20.733 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -14.716 -25.704 21.442 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -14.037 -24.737 20.495 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -14.077 -25.442 15.645 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -14.970 -25.783 15.586 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -13.626 -25.819 14.889 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -12.958 -27.969 9.398 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -13.389 -28.414 10.128 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -13.676 -27.597 8.886 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -11.495 -28.015 16.731 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -12.406 -27.958 17.020 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -10.990 -28.075 17.542 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -13.014 -26.386 13.214 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -12.082 -26.257 13.392 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -13.229 -25.716 12.565 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -14.340 -25.191 10.781 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -14.882 -25.571 10.090 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -13.506 -24.997 10.352 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -15.173 -29.091 15.036 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -15.490 -29.993 15.001 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -14.392 -29.089 14.484 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -11.549 -26.839 21.032 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -12.384 -26.385 21.142 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -11.025 -26.563 21.784 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -11.005 -20.626 12.717 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -11.749 -21.133 12.394 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -11.139 -20.577 13.663 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -8.879 -19.167 11.742 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -9.174 -18.341 12.124 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -9.582 -19.787 11.938 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -11.855 -23.353 26.014 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -12.151 -23.519 25.119 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -10.924 -23.573 26.004 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -1.540 -19.935 25.108 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -2.392 -19.697 24.741 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -0.950 -19.952 24.355 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -11.563 -16.001 21.782 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -11.200 -15.146 21.549 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -11.031 -16.293 22.523 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -5.816 -18.973 10.557 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -5.463 -19.353 11.361 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -6.765 -19.066 10.643 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -1.312 -14.493 10.758 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -0.569 -13.907 10.618 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -2.007 -13.925 11.091 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -9.983 -26.010 23.366 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -9.864 -25.436 24.123 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -9.328 -26.698 23.481 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -13.978 -28.852 11.807 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -14.061 -27.963 12.153 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -13.088 -29.117 12.038 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -7.202 -17.126 26.496 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -7.553 -17.982 26.739 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -6.476 -16.983 27.103 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -5.083 -16.181 9.376 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -4.800 -16.975 9.829 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -4.343 -15.948 8.815 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -11.814 -20.645 26.534 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -12.142 -20.374 25.676 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -11.662 -21.586 26.446 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -12.979 -22.299 11.539 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -13.438 -22.783 12.225 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -12.724 -22.967 10.903 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -13.690 -24.406 23.895 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -14.308 -23.731 24.176 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -13.346 -24.085 23.062 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -11.908 -24.056 9.802 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -12.088 -24.210 8.874 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -10.957 -23.948 9.846 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -2.518 -21.701 9.247 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -2.791 -22.126 8.434 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -2.478 -20.770 9.030 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -13.350 -27.051 24.978 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -13.200 -27.780 24.375 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -13.348 -26.274 24.419 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -12.938 -28.681 22.470 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -12.402 -28.230 21.818 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -13.790 -28.789 22.048 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -11.356 -23.242 22.710 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -10.605 -23.398 22.137 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -11.695 -22.390 22.434 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -12.132 -31.225 22.902 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -12.230 -30.278 22.796 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -12.875 -31.597 22.426 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -10.868 -26.903 26.465 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -11.104 -27.123 27.367 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -11.651 -27.110 25.956 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -8.152 -27.776 25.541 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -9.100 -27.744 25.673 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -7.840 -28.401 26.195 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -6.518 -29.142 27.546 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -6.615 -30.094 27.540 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -6.840 -28.873 28.407 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -3.360 -19.089 27.708 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -4.226 -19.194 28.102 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -2.984 -18.330 28.155 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -1.244 -31.377 27.637 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -0.894 -32.031 27.031 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -1.097 -30.540 27.197 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -9.986 -15.053 25.481 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -9.801 -15.387 26.359 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -9.139 -14.744 25.159 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -9.717 -13.708 20.775 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -10.174 -13.179 20.121 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -9.554 -13.105 21.500 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -12.387 -31.168 15.763 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -11.513 -30.780 15.733 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -12.523 -31.383 16.686 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -6.614 -31.898 27.185 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -6.538 -32.324 28.039 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -5.721 -31.884 26.843 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -9.167 -22.695 32.216 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -9.879 -22.160 31.865 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -8.476 -22.639 31.556 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -9.113 -24.237 29.255 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -8.412 -24.215 29.906 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -8.811 -24.865 28.599 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -6.890 -23.323 30.853 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -6.311 -23.173 31.600 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -6.476 -22.852 30.130 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -3.192 -31.573 30.666 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -4.091 -31.434 30.961 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -2.940 -30.742 30.264 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -2.002 -17.207 29.043 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -1.929 -16.268 29.213 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -1.097 -17.512 28.986 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -6.590 -14.476 29.706 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -6.215 -15.220 29.235 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -6.586 -14.746 30.624 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -9.840 -28.414 29.153 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -10.094 -28.395 30.076 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -10.097 -29.286 28.852 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -11.005 -20.626 31.573 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -11.749 -21.133 31.250 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -11.139 -20.577 32.519 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -7.107 -27.812 29.772 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -8.045 -27.700 29.621 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -6.810 -26.955 30.078 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -6.389 -25.945 31.433 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -5.497 -26.082 31.752 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -6.332 -25.154 30.896 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -8.879 -19.167 30.598 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -9.174 -18.341 30.980 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -9.582 -19.787 30.794 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -1.504 -25.735 31.127 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -2.058 -26.131 30.455 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -1.403 -24.825 30.850 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -3.208 -16.949 31.592 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -3.581 -17.775 31.902 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -2.931 -17.132 30.695 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -5.816 -18.973 29.413 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -5.463 -19.353 30.217 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -6.765 -19.066 29.499 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -1.312 -14.493 29.614 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -0.569 -13.907 29.474 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -2.007 -13.925 29.947 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -4.950 -20.300 31.639 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -5.227 -21.028 32.195 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -4.023 -20.181 31.845 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -11.725 -17.861 27.860 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -11.486 -18.609 27.312 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -11.994 -18.249 28.692 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -9.687 -15.998 27.998 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -10.331 -16.629 28.320 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -8.925 -16.529 27.766 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -5.083 -16.181 28.232 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -4.800 -16.975 28.685 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -4.343 -15.948 27.671 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -14.128 -20.271 28.089 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -14.064 -21.065 28.620 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -13.475 -20.390 27.400 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -8.776 -19.224 27.825 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -9.044 -19.044 28.726 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -8.982 -20.150 27.694 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -12.979 -22.299 30.395 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -13.438 -22.783 31.081 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -12.724 -22.967 29.759 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -11.908 -24.056 28.658 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -12.088 -24.210 27.730 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -10.957 -23.948 28.702 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -2.518 -21.701 28.103 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -2.791 -22.126 27.290 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -2.478 -20.770 27.886 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -2.059 -20.832 32.078 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -1.209 -20.411 32.206 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -2.054 -21.572 32.686 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -1.397 -22.878 30.293 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -1.918 -22.521 29.574 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -1.430 -22.203 30.971 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -3.048 -25.638 28.844 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -2.951 -24.971 28.164 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -3.188 -26.454 28.362 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -3.800 -28.230 27.961 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -3.190 -28.602 28.598 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -4.637 -28.652 28.157 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -1.688 -29.345 29.504 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -1.275 -30.066 29.028 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -1.006 -28.675 29.562 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -9.365 -14.139 29.904 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -8.499 -13.773 29.726 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -9.612 -14.579 29.091 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -4.151 -12.766 -0.616 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -3.547 -12.218 -1.117 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -5.020 -12.446 -0.856 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -2.424 -11.627 -2.282 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -1.812 -12.141 -2.809 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -2.041 -10.749 -2.259 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -7.425 -7.001 20.061 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -7.282 -7.948 20.081 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -7.531 -6.794 19.132 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -6.548 -8.769 15.734 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -5.902 -9.098 16.359 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -6.038 -8.251 15.111 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -4.784 -9.478 17.715 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -4.999 -10.244 18.247 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -4.128 -9.006 18.228 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -4.437 -10.763 21.394 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -5.173 -10.152 21.356 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -3.753 -10.348 20.868 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -3.640 -0.801 23.588 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -3.500 -1.392 22.849 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -3.472 0.072 23.232 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -5.864 -5.455 23.380 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -5.784 -4.692 23.952 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -6.465 -5.176 22.689 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -3.192 -12.717 11.810 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -4.091 -12.578 12.105 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -2.940 -11.886 11.408 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -3.933 -6.627 25.645 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -4.340 -6.146 24.925 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -3.892 -7.532 25.338 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -9.502 -12.051 23.012 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -9.082 -12.466 23.765 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -10.435 -12.229 23.129 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -6.176 -8.295 23.866 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -6.690 -8.421 24.663 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -6.331 -7.383 23.621 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -7.537 -6.724 17.276 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -7.732 -6.119 16.561 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -7.355 -7.558 16.841 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -7.090 -9.924 19.995 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -7.767 -9.793 20.659 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -7.576 -10.079 19.185 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -3.855 -2.637 21.503 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -3.213 -2.180 20.960 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -4.685 -2.524 21.041 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -1.504 -6.879 12.271 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -2.058 -7.275 11.599 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -1.403 -5.969 11.994 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -1.540 -1.079 25.108 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -2.392 -0.841 24.741 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -0.950 -1.096 24.355 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -6.048 -3.285 19.758 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -6.976 -3.517 19.731 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -5.597 -4.062 19.428 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -8.503 -9.520 22.249 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -7.805 -9.446 22.899 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -8.884 -10.384 22.404 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -3.779 -9.247 24.201 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -4.695 -8.984 24.113 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -3.443 -9.250 23.304 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -5.177 -5.496 18.297 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -5.974 -5.911 17.968 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -4.732 -6.187 18.788 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -5.624 -3.782 25.816 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -5.905 -3.073 25.238 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -4.681 -3.855 25.665 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -8.152 -8.920 25.541 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -9.100 -8.888 25.673 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -7.840 -9.545 26.195 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -6.518 -10.286 27.546 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -6.615 -11.238 27.540 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -6.840 -10.017 28.407 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -11.910 -13.075 25.573 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -11.198 -13.715 25.559 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -12.011 -12.808 24.659 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -1.665 -3.923 15.046 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -2.391 -4.402 15.444 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -1.084 -3.717 15.778 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -1.906 -1.138 19.994 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -1.072 -1.516 19.713 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -1.794 -0.195 19.875 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -3.878 -5.402 15.609 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -4.028 -6.347 15.589 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -4.232 -5.121 16.453 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -3.022 -3.432 25.248 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -2.439 -4.166 25.439 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -2.458 -2.660 25.294 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -1.525 -5.529 25.932 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -2.388 -5.908 25.767 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -0.921 -6.268 25.858 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -4.168 -7.819 14.071 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -3.888 -8.726 14.196 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -3.409 -7.385 13.682 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 -3.527 -6.501 22.283 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 -4.370 -6.233 22.649 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 -3.084 -5.679 22.072 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 -1.244 -12.521 27.637 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 -0.894 -13.175 27.031 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 -1.097 -11.684 27.197 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 -3.554 -10.556 14.120 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 -3.372 -11.005 14.945 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 -4.154 -11.141 13.656 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 -1.724 -10.412 25.986 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 -2.641 -10.141 25.950 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 -1.601 -10.947 25.202 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 -1.688 -10.489 10.648 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 -1.275 -11.210 10.172 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 -1.006 -9.819 10.706 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 -6.830 -12.282 17.412 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 -6.754 -12.187 16.463 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 -7.106 -13.190 17.541 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 -5.477 -12.256 13.105 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 -6.180 -11.642 12.895 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 -5.922 -13.094 13.236 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 -6.614 -13.042 27.185 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 -6.538 -13.468 28.039 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 -5.721 -13.028 26.843 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 -3.192 -12.717 30.666 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 -4.091 -12.578 30.961 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 -2.940 -11.886 30.264 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 -2.518 -2.845 28.103 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 -2.791 -3.270 27.290 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 -2.478 -1.914 27.886 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 -3.048 -6.782 28.844 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 -2.951 -6.115 28.164 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 -3.188 -7.598 28.362 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 -3.800 -9.374 27.961 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 -3.190 -9.746 28.598 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 -4.637 -9.796 28.157 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 -1.688 -10.489 29.504 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 -1.275 -11.210 29.028 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 -1.006 -9.819 29.562 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 15.216 -57.369 -14.124 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 15.356 -57.960 -14.863 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 15.384 -56.496 -14.480 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 11.416 -55.295 -17.150 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 11.175 -54.633 -16.502 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 11.218 -56.129 -16.725 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 4.226 -54.327 -12.403 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 4.234 -54.463 -13.351 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 3.310 -54.445 -12.151 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 -0.426 -55.354 -18.229 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 0.520 -55.498 -18.248 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 -0.539 -54.570 -17.692 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 17.771 -54.688 -12.547 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 17.722 -55.643 -12.584 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 16.945 -54.420 -12.145 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 8.750 -55.114 -13.671 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 8.837 -54.288 -13.196 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 7.886 -55.444 -13.422 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 2.072 -56.811 -14.070 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 2.289 -57.172 -13.210 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 1.217 -57.185 -14.280 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 9.371 -58.154 -13.758 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 9.025 -58.535 -12.952 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 9.171 -57.220 -13.687 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 11.621 -55.692 -13.808 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 10.720 -55.509 -14.076 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 11.655 -55.433 -12.887 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 7.293 -53.713 -15.930 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 7.656 -52.858 -16.163 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 7.825 -54.005 -15.189 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 1.269 -54.024 -15.918 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 1.486 -54.956 -15.949 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 1.516 -53.750 -15.034 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 14.766 -52.808 -17.793 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 14.610 -52.130 -18.450 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 15.698 -52.736 -17.590 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 5.077 -53.218 -9.945 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 5.845 -53.677 -9.604 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 5.056 -53.444 -10.875 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 0.387 -58.327 -10.611 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 0.531 -59.229 -10.897 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 -0.386 -58.041 -11.099 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 12.777 -58.441 -13.795 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 13.522 -57.853 -13.915 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 12.020 -57.859 -13.732 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 17.045 -52.591 -14.642 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 16.558 -53.326 -15.013 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 17.594 -52.984 -13.964 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 15.496 -56.801 -10.004 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 14.630 -56.906 -9.610 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 15.872 -56.042 -9.557 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 15.437 -54.828 -15.411 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 14.789 -54.503 -14.786 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 14.919 -55.268 -16.086 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 1.605 -55.139 -11.449 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 0.784 -54.964 -11.909 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 1.353 -55.212 -10.528 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 4.559 -54.164 -15.190 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 4.134 -53.355 -15.473 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 5.464 -54.079 -15.492 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 4.428 -51.308 -16.113 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 3.563 -51.236 -15.709 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 4.373 -50.761 -16.897 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 9.139 -51.420 -16.937 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 8.682 -50.891 -17.591 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 9.302 -50.817 -16.212 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 11.466 -52.542 -15.992 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 10.562 -52.377 -16.258 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 11.895 -51.689 -16.058 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 14.071 -50.972 -15.697 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 13.889 -50.056 -15.908 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 14.247 -51.382 -16.544 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 1.376 -52.285 -18.232 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 1.357 -52.710 -17.375 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 2.181 -52.603 -18.641 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 15.418 -53.537 -11.834 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 14.636 -53.723 -12.354 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 15.346 -52.608 -11.617 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 10.968 -59.651 -2.948 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 11.057 -58.707 -3.080 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 10.329 -59.926 -3.606 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 9.901 -60.396 0.471 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 9.863 -61.042 1.176 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 9.578 -60.862 -0.300 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 2.269 -60.781 2.064 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 2.311 -61.407 2.788 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 2.972 -60.158 2.246 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 0.513 -60.509 -1.882 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 0.727 -61.279 -1.355 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 1.251 -60.420 -2.485 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 11.431 -63.569 1.205 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 11.574 -64.516 1.225 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 11.325 -63.362 0.276 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 1.206 -63.071 -0.761 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 1.860 -63.621 -0.329 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 1.230 -63.345 -1.677 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 6.362 -61.521 -1.545 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 6.978 -62.047 -1.036 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 5.776 -62.161 -1.949 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 5.965 -58.874 2.839 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 5.225 -58.276 2.942 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 6.679 -58.320 2.523 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 0.494 -57.239 -5.592 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 0.222 -57.010 -6.481 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 0.539 -56.401 -5.132 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 9.689 -60.407 -5.496 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 8.977 -59.872 -5.847 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 10.380 -60.351 -6.156 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 17.058 -61.029 2.798 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 16.406 -60.334 2.887 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 17.523 -60.819 1.988 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 13.095 -60.197 -4.544 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 12.363 -59.969 -3.971 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 13.542 -60.911 -4.089 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 12.992 -62.023 4.524 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 13.072 -61.260 5.096 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 12.391 -61.744 3.833 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 4.740 -59.567 -2.661 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 4.410 -59.937 -3.480 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 5.328 -60.237 -2.315 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 5.107 -60.798 0.972 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 5.672 -60.677 0.209 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 5.426 -60.161 1.611 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 2.907 -60.201 4.918 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 2.977 -59.550 5.616 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 2.016 -60.098 4.583 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 3.730 -60.497 -5.072 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 3.438 -59.729 -5.563 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 3.056 -61.157 -5.235 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 16.854 -54.919 -8.669 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 16.927 -53.980 -8.499 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 17.759 -55.224 -8.726 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 14.923 -63.195 6.789 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 14.516 -62.714 6.069 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 14.964 -64.100 6.482 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 12.680 -64.863 5.010 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 12.166 -64.989 5.807 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 12.525 -63.951 4.765 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 4.782 -63.375 1.877 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 4.140 -63.416 2.586 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 4.819 -62.449 1.639 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 4.779 -63.154 -3.211 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 3.886 -63.495 -3.270 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 5.230 -63.531 -3.967 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 9.417 -62.563 7.094 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 8.854 -63.267 7.414 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 10.243 -62.683 7.561 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 11.319 -63.292 -1.580 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 11.124 -62.687 -2.295 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 11.501 -64.126 -2.015 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 2.532 -63.055 3.744 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 2.494 -62.655 4.612 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 2.041 -63.872 3.834 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 10.583 -61.654 3.091 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 10.907 -62.285 2.448 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 10.143 -62.189 3.752 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 2.651 -58.346 7.024 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 3.384 -58.092 7.585 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 1.871 -58.142 7.539 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 8.681 -62.939 -0.238 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 9.245 -63.486 -0.785 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 8.533 -63.461 0.551 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 7.851 -58.338 -6.139 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 7.107 -58.845 -6.462 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 7.717 -58.289 -5.193 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 9.371 -58.154 5.098 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 9.025 -58.535 5.904 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 9.171 -57.220 5.169 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 2.976 -59.043 -0.370 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 3.721 -59.045 -0.971 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 3.054 -59.867 0.112 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 9.977 -56.879 -7.114 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 9.682 -56.053 -6.732 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 9.274 -57.499 -6.918 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 7.001 -61.065 7.158 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 6.705 -61.231 6.263 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 7.932 -61.285 7.148 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 13.040 -56.685 -8.299 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 13.393 -57.065 -7.495 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 12.091 -56.778 -8.213 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 17.544 -52.205 -8.098 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 18.287 -51.619 -8.238 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 16.849 -51.637 -7.765 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 1.618 -65.829 4.503 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 0.725 -65.490 4.436 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 1.519 -66.684 4.921 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 13.906 -58.012 -6.073 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 13.629 -58.740 -5.517 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 14.833 -57.893 -5.867 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 7.131 -55.573 -9.852 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 7.370 -56.321 -10.400 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 6.862 -55.961 -9.020 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 6.068 -56.003 -7.396 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 6.215 -56.523 -6.606 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 6.065 -55.096 -7.090 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 2.521 -58.750 -6.886 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 1.835 -58.398 -6.319 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 3.044 -57.987 -7.132 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 8.806 -54.305 -6.647 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 7.989 -53.808 -6.594 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 9.335 -53.830 -7.287 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 6.144 -53.262 -6.665 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 6.305 -52.462 -7.166 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 5.947 -52.955 -5.780 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 13.679 -62.064 -0.559 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 12.882 -62.479 -0.888 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 14.124 -62.755 -0.068 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 3.137 -56.136 -7.989 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 3.729 -55.437 -7.713 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 3.596 -56.569 -8.708 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 1.191 -54.750 -4.039 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 0.359 -54.277 -4.012 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 1.737 -54.240 -4.638 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 11.654 -54.838 7.640 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 11.303 -55.694 7.883 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 12.380 -54.695 8.247 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 13.773 -53.893 -9.480 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 14.056 -54.687 -9.027 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 14.513 -53.660 -10.041 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 10.080 -56.936 -9.887 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 9.812 -56.756 -8.986 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 9.874 -57.862 -10.018 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 1.219 -61.127 7.665 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 1.627 -61.984 7.544 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 0.959 -61.112 8.586 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 5.877 -60.011 -7.317 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 5.418 -60.495 -6.631 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 6.132 -60.679 -7.953 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 5.166 -62.118 5.039 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 4.548 -61.443 5.320 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 5.510 -61.797 4.206 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 10.186 -59.647 8.317 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 11.139 -59.563 8.289 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 10.026 -60.358 8.936 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 7.500 -60.954 3.854 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 8.251 -61.110 3.281 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 7.161 -60.102 3.578 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 13.232 -60.350 6.960 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 12.951 -59.641 6.382 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 14.175 -60.423 6.809 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 0.414 -56.441 -8.570 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 1.328 -56.362 -8.297 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 0.421 -57.128 -9.237 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 15.496 -56.801 8.852 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 14.630 -56.906 9.246 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 15.872 -56.042 9.299 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 16.797 -58.544 -5.634 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 17.647 -58.123 -5.506 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 16.802 -59.284 -5.026 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 17.191 -60.491 -3.810 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 16.465 -60.970 -3.412 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 17.772 -60.285 -3.078 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 14.978 -61.970 -3.247 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 14.828 -62.915 -3.267 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 14.624 -61.689 -2.403 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 0.013 -59.892 0.763 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 0.197 -59.974 -0.172 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 0.862 -60.016 1.187 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 15.834 -60.000 6.392 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 16.417 -60.734 6.583 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 16.398 -59.228 6.438 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 17.331 -62.097 7.076 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 16.468 -62.476 6.911 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 17.935 -62.836 7.002 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 15.300 -63.806 0.651 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 16.233 -63.594 0.617 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 15.065 -63.704 1.574 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 15.329 -63.069 3.427 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 14.486 -62.801 3.793 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 15.772 -62.247 3.216 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 -0.389 -64.621 6.904 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 0.530 -64.743 7.140 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 -0.839 -65.371 7.293 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 -0.864 -63.310 0.864 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 -0.372 -63.531 0.074 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 -0.502 -62.469 1.145 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 0.627 -53.061 -6.205 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 -0.058 -53.099 -6.873 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 0.630 -52.148 -5.917 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 10.968 -59.651 15.908 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 11.057 -58.707 15.776 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 10.329 -59.926 15.250 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 13.607 -57.457 17.629 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 13.166 -58.177 18.079 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 13.594 -56.736 18.259 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 3.193 -56.331 19.455 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 2.823 -57.133 19.086 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 4.134 -56.500 19.502 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 0.513 -60.509 16.974 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 0.727 -61.279 17.501 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 1.251 -60.420 16.371 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 8.290 -57.963 19.733 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 8.594 -58.649 19.139 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 9.012 -57.845 20.351 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 6.362 -61.521 17.311 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 6.978 -62.047 17.820 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 5.776 -62.161 16.907 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 10.765 -57.050 14.951 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 10.469 -57.372 14.100 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 10.441 -56.150 14.993 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 4.373 -56.910 22.482 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 4.367 -56.031 22.104 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 3.519 -56.993 22.907 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 0.494 -57.239 13.264 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 0.222 -57.010 12.375 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 0.539 -56.401 13.724 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 14.119 -55.617 19.977 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 13.177 -55.559 20.138 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 14.395 -54.711 19.840 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 12.371 -53.836 16.602 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 12.796 -54.543 16.117 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 12.688 -53.035 16.185 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 13.530 -55.935 15.111 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 13.273 -56.625 14.499 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 13.601 -56.378 15.956 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 9.689 -60.407 13.360 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 8.977 -59.872 13.009 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 10.380 -60.351 12.700 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 9.743 -61.949 10.399 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 10.444 -61.927 11.050 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 10.045 -62.577 9.743 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 4.740 -59.567 16.195 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 4.410 -59.937 15.376 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 5.328 -60.237 16.541 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 6.107 -56.139 18.876 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 6.012 -56.717 18.119 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 6.836 -56.510 19.372 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 11.416 -55.295 20.562 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 11.175 -54.633 21.210 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 11.218 -56.129 20.987 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 11.966 -61.035 11.997 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 12.545 -60.885 12.744 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 12.380 -60.564 11.274 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 3.730 -60.497 13.784 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 3.438 -59.729 13.293 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 3.056 -61.157 13.621 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 -0.177 -58.134 22.599 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 -0.678 -58.162 21.784 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 -0.171 -59.040 22.909 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 8.750 -55.114 24.041 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 8.837 -54.288 24.516 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 7.886 -55.444 24.290 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 12.266 -52.188 10.850 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 12.641 -52.932 10.379 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 12.270 -52.458 11.768 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 11.935 -52.262 13.599 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 11.000 -52.162 13.778 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 12.215 -52.971 14.177 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 2.072 -56.811 23.642 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 2.289 -57.172 24.502 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 1.217 -57.185 23.432 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 13.443 -60.002 9.627 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 13.485 -60.225 8.697 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 14.292 -59.604 9.817 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 4.516 -62.903 10.781 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 3.974 -63.283 10.090 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 5.350 -62.709 10.352 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 15.053 -50.820 26.272 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 15.253 -50.396 25.437 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 15.709 -50.477 26.879 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 2.976 -59.043 18.486 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 3.721 -59.045 17.885 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 3.054 -59.867 18.968 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 11.621 -55.692 23.904 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 10.720 -55.509 23.636 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 11.655 -55.433 24.825 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 15.648 -54.661 12.736 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 15.275 -55.487 13.046 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 15.925 -54.844 11.839 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 1.106 -60.663 10.478 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 1.722 -60.036 10.857 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 0.244 -60.347 10.749 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 6.778 -57.862 15.467 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 6.537 -56.937 15.509 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 6.038 -58.321 15.863 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 7.293 -53.713 21.782 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 7.656 -52.858 21.549 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 7.825 -54.005 22.523 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 10.837 -57.614 21.483 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 10.411 -57.841 22.309 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 11.418 -58.352 21.300 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 13.040 -56.685 10.557 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 13.393 -57.065 11.361 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 12.091 -56.778 10.643 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 13.496 -53.062 23.952 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 12.894 -53.617 23.457 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 13.777 -52.395 23.326 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 17.544 -52.205 10.758 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 18.287 -51.619 10.618 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 16.849 -51.637 11.091 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 13.906 -58.012 12.783 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 13.629 -58.740 13.339 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 14.833 -57.893 12.989 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 1.269 -54.024 21.794 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 1.486 -54.956 21.763 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 1.516 -53.750 22.678 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 2.521 -58.750 11.970 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 1.835 -58.398 12.537 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 3.044 -57.987 11.724 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 11.654 -54.838 26.496 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 11.303 -55.694 26.739 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 12.380 -54.695 27.103 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 13.773 -53.893 9.376 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 14.056 -54.687 9.829 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 14.513 -53.660 8.815 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 4.728 -57.983 9.233 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 4.792 -58.777 9.764 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 5.381 -58.102 8.544 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 10.080 -56.936 8.969 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 9.812 -56.756 9.870 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 9.874 -57.862 8.838 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 5.877 -60.011 11.539 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 5.418 -60.495 12.225 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 6.132 -60.679 10.903 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 6.948 -61.768 9.802 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 6.768 -61.922 8.874 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 7.899 -61.660 9.846 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 16.338 -59.413 9.247 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 16.065 -59.838 8.434 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 16.378 -58.482 9.030 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 17.482 -52.158 20.148 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 17.460 -51.973 21.087 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 18.172 -51.589 19.807 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 17.045 -52.591 23.070 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 16.558 -53.326 22.699 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 17.594 -52.984 23.748 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 15.437 -54.828 22.301 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 14.789 -54.503 22.926 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 14.919 -55.268 21.626 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 17.459 -60.590 11.437 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 16.938 -60.233 10.718 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 17.426 -59.915 12.115 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 0.013 -59.892 19.619 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 0.197 -59.974 18.684 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 0.862 -60.016 20.043 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 14.220 -52.068 15.720 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 14.873 -52.415 15.112 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 14.731 -51.579 16.366 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 4.559 -54.164 22.522 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 4.134 -53.355 22.239 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 5.464 -54.079 22.220 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 8.870 -52.765 25.481 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 9.055 -53.099 26.359 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 9.717 -52.456 25.159 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 11.215 -51.480 24.725 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 11.892 -52.112 24.485 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 11.537 -51.078 25.533 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 1.961 -50.908 22.569 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 1.241 -50.468 22.118 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 1.595 -51.159 23.418 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 4.428 -51.308 21.599 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 3.563 -51.236 22.003 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 4.373 -50.761 20.815 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 16.200 -52.288 13.728 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 16.006 -53.036 13.163 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 16.161 -51.530 13.144 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 15.418 -53.537 25.878 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 14.636 -53.723 25.358 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 15.346 -52.608 26.095 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 9.901 -41.540 -18.385 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 9.863 -42.186 -17.680 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 9.578 -42.006 -19.156 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 -0.197 -43.815 -22.864 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 -0.645 -42.969 -22.882 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 -0.758 -44.395 -23.379 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 10.718 -33.496 -19.871 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 11.338 -34.173 -20.144 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 10.510 -33.714 -18.963 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 8.290 -39.107 -17.979 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 8.594 -39.793 -18.573 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 9.012 -38.989 -17.361 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 16.953 -47.506 -17.118 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 17.002 -46.896 -16.382 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 17.379 -47.045 -17.841 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 11.431 -44.713 -17.651 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 11.574 -45.660 -17.631 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 11.325 -44.506 -18.580 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 1.206 -44.215 -19.617 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 1.860 -44.765 -19.185 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 1.230 -44.489 -20.533 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 6.362 -42.665 -20.401 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 6.978 -43.191 -19.892 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 5.776 -43.305 -20.805 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 17.345 -46.028 -14.882 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 16.656 -45.370 -14.977 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 17.360 -46.225 -13.945 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 3.396 -47.694 -16.305 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 3.177 -47.164 -17.071 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 2.728 -47.467 -15.657 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 5.965 -40.018 -16.017 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 5.225 -39.420 -15.914 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 6.679 -39.464 -16.333 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 2.990 -45.802 -18.352 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 3.603 -45.169 -17.979 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 3.502 -46.274 -19.009 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 0.494 -38.383 -24.448 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 0.222 -38.154 -25.337 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 0.539 -37.545 -23.988 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 14.419 -48.475 -16.318 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 13.683 -47.864 -16.356 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 15.103 -48.060 -16.844 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 15.216 -38.513 -14.124 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 15.356 -39.104 -14.863 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 15.384 -37.640 -14.480 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 17.058 -42.173 -16.058 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 16.406 -41.478 -15.969 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 17.523 -41.963 -16.868 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 12.992 -43.167 -14.332 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 13.072 -42.404 -13.760 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 12.391 -42.888 -15.023 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 4.740 -40.711 -21.517 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 4.410 -41.081 -22.336 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 5.328 -41.381 -21.171 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 6.107 -37.283 -18.836 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 6.012 -37.861 -19.593 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 6.836 -37.654 -18.340 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 5.107 -41.942 -17.884 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 5.672 -41.821 -18.647 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 5.426 -41.305 -17.245 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 11.416 -36.439 -17.150 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 11.175 -35.777 -16.502 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 11.218 -37.273 -16.725 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 3.730 -41.641 -23.928 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 3.438 -40.873 -24.419 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 3.056 -42.301 -24.091 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 17.771 -35.832 -12.547 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 17.722 -36.787 -12.584 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 16.945 -35.564 -12.145 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 2.818 -33.697 -22.084 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 2.970 -34.045 -21.205 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 1.967 -34.053 -22.339 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 4.691 -49.485 -18.074 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 3.830 -49.572 -18.482 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 4.669 -48.629 -17.647 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 9.354 -49.763 -14.700 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 9.774 -50.178 -13.947 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 8.421 -49.941 -14.583 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 4.782 -44.519 -16.979 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 4.140 -44.560 -16.270 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 4.819 -43.593 -17.217 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 4.779 -44.298 -22.067 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 3.886 -44.639 -22.126 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 5.230 -44.675 -22.823 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 -0.860 -47.083 -21.262 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 -0.229 -47.112 -20.542 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 -0.410 -47.508 -21.992 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 10.583 -42.798 -15.765 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 10.907 -43.429 -16.408 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 10.143 -43.333 -15.104 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 2.189 -45.242 -22.154 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 1.300 -45.142 -22.494 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 2.485 -46.084 -22.500 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 11.766 -47.636 -17.717 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 11.089 -47.505 -17.053 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 11.280 -47.791 -18.527 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 15.053 -31.964 -11.440 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 15.253 -31.540 -12.275 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 15.709 -31.621 -10.833 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 7.307 -45.695 -16.680 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 6.472 -45.241 -16.570 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 7.831 -45.419 -15.928 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 15.001 -40.349 -16.209 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 15.643 -39.892 -16.752 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 14.171 -40.236 -16.671 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 11.621 -36.836 -13.808 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 10.720 -36.653 -14.076 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 11.655 -36.577 -12.887 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 17.316 -38.791 -12.604 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 16.464 -38.553 -12.971 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 17.906 -38.808 -13.357 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 12.808 -40.997 -17.954 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 11.880 -41.229 -17.981 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 13.259 -41.774 -18.284 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 5.351 -36.669 -21.821 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 5.878 -35.896 -22.022 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 4.471 -36.444 -22.123 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 6.778 -39.006 -22.245 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 6.537 -38.081 -22.203 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 6.038 -39.465 -21.849 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 5.462 -33.984 -22.700 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 4.512 -33.879 -22.648 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 5.813 -33.164 -22.355 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 10.837 -38.758 -16.229 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 10.411 -38.985 -15.403 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 11.418 -39.496 -16.412 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 13.496 -34.206 -13.760 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 12.894 -34.761 -14.255 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 13.777 -33.539 -14.386 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 10.353 -47.232 -15.463 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 11.051 -47.158 -14.813 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 9.972 -48.096 -15.308 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 8.873 -44.866 -14.346 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 8.992 -44.292 -13.589 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 9.528 -45.554 -14.231 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 2.261 -49.834 -19.056 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 2.032 -49.775 -19.983 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 1.818 -50.626 -18.749 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 1.191 -35.894 -22.895 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 0.359 -35.421 -22.868 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 1.737 -35.384 -23.494 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 11.654 -35.982 -11.216 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 11.303 -36.838 -10.973 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 12.380 -35.839 -10.609 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 5.166 -43.262 -13.817 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 4.548 -42.587 -13.536 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 5.510 -42.941 -14.650 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 5.918 -47.537 -15.242 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 6.454 -47.086 -15.894 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 5.066 -47.645 -15.664 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 7.500 -42.098 -15.002 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 8.251 -42.254 -15.575 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 7.161 -41.246 -15.278 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 6.724 -50.081 -14.810 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 6.626 -49.134 -14.916 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 5.981 -50.453 -15.286 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 -0.937 -32.192 -22.349 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 -1.584 -32.654 -22.882 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 -0.582 -32.864 -21.766 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 -0.067 -34.111 -20.544 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 -0.401 -34.992 -20.372 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 0.155 -33.766 -19.680 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 15.496 -37.945 -10.004 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 14.630 -38.050 -9.610 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 15.872 -37.186 -9.557 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 15.437 -35.972 -15.411 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 14.789 -35.647 -14.786 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 14.919 -36.412 -16.086 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 15.834 -41.144 -12.464 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 16.417 -41.878 -12.273 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 16.398 -40.372 -12.418 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 17.331 -43.241 -11.780 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 16.468 -43.620 -11.945 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 17.935 -43.980 -11.854 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 15.300 -44.950 -18.205 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 16.233 -44.738 -18.239 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 15.065 -44.848 -17.282 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 15.329 -44.213 -15.429 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 14.486 -43.945 -15.063 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 15.772 -43.391 -15.640 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 0.832 -47.453 -19.061 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 1.277 -48.245 -18.759 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 1.298 -46.737 -18.630 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 11.215 -32.624 -12.987 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 11.892 -33.256 -13.227 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 11.537 -32.222 -12.179 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 16.133 -50.034 -13.907 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 15.320 -49.709 -14.295 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 16.366 -50.794 -14.440 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 9.139 -32.564 -16.937 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 8.682 -32.035 -17.591 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 9.302 -31.961 -16.212 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 11.466 -33.686 -15.992 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 10.562 -33.521 -16.258 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 11.895 -32.833 -16.058 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 1.376 -33.429 -18.232 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 1.357 -33.854 -17.375 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 2.181 -33.747 -18.641 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 3.517 -34.719 -19.577 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 3.298 -35.635 -19.408 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 4.341 -34.579 -19.111 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 6.054 -34.249 -18.729 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 6.267 -35.137 -19.016 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 6.119 -34.283 -17.774 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 15.418 -34.681 -11.834 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 14.636 -34.867 -12.354 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 15.346 -33.752 -11.617 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 15.664 -50.429 -7.046 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 14.765 -50.290 -6.751 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 15.916 -49.598 -7.448 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 16.854 -36.063 -8.669 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 16.927 -35.124 -8.499 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 17.759 -36.368 -8.726 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 15.648 -35.805 -6.120 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 15.275 -36.631 -5.810 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 15.925 -35.988 -7.017 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 17.544 -33.349 -8.098 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 18.287 -32.763 -8.238 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 16.849 -32.781 -7.765 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 13.773 -35.037 -9.480 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 14.056 -35.831 -9.027 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 14.513 -34.804 -10.041 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 -0.937 -32.192 -3.493 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 -1.584 -32.654 -4.026 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 -0.582 -32.864 -2.910 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 17.612 -50.233 8.781 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 17.962 -50.887 8.175 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 17.759 -49.396 8.341 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 16.200 -33.432 -5.128 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 16.006 -34.180 -5.693 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 16.161 -32.674 -5.712 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 16.953 -47.506 20.594 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 17.002 -46.896 21.330 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 17.379 -47.045 19.871 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 17.345 -46.028 22.830 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 16.656 -45.370 22.735 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 17.360 -46.225 23.767 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 15.216 -38.513 23.588 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 15.356 -39.104 22.849 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 15.384 -37.640 23.232 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 17.058 -42.173 21.654 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 16.406 -41.478 21.743 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 17.523 -41.963 20.844 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 12.992 -43.167 23.380 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 13.072 -42.404 23.952 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 12.391 -42.888 22.689 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 15.664 -50.429 11.810 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 14.765 -50.290 12.105 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 15.916 -49.598 11.408 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 17.771 -35.832 25.165 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 17.722 -36.787 25.128 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 16.945 -35.564 25.567 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 14.923 -44.339 25.645 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 14.516 -43.858 24.925 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 14.964 -45.244 25.338 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 9.417 -43.707 25.950 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 8.854 -44.411 26.270 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 10.243 -43.827 26.417 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 15.053 -31.964 26.272 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 15.253 -31.540 25.437 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 15.709 -31.621 26.879 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 15.001 -40.349 21.503 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 15.643 -39.892 20.960 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 14.171 -40.236 21.041 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 17.316 -38.791 25.108 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 16.464 -38.553 24.741 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 17.906 -38.808 24.355 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 1.618 -46.973 23.359 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 0.725 -46.634 23.292 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 1.519 -47.828 23.777 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 15.077 -46.959 24.201 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 14.161 -46.696 24.113 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 15.413 -46.962 23.304 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 0.480 -33.281 26.147 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 1.020 -33.498 26.906 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 -0.001 -34.087 25.957 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 5.077 -34.362 27.767 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 5.845 -34.821 28.108 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 5.056 -34.588 26.837 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 11.654 -35.982 26.496 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 11.303 -36.838 26.739 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 12.380 -35.839 27.103 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 7.042 -39.501 26.534 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 6.714 -39.230 25.676 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 7.194 -40.442 26.446 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 10.186 -40.791 27.173 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 11.139 -40.707 27.145 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 10.026 -41.502 27.792 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 11.916 -44.283 27.738 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 12.108 -45.214 27.627 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 12.773 -43.858 27.728 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 13.232 -41.494 25.816 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 12.951 -40.785 25.238 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 14.175 -41.567 25.665 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 6.724 -50.081 22.902 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 6.626 -49.134 22.796 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 5.981 -50.453 22.426 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 7.988 -45.759 26.465 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 7.752 -45.979 27.367 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 7.205 -45.966 25.956 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 10.704 -46.632 25.541 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 9.756 -46.600 25.673 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 11.016 -47.257 26.195 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 12.338 -47.998 27.546 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 12.241 -48.950 27.540 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 12.016 -47.729 28.407 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 2.165 -46.788 26.594 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 2.376 -47.495 25.983 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 2.053 -47.226 27.438 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 6.946 -50.787 25.573 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 7.658 -51.427 25.559 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 6.845 -50.520 24.659 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 7.299 -49.104 27.627 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 7.168 -49.580 26.806 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 6.700 -48.360 27.571 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 17.482 -33.302 20.148 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 17.460 -33.117 21.087 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 18.172 -32.733 19.807 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 17.045 -33.735 23.070 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 16.558 -34.470 22.699 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 17.594 -34.128 23.748 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 15.496 -37.945 27.708 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 14.630 -38.050 28.102 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 15.872 -37.186 28.155 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 15.437 -35.972 22.301 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 14.789 -35.647 22.926 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 14.919 -36.412 21.626 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 15.834 -41.144 25.248 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 16.417 -41.878 25.439 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 16.398 -40.372 25.294 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 15.300 -44.950 19.507 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 16.233 -44.738 19.473 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 15.065 -44.848 20.430 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 15.329 -44.213 22.283 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 14.486 -43.945 22.649 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 15.772 -43.391 22.072 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 15.302 -48.268 14.120 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 15.484 -48.717 14.945 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 14.702 -48.853 13.656 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 17.132 -48.124 25.986 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 16.215 -47.853 25.950 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 17.255 -48.659 25.202 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 17.168 -48.201 10.648 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 17.581 -48.922 10.172 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 17.850 -47.531 10.706 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 -0.587 -49.458 22.119 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 -1.252 -49.704 22.762 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 -1.030 -48.836 21.542 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 11.215 -32.624 24.725 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 11.892 -33.256 24.485 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 11.537 -32.222 25.533 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 16.133 -50.034 23.805 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 15.320 -49.709 23.417 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 16.366 -50.794 23.272 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 16.432 -49.339 16.574 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 17.044 -49.853 16.047 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 16.815 -48.461 16.597 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 13.379 -49.968 13.105 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 12.676 -49.354 12.895 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 12.934 -50.806 13.236 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 1.847 -49.437 25.467 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 1.481 -50.202 25.910 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 2.760 -49.408 25.754 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 3.820 -50.086 27.003 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 4.719 -50.360 26.818 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 3.434 -50.829 27.467 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 12.242 -50.754 27.185 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 12.318 -51.180 28.039 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 13.135 -50.740 26.843 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 15.418 -34.681 25.878 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 14.636 -34.867 25.358 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 15.346 -33.752 26.095 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 0.494 -38.383 32.120 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 0.222 -38.154 31.231 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 0.539 -37.545 32.580 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 9.743 -43.093 29.255 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 10.444 -43.071 29.906 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 10.045 -43.721 28.599 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 9.016 -47.270 29.153 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 8.762 -47.251 30.076 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 8.759 -48.142 28.852 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 5.898 -46.825 28.254 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 5.467 -47.270 28.984 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 5.180 -46.453 27.742 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 0.415 -46.337 30.730 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 0.889 -45.746 30.145 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 -0.303 -45.806 31.077 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 4.516 -44.047 29.637 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 3.974 -44.427 28.946 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 5.350 -43.853 29.208 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 1.106 -41.807 29.334 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 1.722 -41.180 29.713 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 0.244 -41.491 29.605 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 13.040 -37.829 29.413 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 13.393 -38.209 30.217 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 12.091 -37.922 29.499 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 7.131 -36.717 27.860 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 7.370 -37.465 27.312 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 6.862 -37.105 28.692 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 6.068 -37.147 30.316 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 6.215 -37.667 31.106 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 6.065 -36.240 30.622 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 2.521 -39.894 30.826 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 1.835 -39.542 31.393 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 3.044 -39.131 30.580 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 3.137 -37.280 29.723 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 3.729 -36.581 29.999 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 3.596 -37.713 29.004 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 1.453 -44.616 28.839 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 1.408 -43.677 29.018 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 0.565 -44.852 28.569 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 9.169 -34.854 27.998 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 8.525 -35.485 28.320 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 9.931 -35.385 27.766 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 13.773 -35.037 28.232 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 14.056 -35.831 28.685 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 14.513 -34.804 27.671 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 4.728 -39.127 28.089 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 4.792 -39.921 28.620 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 5.381 -39.246 27.400 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 10.080 -38.080 27.825 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 9.812 -37.900 28.726 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 9.874 -39.006 27.694 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 5.877 -41.155 30.395 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 5.418 -41.639 31.081 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 6.132 -41.823 29.759 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 6.948 -42.912 28.658 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 6.768 -43.066 27.730 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 7.899 -42.804 28.702 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 0.414 -37.585 29.142 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 1.328 -37.506 29.415 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 0.421 -38.272 28.475 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 15.056 -47.086 27.961 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 15.666 -47.458 28.598 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 14.219 -47.508 28.157 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 2.587 -48.237 29.052 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 3.078 -48.867 28.524 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 3.210 -47.941 29.715 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 9.491 -32.995 29.904 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 10.357 -32.629 29.726 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 9.244 -33.435 29.091 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 2.445 -33.285 28.532 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 2.177 -32.998 29.405 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 3.216 -33.831 28.684 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 9.901 -22.684 -18.385 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 9.863 -23.330 -17.680 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 9.578 -23.150 -19.156 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 2.269 -23.069 -16.792 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 2.311 -23.695 -16.068 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 2.972 -22.446 -16.610 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 3.193 -18.619 -18.257 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 2.823 -19.421 -18.626 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 4.134 -18.788 -18.210 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 0.513 -22.797 -20.738 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 0.727 -23.567 -20.211 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 1.251 -22.708 -21.341 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 8.290 -20.251 -17.979 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 8.594 -20.937 -18.573 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 9.012 -20.133 -17.361 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 11.431 -25.857 -17.651 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 11.574 -26.804 -17.631 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 11.325 -25.650 -18.580 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 4.586 -27.756 -20.379 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 4.629 -26.896 -20.797 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 4.128 -28.308 -21.012 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 1.206 -25.359 -19.617 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 1.860 -25.909 -19.185 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 1.230 -25.633 -20.533 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 6.362 -23.809 -20.401 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 6.978 -24.335 -19.892 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 5.776 -24.449 -20.805 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 5.965 -21.162 -16.017 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 5.225 -20.564 -15.914 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 6.679 -20.608 -16.333 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 4.373 -19.198 -15.230 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 4.367 -18.319 -15.608 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 3.519 -19.281 -14.805 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 7.422 -31.532 -18.852 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 7.305 -32.481 -18.906 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 6.567 -31.200 -18.579 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 12.992 -24.311 -14.332 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 13.072 -23.548 -13.760 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 12.391 -24.032 -15.023 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 5.107 -23.086 -17.884 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 5.672 -22.965 -18.647 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 5.426 -22.449 -17.245 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 4.226 -16.615 -12.403 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 4.234 -16.751 -13.351 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 3.310 -16.733 -12.151 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 -0.177 -20.422 -15.113 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 -0.678 -20.450 -15.928 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 -0.171 -21.328 -14.803 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 8.750 -17.402 -13.671 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 8.837 -16.576 -13.196 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 7.886 -17.732 -13.422 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 2.072 -19.099 -14.070 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 2.289 -19.460 -13.210 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 1.217 -19.473 -14.280 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 9.354 -30.907 -14.700 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 9.774 -31.322 -13.947 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 8.421 -31.085 -14.583 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 12.680 -27.151 -13.846 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 12.166 -27.277 -13.049 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 12.525 -26.239 -14.091 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 4.779 -25.442 -22.067 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 3.886 -25.783 -22.126 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 5.230 -25.819 -22.823 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 -0.860 -28.227 -21.262 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 -0.229 -28.256 -20.542 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 -0.410 -28.652 -21.992 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 10.583 -23.942 -15.765 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 10.907 -24.573 -16.408 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 10.143 -24.477 -15.104 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 7.361 -28.015 -20.981 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 6.450 -27.958 -20.692 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 7.866 -28.075 -20.170 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 2.189 -26.386 -22.154 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 1.300 -26.286 -22.494 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 2.485 -27.228 -22.500 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 11.766 -28.780 -17.717 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 11.089 -28.649 -17.053 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 11.280 -28.935 -18.527 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 8.681 -25.227 -19.094 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 9.245 -25.774 -19.641 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 8.533 -25.749 -18.305 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 3.683 -29.091 -22.676 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 3.366 -29.993 -22.711 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 4.464 -29.089 -23.228 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 9.371 -20.442 -13.758 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 9.025 -20.823 -12.952 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 9.171 -19.508 -13.687 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 2.976 -21.331 -19.226 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 3.721 -21.333 -19.827 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 3.054 -22.155 -18.744 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 11.621 -17.980 -13.808 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 10.720 -17.797 -14.076 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 11.655 -17.721 -12.887 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 7.293 -16.001 -15.930 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 7.656 -15.146 -16.163 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 7.825 -16.293 -15.189 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 10.837 -19.902 -16.229 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 10.411 -20.129 -15.403 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 11.418 -20.640 -16.412 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 10.353 -28.376 -15.463 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 11.051 -28.302 -14.813 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 9.972 -29.240 -15.308 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 8.873 -26.010 -14.346 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 8.992 -25.436 -13.589 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 9.528 -26.698 -14.231 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 9.221 -29.915 -22.593 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 8.874 -29.297 -21.948 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 9.879 -29.414 -23.074 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 0.480 -14.425 -11.565 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 1.020 -14.642 -10.806 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 -0.001 -15.231 -11.755 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 5.077 -15.506 -9.945 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 5.845 -15.965 -9.604 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 5.056 -15.732 -10.875 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 11.654 -17.126 -11.216 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 11.303 -17.982 -10.973 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 12.380 -16.983 -10.609 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 12.777 -20.729 -13.795 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 13.522 -20.141 -13.915 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 12.020 -20.147 -13.732 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 10.186 -21.935 -10.539 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 11.139 -21.851 -10.567 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 10.026 -22.646 -9.920 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 11.916 -25.427 -9.974 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 12.108 -26.358 -10.085 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 12.773 -25.002 -9.984 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 13.232 -22.638 -11.896 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 12.951 -21.929 -12.474 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 14.175 -22.711 -12.047 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 10.704 -27.776 -12.171 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 9.756 -27.744 -12.039 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 11.016 -28.401 -11.517 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 12.338 -29.142 -10.166 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 12.241 -30.094 -10.172 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 12.016 -28.873 -9.305 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 0.013 -22.180 -18.093 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 0.197 -22.262 -19.028 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 0.862 -22.304 -17.669 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 17.612 -31.377 -10.075 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 17.962 -32.031 -10.681 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 17.759 -30.540 -10.515 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 0.832 -28.597 -19.061 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 1.277 -29.389 -18.759 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 1.298 -27.881 -18.630 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 -0.864 -25.598 -17.992 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 -0.372 -25.819 -18.782 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 -0.502 -24.757 -17.711 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 1.605 -17.427 -11.449 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 0.784 -17.252 -11.909 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 1.353 -17.500 -10.528 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 4.559 -16.452 -15.190 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 4.134 -15.643 -15.473 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 5.464 -16.367 -15.492 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 8.870 -15.053 -12.231 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 9.055 -15.387 -11.353 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 9.717 -14.744 -12.553 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 9.563 -29.729 -19.584 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 8.888 -30.358 -19.329 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 10.127 -30.213 -20.187 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 1.889 -31.095 -21.762 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 1.112 -31.329 -22.270 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 2.420 -31.892 -21.754 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 6.469 -31.168 -21.949 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 7.343 -30.780 -21.979 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 6.333 -31.383 -21.026 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 12.242 -31.898 -10.527 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 12.318 -32.324 -9.673 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 13.135 -31.884 -10.869 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 0.513 -22.797 -1.882 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 0.727 -23.567 -1.355 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 1.251 -22.708 -2.485 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 1.206 -25.359 -0.761 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 1.860 -25.909 -0.329 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 1.230 -25.633 -1.677 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 9.743 -24.237 -8.457 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 10.444 -24.215 -7.806 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 10.045 -24.865 -9.113 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 13.095 -22.485 -4.544 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 12.363 -22.257 -3.971 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 13.542 -23.199 -4.089 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 11.966 -23.323 -6.859 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 12.545 -23.173 -6.112 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 12.380 -22.852 -7.582 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 4.226 -16.615 6.453 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 4.234 -16.751 5.505 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 3.310 -16.733 6.705 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 15.664 -31.573 -7.046 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 14.765 -31.434 -6.751 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 15.916 -30.742 -7.448 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 16.854 -17.207 -8.669 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 16.927 -16.268 -8.499 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 17.759 -17.512 -8.726 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 17.771 -16.976 6.309 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 17.722 -17.931 6.272 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 16.945 -16.708 6.711 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 13.443 -22.290 -9.229 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 13.485 -22.513 -10.159 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 14.292 -21.892 -9.039 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 -0.860 -28.227 -2.406 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 -0.229 -28.256 -1.686 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 -0.410 -28.652 -3.136 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 2.189 -26.386 -3.298 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 1.300 -26.286 -3.638 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 2.485 -27.228 -3.644 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 15.053 -13.108 7.416 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 15.253 -12.684 6.581 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 15.709 -12.765 8.023 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 12.467 -25.945 -6.279 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 13.359 -26.082 -5.960 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 12.524 -25.154 -6.816 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 9.977 -19.167 -7.114 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 9.682 -18.341 -6.732 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 9.274 -19.787 -6.918 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 17.352 -25.735 -6.585 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 16.798 -26.131 -7.257 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 17.453 -24.825 -6.862 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 15.648 -16.949 -6.120 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 15.275 -17.775 -5.810 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 15.925 -17.132 -7.017 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 13.040 -18.973 -8.299 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 13.393 -19.353 -7.495 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 12.091 -19.066 -8.213 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 17.544 -14.493 -8.098 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 18.287 -13.907 -8.238 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 16.849 -13.925 -7.765 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 13.906 -20.300 -6.073 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 13.629 -21.028 -5.517 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 14.833 -20.181 -5.867 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 7.131 -17.861 -9.852 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 7.370 -18.609 -10.400 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 6.862 -18.249 -9.020 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 0.480 -14.425 7.291 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 1.020 -14.642 8.050 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 -0.001 -15.231 7.101 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 5.077 -15.506 8.911 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 5.845 -15.965 9.252 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 5.056 -15.732 7.981 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 9.169 -15.998 -9.714 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 8.525 -16.629 -9.392 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 9.931 -16.529 -9.946 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 13.773 -16.181 -9.480 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 14.056 -16.975 -9.027 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 14.513 -15.948 -10.041 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 0.387 -20.615 8.245 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 0.531 -21.517 7.959 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 -0.386 -20.329 7.757 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 10.080 -19.224 -9.887 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 9.812 -19.044 -8.986 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 9.874 -20.150 -10.018 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 6.846 -13.365 -8.053 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 7.779 -13.207 -7.909 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 6.582 -12.690 -8.678 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 -0.937 -13.336 -3.493 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 -1.584 -13.798 -4.026 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 -0.582 -14.008 -2.910 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 16.797 -20.832 -5.634 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 17.647 -20.411 -5.506 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 16.802 -21.572 -5.026 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 17.191 -22.779 -3.810 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 16.465 -23.258 -3.412 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 17.772 -22.573 -3.078 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 15.808 -25.638 -8.868 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 15.905 -24.971 -9.548 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 15.668 -26.454 -9.350 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 15.056 -28.230 -9.751 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 15.666 -28.602 -9.114 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 14.219 -28.652 -9.555 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 14.688 -26.675 -4.785 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 14.968 -27.582 -4.660 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 15.447 -26.241 -5.174 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 17.168 -29.345 -8.208 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 17.581 -30.066 -8.684 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 17.850 -28.675 -8.150 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 1.605 -17.427 7.407 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 0.784 -17.252 6.947 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 1.353 -17.500 8.328 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 8.870 -15.053 6.625 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 9.055 -15.387 7.503 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 9.717 -14.744 6.303 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 1.961 -13.196 3.713 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 1.241 -12.756 3.262 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 1.595 -13.447 4.562 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 4.428 -13.596 2.743 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 3.563 -13.524 3.147 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 4.373 -13.049 1.959 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 0.627 -15.349 -6.205 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 -0.058 -15.387 -6.873 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 0.630 -14.436 -5.917 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 2.445 -14.429 -9.180 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 2.177 -14.142 -8.307 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 3.216 -14.975 -9.028 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 15.418 -15.825 7.022 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 14.636 -16.011 6.502 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 15.346 -14.896 7.239 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 10.968 -21.939 15.908 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 11.057 -20.995 15.776 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 10.329 -22.214 15.250 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 9.901 -22.684 19.327 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 9.863 -23.330 20.032 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 9.578 -23.150 18.556 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 13.607 -19.745 17.629 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 13.166 -20.465 18.079 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 13.594 -19.024 18.259 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 8.290 -20.251 19.733 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 8.594 -20.937 19.139 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 9.012 -20.133 20.351 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 17.345 -27.172 22.830 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 16.656 -26.514 22.735 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 17.360 -27.369 23.767 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 10.765 -19.338 14.951 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 10.469 -19.660 14.100 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 10.441 -18.438 14.993 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 13.530 -18.223 15.111 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 13.273 -18.913 14.499 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 13.601 -18.666 15.956 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 9.689 -22.695 13.360 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 8.977 -22.160 13.009 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 10.380 -22.639 12.700 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 17.058 -23.317 21.654 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 16.406 -22.622 21.743 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 17.523 -23.107 20.844 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 12.992 -24.311 23.380 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 13.072 -23.548 23.952 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 12.391 -24.032 22.689 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 6.107 -18.427 18.876 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 6.012 -19.005 18.119 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 6.836 -18.798 19.372 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 5.987 -18.687 24.545 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 5.675 -17.905 25.001 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 5.337 -18.840 23.859 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 4.226 -16.615 25.309 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 4.234 -16.751 24.361 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 3.310 -16.733 25.561 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 16.854 -17.207 10.187 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 16.927 -16.268 10.357 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 17.759 -17.512 10.130 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 8.750 -17.402 24.041 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 8.837 -16.576 24.516 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 7.886 -17.732 24.290 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 12.266 -14.476 10.850 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 12.641 -15.220 10.379 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 12.270 -14.746 11.768 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 11.935 -14.550 13.599 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 11.000 -14.450 13.778 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 12.215 -15.259 14.177 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 14.923 -25.483 25.645 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 14.516 -25.002 24.925 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 14.964 -26.388 25.338 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 9.417 -24.851 25.950 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 8.854 -25.555 26.270 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 10.243 -24.971 26.417 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 10.583 -23.942 21.947 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 10.907 -24.573 21.304 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 10.143 -24.477 22.608 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 2.651 -20.634 25.880 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 3.384 -20.380 26.441 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 1.871 -20.430 26.395 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 7.851 -20.626 12.717 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 7.107 -21.133 12.394 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 7.717 -20.577 13.663 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 9.371 -20.442 23.954 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 9.025 -20.823 24.760 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 9.171 -19.508 24.025 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 9.977 -19.167 11.742 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 9.682 -18.341 12.124 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 9.274 -19.787 11.938 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 7.001 -23.353 26.014 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 6.705 -23.519 25.119 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 7.932 -23.573 26.004 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 15.648 -16.949 12.736 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 15.275 -17.775 13.046 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 15.925 -17.132 11.839 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 12.808 -22.141 19.758 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 11.880 -22.373 19.731 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 13.259 -22.918 19.428 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 5.351 -17.813 15.891 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 5.878 -17.040 15.690 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 4.471 -17.588 15.589 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 6.778 -20.150 15.467 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 6.537 -19.225 15.509 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 6.038 -20.609 15.863 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 7.293 -16.001 21.782 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 7.656 -15.146 21.549 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 7.825 -16.293 22.523 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 5.462 -15.128 15.012 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 4.512 -15.023 15.064 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 5.813 -14.308 15.357 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 10.837 -19.902 21.483 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 10.411 -20.129 22.309 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 11.418 -20.640 21.300 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 17.544 -14.493 10.758 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 18.287 -13.907 10.618 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 16.849 -13.925 11.091 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 7.131 -17.861 9.004 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 7.370 -18.609 8.456 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 6.862 -18.249 9.836 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 6.068 -18.291 11.460 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 6.215 -18.811 12.250 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 6.065 -17.384 11.766 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 2.521 -21.038 11.970 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 1.835 -20.686 12.537 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 3.044 -20.275 11.724 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 8.806 -16.593 12.209 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 7.989 -16.096 12.262 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 9.335 -16.118 11.569 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 8.873 -26.010 23.366 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 8.992 -25.436 24.123 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 9.528 -26.698 23.481 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 6.144 -15.550 12.191 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 6.305 -14.750 11.690 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 5.947 -15.243 13.076 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 13.679 -24.352 18.297 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 12.882 -24.767 17.968 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 14.124 -25.043 18.788 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 3.137 -18.424 10.867 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 3.729 -17.725 11.143 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 3.596 -18.857 10.148 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 0.480 -14.425 26.147 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 1.020 -14.642 26.906 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 -0.001 -15.231 25.957 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 9.169 -15.998 9.142 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 8.525 -16.629 9.464 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 9.931 -16.529 8.910 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 13.773 -16.181 9.376 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 14.056 -16.975 9.829 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 14.513 -15.948 8.815 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 0.387 -20.615 27.101 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 0.531 -21.517 26.815 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 -0.386 -20.329 26.613 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 4.728 -20.271 9.233 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 4.792 -21.065 9.764 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 5.381 -20.390 8.544 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 7.042 -20.645 26.534 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 6.714 -20.374 25.676 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 7.194 -21.586 26.446 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 1.219 -23.415 26.521 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 1.627 -24.272 26.400 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 0.959 -23.400 27.442 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 5.506 -27.051 24.978 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 5.656 -27.780 24.375 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 5.508 -26.274 24.419 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 7.500 -23.242 22.710 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 8.251 -23.398 22.137 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 7.161 -22.390 22.434 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 11.916 -25.427 27.738 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 12.108 -26.358 27.627 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 12.773 -25.002 27.728 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 3.984 -25.853 26.889 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 3.217 -26.385 26.679 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 4.663 -26.163 26.290 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 7.988 -26.903 26.465 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 7.752 -27.123 27.367 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 7.205 -27.110 25.956 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 10.704 -27.776 25.541 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 9.756 -27.744 25.673 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 11.016 -28.401 26.195 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 12.338 -29.142 27.546 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 12.241 -30.094 27.540 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 12.016 -28.873 28.407 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 2.165 -27.932 26.594 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 2.376 -28.639 25.983 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 2.053 -28.370 27.438 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 6.946 -31.931 25.573 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 7.658 -32.571 25.559 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 6.845 -31.664 24.659 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 7.299 -30.248 27.627 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 7.168 -30.724 26.806 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 6.700 -29.504 27.571 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 0.414 -18.729 10.286 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 1.328 -18.650 10.559 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 0.421 -19.416 9.619 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 17.191 -22.779 15.046 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 16.465 -23.258 15.444 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 17.772 -22.573 15.778 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 14.978 -24.258 15.609 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 14.828 -25.203 15.589 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 14.624 -23.977 16.453 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 17.331 -24.385 25.932 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 16.468 -24.764 25.767 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 17.935 -25.124 25.858 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 15.300 -26.094 19.507 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 16.233 -25.882 19.473 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 15.065 -25.992 20.430 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 15.329 -25.357 22.283 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 14.486 -25.089 22.649 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 15.772 -24.535 22.072 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 17.612 -31.377 27.637 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 17.962 -32.031 27.031 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 17.759 -30.540 27.197 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 17.132 -29.268 25.986 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 16.215 -28.997 25.950 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 17.255 -29.803 25.202 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 1.605 -17.427 26.263 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 0.784 -17.252 25.803 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 1.353 -17.500 27.184 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 4.559 -16.452 22.522 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 4.134 -15.643 22.239 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 5.464 -16.367 22.220 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 9.139 -13.708 20.775 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 8.682 -13.179 20.121 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 9.302 -13.105 21.500 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 6.054 -15.393 18.983 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 6.267 -16.281 18.696 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 6.119 -15.427 19.938 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 0.627 -15.349 12.651 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 -0.058 -15.387 11.983 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 0.630 -14.436 12.939 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 16.200 -14.576 13.728 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 16.006 -15.324 13.163 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 16.161 -13.818 13.144 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 1.847 -30.581 25.467 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 1.481 -31.346 25.910 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 2.760 -30.552 25.754 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 3.820 -31.230 27.003 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 4.719 -31.504 26.818 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 3.434 -31.973 27.467 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 2.445 -14.429 9.676 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 2.177 -14.142 10.549 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 3.216 -14.975 9.828 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 12.242 -31.898 27.185 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 12.318 -32.324 28.039 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 13.135 -31.884 26.843 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 1.106 -22.951 29.334 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 1.722 -22.324 29.713 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 0.244 -22.635 29.605 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 1.453 -25.760 28.839 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 1.408 -24.821 29.018 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 0.565 -25.996 28.569 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 4.728 -20.271 28.089 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 4.792 -21.065 28.620 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 5.381 -20.390 27.400 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 15.056 -28.230 27.961 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 15.666 -28.602 28.598 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 14.219 -28.652 28.157 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 2.587 -29.381 29.052 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 3.078 -30.011 28.524 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 3.210 -29.085 29.715 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 12.338 -10.286 -10.166 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 12.241 -11.238 -10.172 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 12.016 -10.017 -9.305 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 7.299 -11.392 -10.085 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 7.168 -11.868 -10.906 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 6.700 -10.648 -10.141 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 17.612 -12.521 -10.075 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 17.962 -13.175 -10.681 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 17.759 -11.684 -10.515 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 12.242 -13.042 -10.527 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 12.318 -13.468 -9.673 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 13.135 -13.028 -10.869 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 16.953 -9.794 1.738 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 17.002 -9.184 2.474 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 17.379 -9.333 1.015 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 11.431 -7.001 1.205 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 11.574 -7.948 1.225 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 11.325 -6.794 0.276 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 4.586 -8.900 -1.523 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 4.629 -8.040 -1.941 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 4.128 -9.452 -2.156 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 17.345 -8.316 3.974 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 16.656 -7.658 3.879 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 17.360 -8.513 4.911 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 3.396 -9.982 2.551 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 3.177 -9.452 1.785 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 2.728 -9.755 3.199 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 13.095 -3.629 -4.544 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 12.363 -3.401 -3.971 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 13.542 -4.343 -4.089 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 12.992 -5.455 4.524 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 13.072 -4.692 5.096 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 12.391 -5.176 3.833 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 15.664 -12.717 -7.046 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 14.765 -12.578 -6.751 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 15.916 -11.886 -7.448 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 4.691 -11.773 0.782 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 3.830 -11.860 0.374 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 4.669 -10.917 1.209 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 9.354 -12.051 4.156 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 9.774 -12.466 4.909 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 8.421 -12.229 4.273 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 12.680 -8.295 5.010 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 12.166 -8.421 5.807 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 12.525 -7.383 4.765 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 9.016 -9.558 -8.559 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 8.762 -9.539 -7.636 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 8.759 -10.430 -8.860 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 10.315 -6.170 -4.394 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 9.906 -5.355 -4.686 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 11.035 -6.310 -5.009 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 11.319 -6.724 -1.580 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 11.124 -6.119 -2.295 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 11.501 -7.558 -2.015 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 5.898 -9.113 -9.458 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 5.467 -9.558 -8.728 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 5.180 -8.741 -9.970 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 10.583 -5.086 3.091 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 10.907 -5.717 2.448 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 10.143 -5.621 3.752 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 7.361 -9.159 -2.125 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 6.450 -9.102 -1.836 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 7.866 -9.219 -1.314 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 5.842 -7.530 -5.642 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 6.774 -7.401 -5.464 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 5.627 -6.860 -6.291 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 8.681 -6.371 -0.238 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 9.245 -6.918 -0.785 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 8.533 -6.893 0.551 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 3.683 -10.235 -3.820 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 3.366 -11.137 -3.855 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 4.464 -10.233 -4.372 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 7.307 -7.983 2.176 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 6.472 -7.529 2.286 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 7.831 -7.707 2.928 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 11.749 -8.956 -7.940 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 10.811 -8.844 -8.091 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 12.046 -8.099 -7.634 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 12.467 -7.089 -6.279 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 13.359 -7.226 -5.960 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 12.524 -6.298 -6.816 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 17.352 -6.879 -6.585 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 16.798 -7.275 -7.257 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 17.453 -5.969 -6.862 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 12.808 -3.285 0.902 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 11.880 -3.517 0.875 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 13.259 -4.062 0.572 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 10.353 -9.520 3.393 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 11.051 -9.446 4.043 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 9.972 -10.384 3.548 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 11.137 -9.868 -5.510 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 11.357 -9.396 -6.313 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 11.695 -9.473 -4.839 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 8.337 -8.140 -4.675 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 9.149 -7.636 -4.629 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 8.092 -8.285 -3.761 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 4.878 -9.996 -7.049 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 4.795 -9.107 -6.703 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 5.768 -10.261 -6.818 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 15.077 -9.247 5.345 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 14.161 -8.984 5.257 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 15.413 -9.250 4.448 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 13.679 -5.496 -0.559 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 12.882 -5.911 -0.888 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 14.124 -6.187 -0.068 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 2.261 -12.122 -0.200 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 2.032 -12.063 -1.127 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 1.818 -12.914 0.107 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 5.918 -9.825 3.614 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 6.454 -9.374 2.962 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 5.066 -9.933 3.192 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 6.724 -12.369 4.046 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 6.626 -11.422 3.940 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 5.981 -12.741 3.570 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 10.704 -8.920 6.685 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 9.756 -8.888 6.817 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 11.016 -9.545 7.339 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 12.338 -10.286 8.690 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 12.241 -11.238 8.684 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 12.016 -10.017 9.551 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 6.946 -13.075 6.717 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 7.658 -13.715 6.703 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 6.845 -12.808 5.803 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 17.191 -3.923 -3.810 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 16.465 -4.402 -3.412 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 17.772 -3.717 -3.078 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 15.808 -6.782 -8.868 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 15.905 -6.115 -9.548 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 15.668 -7.598 -9.350 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 14.978 -5.402 -3.247 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 14.828 -6.347 -3.267 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 14.624 -5.121 -2.403 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 15.056 -9.374 -9.751 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 15.666 -9.746 -9.114 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 14.219 -9.796 -9.555 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 14.688 -7.819 -4.785 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 14.968 -8.726 -4.660 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 15.447 -7.385 -5.174 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 15.300 -7.238 0.651 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 16.233 -7.026 0.617 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 15.065 -7.136 1.574 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 15.329 -6.501 3.427 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 14.486 -6.233 3.793 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 15.772 -5.679 3.216 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 17.612 -12.521 8.781 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 17.962 -13.175 8.175 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 17.759 -11.684 8.341 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 0.832 -9.741 -0.205 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 1.277 -10.533 0.097 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 1.298 -9.025 0.226 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 17.132 -10.412 7.130 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 16.215 -10.141 7.094 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 17.255 -10.947 6.346 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 17.168 -10.489 -8.208 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 17.581 -11.210 -8.684 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 17.850 -9.819 -8.150 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 -0.587 -11.746 3.263 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 -1.252 -11.992 3.906 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 -1.030 -11.124 2.686 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 16.133 -12.322 4.949 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 15.320 -11.997 4.561 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 16.366 -13.082 4.416 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 1.889 -12.239 -2.906 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 1.112 -12.473 -3.414 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 2.420 -13.036 -2.898 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 0.726 -12.441 -7.103 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 1.165 -11.830 -7.694 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 0.092 -11.903 -6.629 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 7.613 -10.232 -6.203 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 7.791 -10.878 -5.520 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 7.559 -9.398 -5.736 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 12.242 -13.042 8.329 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 12.318 -13.468 9.183 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 13.135 -13.028 7.987 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 3.193 0.237 19.455 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 2.823 -0.565 19.086 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 4.134 0.068 19.502 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 -0.197 -6.103 14.848 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 -0.645 -5.257 14.830 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 -0.758 -6.683 14.333 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 0.513 -3.941 16.974 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 0.727 -4.711 17.501 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 1.251 -3.852 16.371 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 6.362 -4.953 17.311 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 6.978 -5.479 17.820 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 5.776 -5.593 16.907 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 5.965 -2.306 21.695 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 5.225 -1.708 21.798 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 6.679 -1.752 21.379 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 4.373 -0.342 22.482 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 4.367 0.537 22.104 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 3.519 -0.425 22.907 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 7.422 -12.676 18.860 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 7.305 -13.625 18.806 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 6.567 -12.344 19.133 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 4.740 -2.999 16.195 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 4.410 -3.369 15.376 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 5.328 -3.669 16.541 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 5.107 -4.230 19.828 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 5.672 -4.109 19.065 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 5.426 -3.593 20.467 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 3.730 -3.929 13.784 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 3.438 -3.161 13.293 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 3.056 -4.589 13.621 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 -0.177 -1.566 22.599 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 -0.678 -1.594 21.784 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 -0.171 -2.472 22.909 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 -0.426 1.214 19.483 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 0.520 1.070 19.464 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 -0.539 1.998 20.020 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 2.072 -0.243 23.642 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 2.289 -0.604 24.502 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 1.217 -0.617 23.432 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 9.354 -12.051 23.012 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 9.774 -12.466 23.765 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 8.421 -12.229 23.129 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 4.779 -6.586 15.645 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 3.886 -6.927 15.586 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 5.230 -6.963 14.889 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 0.415 -8.625 11.874 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 0.889 -8.034 11.289 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 -0.303 -8.094 12.221 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 7.361 -9.159 16.731 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 6.450 -9.102 17.020 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 7.866 -9.219 17.542 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 2.189 -7.530 15.558 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 1.300 -7.430 15.218 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 2.485 -8.372 15.212 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 5.842 -7.530 13.214 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 6.774 -7.401 13.392 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 5.627 -6.860 12.565 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 2.651 -1.778 25.880 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 3.384 -1.524 26.441 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 1.871 -1.574 26.395 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 8.681 -6.371 18.618 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 9.245 -6.918 18.071 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 8.533 -6.893 19.407 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 3.683 -10.235 15.036 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 3.366 -11.137 15.001 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 4.464 -10.233 14.484 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 7.307 -7.983 21.032 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 6.472 -7.529 21.142 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 7.831 -7.707 21.784 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 2.976 -2.475 18.486 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 3.721 -2.477 17.885 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 3.054 -3.299 18.968 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 7.001 -4.497 26.014 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 6.705 -4.663 25.119 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 7.932 -4.717 26.004 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 8.873 -7.154 23.366 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 8.992 -6.580 24.123 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 9.528 -7.842 23.481 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 4.878 -9.996 11.807 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 4.795 -9.107 12.153 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 5.768 -10.261 12.038 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 0.387 -1.759 27.101 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 0.531 -2.661 26.815 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 -0.386 -1.473 26.613 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 1.219 -4.559 26.521 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 1.627 -5.416 26.400 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 0.959 -4.544 27.442 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 5.166 -5.550 23.895 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 4.548 -4.875 24.176 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 5.510 -5.229 23.062 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 5.506 -8.195 24.978 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 5.656 -8.924 24.375 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 5.508 -7.418 24.419 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 5.918 -9.825 22.470 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 6.454 -9.374 21.818 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 5.066 -9.933 22.048 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 7.500 -4.386 22.710 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 8.251 -4.542 22.137 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 7.161 -3.534 22.434 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 3.984 -6.997 26.889 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 3.217 -7.529 26.679 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 4.663 -7.307 26.290 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 6.724 -12.369 22.902 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 6.626 -11.422 22.796 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 5.981 -12.741 22.426 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 2.165 -9.076 26.594 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 2.376 -9.783 25.983 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 2.053 -9.514 27.438 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 6.946 -13.075 25.573 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 7.658 -13.715 25.559 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 6.845 -12.808 24.659 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 -0.551 -10.484 13.775 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 -1.476 -10.275 13.645 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 -0.097 -10.000 13.085 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 9.563 -10.873 18.128 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 8.888 -11.502 18.383 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 10.127 -11.357 17.525 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 0.726 -12.441 11.753 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 1.165 -11.830 11.162 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 0.092 -11.903 12.227 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 6.469 -12.312 15.763 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 7.343 -11.924 15.733 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 6.333 -12.527 16.686 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 1.847 -11.725 25.467 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 1.481 -12.490 25.910 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 2.760 -11.696 25.754 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 3.820 -12.374 27.003 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 4.719 -12.648 26.818 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 3.434 -13.117 27.467 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 5.898 -9.113 28.254 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 5.467 -9.558 28.984 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 5.180 -8.741 27.742 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 4.516 -6.335 29.637 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 3.974 -6.715 28.946 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 5.350 -6.141 29.208 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 1.106 -4.095 29.334 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 1.722 -3.468 29.713 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 0.244 -3.779 29.605 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 1.453 -6.904 28.839 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 1.408 -5.965 29.018 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 0.565 -7.140 28.569 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 2.587 -10.525 29.052 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 3.078 -11.155 28.524 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 3.210 -10.229 29.715 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 19.336 -52.137 -11.565 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 19.876 -52.354 -10.806 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 18.855 -52.943 -11.755 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 20.817 -50.908 -15.143 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 20.097 -50.468 -15.594 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 20.451 -51.159 -14.294 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 21.125 -60.781 2.064 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 21.167 -61.407 2.788 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 21.828 -60.158 2.246 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 19.369 -60.509 -1.882 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 19.583 -61.279 -1.355 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 20.107 -60.420 -2.485 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 24.821 -58.874 2.839 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 24.081 -58.276 2.942 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 25.535 -58.320 2.523 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 23.229 -56.910 3.626 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 23.223 -56.031 3.248 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 22.375 -56.993 4.051 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 19.350 -57.239 -5.592 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 19.078 -57.010 -6.481 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 19.395 -56.401 -5.132 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 23.596 -59.567 -2.661 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 23.266 -59.937 -3.480 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 24.184 -60.237 -2.315 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 24.963 -56.139 0.020 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 24.868 -56.717 -0.737 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 25.692 -56.510 0.516 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 24.843 -56.399 5.689 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 24.531 -55.617 6.145 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 24.193 -56.552 5.003 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 21.763 -60.201 4.918 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 21.833 -59.550 5.616 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 20.872 -60.098 4.583 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 23.082 -54.327 6.453 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 23.090 -54.463 5.505 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 22.166 -54.445 6.705 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 18.679 -58.134 3.743 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 18.178 -58.162 2.928 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 18.685 -59.040 4.053 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 21.507 -58.346 7.024 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 22.240 -58.092 7.585 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 20.727 -58.142 7.539 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 21.832 -59.043 -0.370 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 22.577 -59.045 -0.971 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 21.910 -59.867 0.112 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 18.840 -60.582 4.945 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 19.063 -61.000 5.777 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 18.238 -61.195 4.523 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 24.207 -55.525 -2.965 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 24.734 -54.752 -3.166 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 23.327 -55.300 -3.267 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 26.149 -53.713 2.926 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 26.512 -52.858 2.693 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 26.681 -54.005 3.667 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 24.318 -52.840 -3.844 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 23.368 -52.735 -3.792 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 24.669 -52.020 -3.499 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 25.000 -53.262 -6.665 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 25.161 -52.462 -7.166 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 24.803 -52.955 -5.780 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 20.047 -54.750 -4.039 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 19.215 -54.277 -4.012 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 20.593 -54.240 -4.638 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 23.933 -53.218 8.911 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 24.701 -53.677 9.252 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 23.912 -53.444 7.981 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 20.075 -61.127 7.665 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 20.483 -61.984 7.544 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 19.815 -61.112 8.586 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 25.702 -51.077 -8.053 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 26.635 -50.919 -7.909 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 25.438 -50.402 -8.678 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 19.270 -56.441 -8.570 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 20.184 -56.362 -8.297 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 19.277 -57.128 -9.237 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 18.869 -59.892 0.763 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 19.053 -59.974 -0.172 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 19.718 -60.016 1.187 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 17.992 -63.310 0.864 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 18.484 -63.531 0.074 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 18.354 -62.469 1.145 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 23.415 -54.164 3.666 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 22.990 -53.355 3.383 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 24.320 -54.079 3.364 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 27.995 -51.420 1.919 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 27.538 -50.891 1.265 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 28.158 -50.817 2.644 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 24.910 -53.105 0.127 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 25.123 -53.993 -0.160 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 24.975 -53.139 1.082 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 19.483 -53.061 -6.205 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 18.798 -53.099 -6.873 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 19.486 -52.148 -5.917 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 21.301 -52.141 -9.180 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 21.033 -51.854 -8.307 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 22.072 -52.687 -9.028 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 19.350 -57.239 13.264 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 19.078 -57.010 12.375 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 19.395 -56.401 13.724 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 19.962 -60.663 10.478 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 20.578 -60.036 10.857 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 19.100 -60.347 10.749 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 25.987 -55.573 9.004 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 26.226 -56.321 8.456 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 25.718 -55.961 9.836 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 21.377 -58.750 11.970 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 20.691 -58.398 12.537 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 21.900 -57.987 11.724 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 21.993 -56.136 10.867 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 22.585 -55.437 11.143 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 22.452 -56.569 10.148 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 23.584 -57.983 9.233 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 23.648 -58.777 9.764 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 24.237 -58.102 8.544 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 19.270 -56.441 10.286 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 20.184 -56.362 10.559 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 19.277 -57.128 9.619 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 17.919 -51.048 15.363 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 17.272 -51.510 14.830 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 18.274 -51.720 15.946 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 18.789 -52.967 17.168 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 18.455 -53.848 17.340 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 19.011 -52.622 18.032 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 19.483 -53.061 12.651 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 18.798 -53.099 11.983 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 19.486 -52.148 12.939 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 21.301 -52.141 9.676 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 21.033 -51.854 10.549 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 22.072 -52.687 9.828 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 18.840 -41.726 -13.911 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 19.063 -42.144 -13.079 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 18.238 -42.339 -14.333 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 20.474 -46.973 -14.353 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 19.581 -46.634 -14.420 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 20.375 -47.828 -13.935 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 19.243 -39.471 -10.611 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 19.387 -40.373 -10.897 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 18.470 -39.185 -11.099 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 20.075 -42.271 -11.191 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 20.483 -43.128 -11.312 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 19.815 -42.256 -10.270 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 22.840 -44.709 -10.823 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 22.073 -45.241 -11.033 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 23.519 -45.019 -11.422 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 21.021 -46.788 -11.118 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 21.232 -47.495 -11.729 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 20.909 -47.226 -10.274 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 18.269 -49.458 -15.593 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 17.604 -49.704 -14.950 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 17.826 -48.836 -16.170 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 20.703 -49.437 -12.245 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 20.337 -50.202 -11.802 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 21.616 -49.408 -11.958 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 22.676 -50.086 -10.709 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 23.575 -50.360 -10.894 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 22.290 -50.829 -10.245 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 22.049 -37.475 0.599 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 21.679 -38.277 0.230 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 22.990 -37.644 0.646 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 25.218 -42.665 -1.545 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 25.834 -43.191 -1.036 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 24.632 -43.305 -1.949 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 23.229 -38.054 3.626 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 23.223 -37.175 3.248 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 22.375 -38.137 4.051 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 19.350 -38.383 -5.592 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 19.078 -38.154 -6.481 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 19.395 -37.545 -5.132 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 26.278 -50.388 0.004 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 26.161 -51.337 -0.050 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 25.423 -50.056 0.277 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 23.596 -40.711 -2.661 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 23.266 -41.081 -3.480 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 24.184 -41.381 -2.315 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 23.963 -41.942 0.972 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 24.528 -41.821 0.209 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 24.282 -41.305 1.611 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 21.763 -41.345 4.918 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 21.833 -40.694 5.616 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 20.872 -41.242 4.583 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 23.082 -35.471 6.453 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 23.090 -35.607 5.505 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 22.166 -35.589 6.705 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 22.586 -41.641 -5.072 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 22.294 -40.873 -5.563 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 21.912 -42.301 -5.235 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 21.674 -33.697 -3.228 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 21.826 -34.045 -2.349 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 20.823 -34.053 -3.483 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 20.928 -37.955 4.786 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 21.145 -38.316 5.646 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 20.073 -38.329 4.576 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 28.210 -49.763 4.156 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 28.630 -50.178 4.909 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 27.277 -49.941 4.273 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 23.638 -44.519 1.877 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 22.996 -44.560 2.586 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 23.675 -43.593 1.639 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 21.388 -44.199 3.744 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 21.350 -43.799 4.612 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 20.897 -45.016 3.834 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 24.754 -46.825 -9.458 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 24.323 -47.270 -8.728 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 24.036 -46.453 -9.970 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 26.217 -46.871 -2.125 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 25.306 -46.814 -1.836 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 26.722 -46.931 -1.314 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 24.698 -45.242 -5.642 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 25.630 -45.113 -5.464 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 24.483 -44.572 -6.291 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 23.372 -44.047 -8.075 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 22.830 -44.427 -8.766 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 24.206 -43.853 -8.504 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 21.507 -39.490 7.024 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 22.240 -39.236 7.585 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 20.727 -39.286 7.539 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 27.537 -44.083 -0.238 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 28.101 -44.630 -0.785 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 27.389 -44.605 0.551 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 26.163 -45.695 2.176 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 25.328 -45.241 2.286 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 26.687 -45.419 2.928 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 21.832 -40.187 -0.370 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 22.577 -40.189 -0.971 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 21.910 -41.011 0.112 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 19.962 -41.807 -8.378 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 20.578 -41.180 -7.999 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 19.100 -41.491 -8.107 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 24.318 -33.984 -3.844 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 23.368 -33.879 -3.792 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 24.669 -33.164 -3.499 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 21.377 -39.894 -6.886 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 20.691 -39.542 -6.319 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 21.900 -39.131 -7.132 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 27.193 -45.852 -4.675 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 28.005 -45.348 -4.629 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 26.948 -45.997 -3.761 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 28.077 -48.771 -3.737 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 27.730 -48.153 -3.092 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 28.735 -48.270 -4.218 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 23.734 -47.708 -7.049 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 23.651 -46.819 -6.703 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 24.624 -47.973 -6.818 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 21.993 -37.280 -7.989 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 22.585 -36.581 -7.713 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 22.452 -37.713 -8.708 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 20.309 -44.616 -8.873 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 20.264 -43.677 -8.694 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 19.421 -44.852 -9.143 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 20.047 -35.894 -4.039 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 19.215 -35.421 -4.012 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 20.593 -35.384 -4.638 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 23.933 -34.362 8.911 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 24.701 -34.821 9.252 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 23.912 -34.588 7.981 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 19.243 -39.471 8.245 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 19.387 -40.373 7.959 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 18.470 -39.185 7.757 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 20.075 -42.271 7.665 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 20.483 -43.128 7.544 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 19.815 -42.256 8.586 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 24.733 -41.155 -7.317 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 24.274 -41.639 -6.631 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 24.988 -41.823 -7.953 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 24.022 -43.262 5.039 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 23.404 -42.587 5.320 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 24.366 -42.941 4.206 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 24.362 -45.907 6.122 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 24.512 -46.636 5.519 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 24.364 -45.130 5.563 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 24.774 -47.537 3.614 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 25.310 -47.086 2.962 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 23.922 -47.645 3.192 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 22.840 -44.709 8.033 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 22.073 -45.241 7.823 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 23.519 -45.019 7.434 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 25.580 -50.081 4.046 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 25.482 -49.134 3.940 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 24.837 -50.453 3.570 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 21.021 -46.788 7.738 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 21.232 -47.495 7.127 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 20.909 -47.226 8.582 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 25.802 -50.787 6.717 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 26.514 -51.427 6.703 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 25.701 -50.520 5.803 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 19.270 -37.585 -8.570 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 20.184 -37.506 -8.297 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 19.277 -38.272 -9.237 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 18.467 -45.765 6.904 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 19.386 -45.887 7.140 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 18.017 -46.515 7.293 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 20.461 -36.283 7.407 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 19.640 -36.108 6.947 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 20.209 -36.356 8.328 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 23.415 -35.308 3.666 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 22.990 -34.499 3.383 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 24.320 -35.223 3.364 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 23.284 -32.452 2.743 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 22.419 -32.380 3.147 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 23.229 -31.905 1.959 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 22.373 -34.719 -0.721 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 22.154 -35.635 -0.552 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 23.197 -34.579 -0.255 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 24.910 -34.249 0.127 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 25.123 -35.137 -0.160 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 24.975 -34.283 1.082 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 28.419 -48.585 -0.728 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 27.744 -49.214 -0.473 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 28.983 -49.069 -1.331 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 19.582 -50.153 -7.103 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 20.021 -49.542 -7.694 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 18.948 -49.615 -6.629 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 25.325 -50.024 -3.093 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 26.199 -49.636 -3.123 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 25.189 -50.239 -2.170 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 19.483 -34.205 -6.205 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 18.798 -34.243 -6.873 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 19.486 -33.292 -5.917 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 21.443 -48.237 -8.660 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 21.934 -48.867 -9.188 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 22.066 -47.941 -7.997 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 26.469 -47.944 -6.203 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 26.647 -48.590 -5.520 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 26.415 -47.110 -5.736 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 20.703 -49.437 6.611 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 20.337 -50.202 7.054 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 21.616 -49.408 6.898 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 22.676 -50.086 8.147 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 23.575 -50.360 7.962 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 22.290 -50.829 8.611 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 21.301 -33.285 -9.180 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 21.033 -32.998 -8.307 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 22.072 -33.831 -9.028 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 21.125 -41.925 20.920 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 21.167 -42.551 21.644 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 21.828 -41.302 21.102 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 22.049 -37.475 19.455 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 21.679 -38.277 19.086 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 22.990 -37.644 19.502 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 18.659 -43.815 14.848 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 18.211 -42.969 14.830 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 18.098 -44.395 14.333 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 20.062 -44.215 18.095 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 20.716 -44.765 18.527 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 20.086 -44.489 17.179 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 23.596 -40.711 16.195 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 23.266 -41.081 15.376 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 24.184 -41.381 16.541 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 22.586 -41.641 13.784 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 22.294 -40.873 13.293 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 21.912 -42.301 13.621 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 18.679 -39.278 22.599 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 18.178 -39.306 21.784 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 18.685 -40.184 22.909 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 18.430 -36.498 19.483 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 19.376 -36.642 19.464 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 18.317 -35.714 20.020 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 21.674 -33.697 15.628 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 21.826 -34.045 16.507 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 20.823 -34.053 15.373 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 23.635 -44.298 15.645 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 22.742 -44.639 15.586 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 24.086 -44.675 14.889 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 17.996 -47.083 16.450 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 18.627 -47.112 17.170 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 18.446 -47.508 15.720 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 19.271 -46.337 11.874 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 19.745 -45.746 11.289 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 18.553 -45.806 12.221 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 21.045 -45.242 15.558 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 20.156 -45.142 15.218 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 21.341 -46.084 15.212 0.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 23.372 -44.047 10.781 0.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 22.830 -44.427 10.090 0.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 24.206 -43.853 10.352 0.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 21.832 -40.187 18.486 0.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 22.577 -40.189 17.885 0.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 21.910 -41.011 18.968 0.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 24.207 -36.669 15.891 0.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 24.734 -35.896 15.690 0.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 23.327 -36.444 15.589 0.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 19.962 -41.807 10.478 0.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 20.578 -41.180 10.857 0.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 19.100 -41.491 10.749 0.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 25.634 -39.006 15.467 0.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 25.393 -38.081 15.509 0.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 24.894 -39.465 15.863 0.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 24.318 -33.984 15.012 0.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 23.368 -33.879 15.064 0.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 24.669 -33.164 15.357 0.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 20.125 -35.168 21.794 0.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 20.342 -36.100 21.763 0.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 20.372 -34.894 22.678 0.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 24.924 -37.147 11.460 0.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 25.071 -37.667 12.250 0.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 24.921 -36.240 11.766 0.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 21.377 -39.894 11.970 0.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 20.691 -39.542 12.537 0.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 21.900 -39.131 11.724 0.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 25.000 -34.406 12.191 0.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 25.161 -33.606 11.690 0.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 24.803 -34.099 13.076 0.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 21.993 -37.280 10.867 0.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 22.585 -36.581 11.143 0.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 22.452 -37.713 10.148 0.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 20.309 -44.616 9.983 0.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 20.264 -43.677 10.162 0.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 19.421 -44.852 9.713 0.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 23.584 -39.127 9.233 0.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 23.648 -39.921 9.764 0.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 24.237 -39.246 8.544 0.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 25.702 -32.221 10.803 0.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 26.635 -32.063 10.947 0.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 25.438 -31.546 10.178 0.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 18.869 -41.036 19.619 0.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 19.053 -41.118 18.684 0.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 19.718 -41.160 20.043 0.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 19.688 -47.453 18.651 0.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 20.133 -48.245 18.953 0.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 20.154 -46.737 19.082 0.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 17.992 -44.454 19.720 0.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 18.484 -44.675 18.930 0.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 18.354 -43.613 20.001 0.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 18.305 -48.196 13.775 0.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 17.380 -47.987 13.645 0.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 18.759 -47.712 13.085 0.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 18.269 -49.458 22.119 0.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 17.604 -49.704 22.762 0.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 17.826 -48.836 21.542 0.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 20.817 -32.052 22.569 0.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 20.097 -31.612 22.118 0.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 20.451 -32.303 23.418 0.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 20.232 -33.429 19.480 0.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 20.213 -33.854 20.337 0.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 21.037 -33.747 19.071 0.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 22.373 -34.719 18.135 0.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 22.154 -35.635 18.304 0.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 23.197 -34.579 18.601 0.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 19.582 -50.153 11.753 0.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 20.021 -49.542 11.162 0.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 18.948 -49.615 12.227 0.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 21.443 -48.237 10.196 0.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 21.934 -48.867 9.668 0.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 22.066 -47.941 10.859 0.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 21.301 -33.285 9.676 0.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 21.033 -32.998 10.549 0.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 22.072 -33.831 9.828 0.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 23.933 -15.506 -9.945 0.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 24.701 -15.965 -9.604 0.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 23.912 -15.732 -10.875 0.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 21.125 -23.069 2.064 0.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 21.167 -23.695 2.788 0.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 21.828 -22.446 2.246 0.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 18.659 -24.959 -4.008 0.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 18.211 -24.113 -4.026 0.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 18.098 -25.539 -4.523 0.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 19.369 -22.797 -1.882 0.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 19.583 -23.567 -1.355 0.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 20.107 -22.708 -2.485 0.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 29.574 -14.640 -1.015 0.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 30.194 -15.317 -1.288 0.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 29.366 -14.858 -0.107 0.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 27.146 -20.251 0.877 0.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 27.450 -20.937 0.283 0.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 27.868 -20.133 1.495 0.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 23.442 -27.756 -1.523 0.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 23.485 -26.896 -1.941 0.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 22.984 -28.308 -2.156 0.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 20.062 -25.359 -0.761 0.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 20.716 -25.909 -0.329 0.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 20.086 -25.633 -1.677 0.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 24.821 -21.162 2.839 0.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 24.081 -20.564 2.942 0.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 25.535 -20.608 2.523 0.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 23.229 -19.198 3.626 0.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 23.223 -18.319 3.248 0.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 22.375 -19.281 4.051 0.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 19.350 -19.527 -5.592 0.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 19.078 -19.298 -6.481 0.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 19.395 -18.689 -5.132 0.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 26.278 -31.532 0.004 0.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 26.161 -32.481 -0.050 0.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 25.423 -31.200 0.277 0.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 31.227 -16.124 -2.254 0.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 31.652 -16.831 -2.739 0.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 31.544 -15.323 -2.671 0.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 23.596 -21.855 -2.661 0.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 23.266 -22.225 -3.480 0.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 24.184 -22.525 -2.315 0.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 24.963 -18.427 0.020 0.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 24.868 -19.005 -0.737 0.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 25.692 -18.798 0.516 0.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 23.963 -23.086 0.972 0.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 24.528 -22.965 0.209 0.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 24.282 -22.449 1.611 0.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 24.843 -18.687 5.689 0.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 24.531 -17.905 6.145 0.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 24.193 -18.840 5.003 0.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 21.763 -22.489 4.918 0.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 21.833 -21.838 5.616 0.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 20.872 -22.386 4.583 0.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 28.548 -16.586 -3.424 0.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 29.022 -16.291 -2.646 0.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 27.985 -15.848 -3.657 0.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 23.082 -16.615 6.453 0.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 23.090 -16.751 5.505 0.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 22.166 -16.733 6.705 0.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 27.606 -17.402 5.185 0.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 27.693 -16.576 5.660 0.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 26.742 -17.732 5.434 0.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 28.020 -13.630 -5.009 0.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 27.945 -13.751 -5.955 0.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 28.053 -12.680 -4.890 0.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 30.791 -14.550 -5.257 0.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 29.856 -14.450 -5.078 0.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 31.071 -15.259 -4.679 0.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 20.928 -19.099 4.786 0.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 21.145 -19.460 5.646 0.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 20.073 -19.473 4.576 0.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 23.547 -30.629 0.782 0.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 22.686 -30.716 0.374 0.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 23.525 -29.773 1.209 0.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 23.638 -25.663 1.877 0.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 22.996 -25.704 2.586 0.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 23.675 -24.737 1.639 0.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 23.635 -25.442 -3.211 0.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 22.742 -25.783 -3.270 0.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 24.086 -25.819 -3.967 0.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 19.271 -27.481 -6.982 0.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 19.745 -26.890 -7.567 0.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 18.553 -26.950 -6.635 0.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 26.217 -28.015 -2.125 0.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 25.306 -27.958 -1.836 0.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 26.722 -28.075 -1.314 0.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 21.045 -26.386 -3.298 0.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 20.156 -26.286 -3.638 0.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 21.341 -27.228 -3.644 0.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 21.507 -20.634 7.024 0.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 22.240 -20.380 7.585 0.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 20.727 -20.430 7.539 0.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 22.539 -29.091 -3.820 0.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 22.222 -29.993 -3.855 0.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 23.320 -29.089 -4.372 0.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 26.163 -26.839 2.176 0.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 25.328 -26.385 2.286 0.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 26.687 -26.563 2.928 0.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 21.832 -21.331 -0.370 0.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 22.577 -21.333 -0.971 0.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 21.910 -22.155 0.112 0.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 24.207 -17.813 -2.965 0.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 24.734 -17.040 -3.166 0.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 23.327 -17.588 -3.267 0.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 25.634 -20.150 -3.389 0.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 25.393 -19.225 -3.347 0.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 24.894 -20.609 -2.993 0.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 26.149 -16.001 2.926 0.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 26.512 -15.146 2.693 0.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 26.681 -16.293 3.667 0.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 25.987 -17.861 -9.852 0.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 26.226 -18.609 -10.400 0.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 25.718 -18.249 -9.020 0.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 24.924 -18.291 -7.396 0.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 25.071 -18.811 -6.606 0.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 24.921 -17.384 -7.090 0.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 27.662 -16.593 -6.647 0.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 26.845 -16.096 -6.594 0.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 28.191 -16.118 -7.287 0.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 23.734 -28.852 -7.049 0.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 23.651 -27.963 -6.703 0.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 24.624 -29.117 -6.818 0.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 21.993 -18.424 -7.989 0.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 22.585 -17.725 -7.713 0.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 22.452 -18.857 -8.708 0.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 19.336 -14.425 7.291 0.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 19.876 -14.642 8.050 0.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 18.855 -15.231 7.101 0.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 23.933 -15.506 8.911 0.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 24.701 -15.965 9.252 0.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 23.912 -15.732 7.981 0.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 28.025 -15.998 -9.714 0.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 27.381 -16.629 -9.392 0.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 28.787 -16.529 -9.946 0.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 19.243 -20.615 8.245 0.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 19.387 -21.517 7.959 0.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 18.470 -20.329 7.757 0.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 20.075 -23.415 7.665 0.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 20.483 -24.272 7.544 0.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 19.815 -23.400 8.586 0.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 24.022 -24.406 5.039 0.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 23.404 -23.731 5.320 0.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 24.366 -24.085 4.206 0.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 24.362 -27.051 6.122 0.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 24.512 -27.780 5.519 0.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 24.364 -26.274 5.563 0.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 24.774 -28.681 3.614 0.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 25.310 -28.230 2.962 0.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 23.922 -28.789 3.192 0.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 26.356 -23.242 3.854 0.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 27.107 -23.398 3.281 0.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 26.017 -22.390 3.578 0.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 22.840 -25.853 8.033 0.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 22.073 -26.385 7.823 0.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 23.519 -26.163 7.434 0.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 25.580 -31.225 4.046 0.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 25.482 -30.278 3.940 0.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 24.837 -31.597 3.570 0.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 21.021 -27.932 7.738 0.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 21.232 -28.639 7.127 0.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 20.909 -28.370 8.582 0.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 25.702 -13.365 -8.053 0.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 26.635 -13.207 -7.909 0.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 25.438 -12.690 -8.678 0.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 20.461 -17.427 7.407 0.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 19.640 -17.252 6.947 0.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 20.209 -17.500 8.328 0.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 27.726 -15.053 6.625 0.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 27.911 -15.387 7.503 0.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 28.573 -14.744 6.303 0.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 27.995 -13.708 1.919 0.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 27.538 -13.179 1.265 0.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 28.158 -13.105 2.644 0.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 30.322 -14.830 2.864 0.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 29.418 -14.665 2.598 0.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 30.751 -13.977 2.798 0.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 32.927 -13.260 3.159 0.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 32.745 -12.344 2.948 0.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 33.103 -13.670 2.312 0.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 19.582 -31.297 -7.103 0.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 20.021 -30.686 -7.694 0.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 18.948 -30.759 -6.629 0.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 25.325 -31.168 -3.093 0.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 26.199 -30.780 -3.123 0.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 25.189 -31.383 -2.170 0.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 19.483 -15.349 -6.205 0.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 18.798 -15.387 -6.873 0.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 19.486 -14.436 -5.917 0.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 21.443 -29.381 -8.660 0.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 21.934 -30.011 -9.188 0.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 22.066 -29.085 -7.997 0.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 28.347 -14.139 -7.808 0.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 29.213 -13.773 -7.986 0.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 28.100 -14.579 -8.621 0.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 22.676 -31.230 8.147 0.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 23.575 -31.504 7.962 0.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 22.290 -31.973 8.611 0.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 21.301 -14.429 -9.180 0.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 21.033 -14.142 -8.307 0.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 22.072 -14.975 -9.028 0.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 18.659 -24.959 14.848 0.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 18.211 -24.113 14.830 0.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 18.098 -25.539 14.333 0.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 23.442 -27.756 17.333 0.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 23.485 -26.896 16.915 0.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 22.984 -28.308 16.700 0.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 20.062 -25.359 18.095 0.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 20.716 -25.909 18.527 0.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 20.086 -25.633 17.179 0.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 19.350 -19.527 13.264 0.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 19.078 -19.298 12.375 0.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 19.395 -18.689 13.724 0.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 22.586 -22.785 13.784 0.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 22.294 -22.017 13.293 0.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 21.912 -23.445 13.621 0.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 23.635 -25.442 15.645 0.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 22.742 -25.783 15.586 0.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 24.086 -25.819 14.889 0.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 24.754 -27.969 9.398 0.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 24.323 -28.414 10.128 0.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 24.036 -27.597 8.886 0.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 17.996 -28.227 16.450 0.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 18.627 -28.256 17.170 0.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 18.446 -28.652 15.720 0.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 21.045 -26.386 15.558 0.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 20.156 -26.286 15.218 0.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 21.341 -27.228 15.212 0.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 24.698 -26.386 13.214 0.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 25.630 -26.257 13.392 0.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 24.483 -25.716 12.565 0.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 23.372 -25.191 10.781 0.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 22.830 -25.571 10.090 0.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 24.206 -24.997 10.352 0.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 22.539 -29.091 15.036 0.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 22.222 -29.993 15.001 0.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 23.320 -29.089 14.484 0.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 19.962 -22.951 10.478 0.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 20.578 -22.324 10.857 0.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 19.100 -22.635 10.749 0.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 20.474 -28.117 23.359 0.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 19.581 -27.778 23.292 0.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 20.375 -28.972 23.777 0.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 21.377 -21.038 11.970 0.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 20.691 -20.686 12.537 0.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 21.900 -20.275 11.724 0.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 23.734 -28.852 11.807 0.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 23.651 -27.963 12.153 0.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 24.624 -29.117 12.038 0.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 21.993 -18.424 10.867 0.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 22.585 -17.725 11.143 0.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 22.452 -18.857 10.148 0.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 20.309 -25.760 9.983 0.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 20.264 -24.821 10.162 0.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 19.421 -25.996 9.713 0.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 21.117 -30.978 18.656 0.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 20.888 -30.919 17.729 0.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 20.674 -31.770 18.963 0.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 19.270 -18.729 10.286 0.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 20.184 -18.650 10.559 0.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 19.277 -19.416 9.619 0.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 18.467 -26.909 25.760 0.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 19.386 -27.031 25.996 0.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 18.017 -27.659 26.149 0.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 19.688 -28.597 18.651 0.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 20.133 -29.389 18.953 0.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 20.154 -27.881 19.082 0.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 17.992 -25.598 19.720 0.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 18.484 -25.819 18.930 0.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 18.354 -24.757 20.001 0.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 18.269 -30.602 22.119 0.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 17.604 -30.848 22.762 0.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 17.826 -29.980 21.542 0.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 20.745 -31.095 15.950 0.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 19.968 -31.329 15.442 0.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 21.276 -31.892 15.958 0.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 25.325 -31.168 15.763 0.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 26.199 -30.780 15.733 0.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 25.189 -31.383 16.686 0.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 19.483 -15.349 12.651 0.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 18.798 -15.387 11.983 0.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 19.486 -14.436 12.939 0.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 21.301 -14.429 9.676 0.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 21.033 -14.142 10.549 0.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 22.072 -14.975 9.828 0.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 22.840 -6.997 -10.823 0.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 22.073 -7.529 -11.033 0.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 23.519 -7.307 -11.422 0.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 21.021 -9.076 -11.118 0.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 21.232 -9.783 -11.729 0.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 20.909 -9.514 -10.274 0.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 26.155 -11.392 -10.085 0.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 26.024 -11.868 -10.906 0.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 25.556 -10.648 -10.141 0.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 22.676 -12.374 -10.709 0.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 23.575 -12.648 -10.894 0.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 22.290 -13.117 -10.245 0.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 29.824 -3.083 -2.948 0.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 29.913 -2.139 -3.080 0.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 29.185 -3.358 -3.606 0.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 28.757 -3.828 0.471 0.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 28.719 -4.474 1.176 0.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 28.434 -4.294 -0.300 0.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 21.125 -4.213 2.064 0.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 21.167 -4.839 2.788 0.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 21.828 -3.590 2.246 0.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 18.659 -6.103 -4.008 0.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 18.211 -5.257 -4.026 0.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 18.098 -6.683 -4.523 0.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 19.369 -3.941 -1.882 0.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 19.583 -4.711 -1.355 0.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 20.107 -3.852 -2.485 0.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 30.287 -7.001 1.205 0.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 30.430 -7.948 1.225 0.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 30.181 -6.794 0.276 0.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 31.164 -8.769 -3.122 0.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 31.810 -9.098 -2.497 0.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 31.674 -8.251 -3.745 0.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 20.062 -6.503 -0.761 0.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 20.716 -7.053 -0.329 0.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 20.086 -6.777 -1.677 0.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 25.218 -4.953 -1.545 0.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 25.834 -5.479 -1.036 0.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 24.632 -5.593 -1.949 0.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 32.928 -9.478 -1.141 0.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 32.713 -10.244 -0.609 0.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 33.584 -9.006 -0.628 0.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 33.275 -10.763 2.538 0.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 32.539 -10.152 2.500 0.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 33.959 -10.348 2.012 0.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 28.545 -3.839 -5.496 0.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 27.833 -3.304 -5.847 0.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 29.236 -3.783 -6.156 0.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 23.596 -2.999 -2.661 0.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 23.266 -3.369 -3.480 0.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 24.184 -3.669 -2.315 0.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 23.963 -4.230 0.972 0.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 24.528 -4.109 0.209 0.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 24.282 -3.593 1.611 0.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 22.586 -3.929 -5.072 0.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 22.294 -3.161 -5.563 0.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 21.912 -4.589 -5.235 0.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 28.210 -12.051 4.156 0.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 28.630 -12.466 4.909 0.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 27.277 -12.229 4.273 0.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 31.536 -8.295 5.010 0.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 31.022 -8.421 5.807 0.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 31.381 -7.383 4.765 0.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 27.872 -9.558 -8.559 0.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 27.618 -9.539 -7.636 0.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 27.615 -10.430 -8.860 0.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 23.638 -6.807 1.877 0.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 22.996 -6.848 2.586 0.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 23.675 -5.881 1.639 0.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 29.171 -6.170 -4.394 0.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 28.762 -5.355 -4.686 0.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 29.891 -6.310 -5.009 0.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 30.175 -6.724 -1.580 0.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 29.980 -6.119 -2.295 0.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 30.357 -7.558 -2.015 0.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 21.388 -6.487 3.744 0.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 21.350 -6.087 4.612 0.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 20.897 -7.304 3.834 0.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 24.754 -9.113 -9.458 0.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 24.323 -9.558 -8.728 0.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 24.036 -8.741 -9.970 0.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 19.271 -8.625 -6.982 0.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 19.745 -8.034 -7.567 0.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 18.553 -8.094 -6.635 0.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 29.439 -5.086 3.091 0.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 29.763 -5.717 2.448 0.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 28.999 -5.621 3.752 0.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 30.622 -9.924 1.139 0.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 29.945 -9.793 1.803 0.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 30.136 -10.079 0.329 0.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 23.372 -6.335 -8.075 0.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 22.830 -6.715 -8.766 0.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 24.206 -6.141 -8.504 0.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 30.605 -8.956 -7.940 0.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 29.667 -8.844 -8.091 0.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 30.902 -8.099 -7.634 0.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 31.323 -7.089 -6.279 0.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 32.215 -7.226 -5.960 0.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 31.380 -6.298 -6.816 0.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 21.832 -2.475 -0.370 0.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 22.577 -2.477 -0.971 0.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 21.910 -3.299 0.112 0.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 29.209 -9.520 3.393 0.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 29.907 -9.446 4.043 0.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 28.828 -10.384 3.548 0.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 29.993 -9.868 -5.510 0.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 30.213 -9.396 -6.313 0.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 30.551 -9.473 -4.839 0.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 27.729 -7.154 4.510 0.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 27.848 -6.580 5.267 0.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 28.384 -7.842 4.625 0.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 32.535 -5.496 -0.559 0.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 31.738 -5.911 -0.888 0.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 32.980 -6.187 -0.068 0.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 20.309 -6.904 -8.873 0.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 20.264 -5.965 -8.694 0.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 19.421 -7.140 -9.143 0.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 24.733 -3.443 -7.317 0.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 24.274 -3.927 -6.631 0.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 24.988 -4.111 -7.953 0.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 24.022 -5.550 5.039 0.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 23.404 -4.875 5.320 0.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 24.366 -5.229 4.206 0.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 25.804 -5.200 -9.054 0.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 25.624 -5.354 -9.982 0.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 26.755 -5.092 -9.010 0.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 24.362 -8.195 6.122 0.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 24.512 -8.924 5.519 0.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 24.364 -7.418 5.563 0.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 26.356 -4.386 3.854 0.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 27.107 -4.542 3.281 0.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 26.017 -3.534 3.578 0.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 22.840 -6.997 8.033 0.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 22.073 -7.529 7.823 0.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 23.519 -7.307 7.434 0.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 26.844 -8.047 7.609 0.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 26.608 -8.267 8.511 0.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 26.061 -8.254 7.100 0.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 29.560 -8.920 6.685 0.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 28.612 -8.888 6.817 0.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 29.872 -9.545 7.339 0.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 21.021 -9.076 7.738 0.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 21.232 -9.783 7.127 0.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 20.909 -9.514 8.582 0.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 25.802 -13.075 6.717 0.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 26.514 -13.715 6.703 0.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 25.701 -12.808 5.803 0.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 26.155 -11.392 8.771 0.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 26.024 -11.868 7.950 0.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 25.556 -10.648 8.715 0.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 18.467 -8.053 6.904 0.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 19.386 -8.175 7.140 0.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 18.017 -8.803 7.293 0.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 17.992 -6.742 0.864 0.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 18.484 -6.963 0.074 0.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 18.354 -5.901 1.145 0.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 18.305 -10.484 -5.081 0.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 17.380 -10.275 -5.211 0.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 18.759 -10.000 -5.771 0.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 33.561 -12.766 -0.616 0.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 34.165 -12.218 -1.117 0.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 32.692 -12.446 -0.856 0.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 19.582 -12.441 -7.103 0.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 20.021 -11.830 -7.694 0.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 18.948 -11.903 -6.629 0.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 30.882 -12.282 -1.444 0.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 30.958 -12.187 -2.393 0.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 30.606 -13.190 -1.315 0.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 32.235 -12.256 -5.751 0.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 31.532 -11.642 -5.961 0.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 31.790 -13.094 -5.620 0.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 21.443 -10.525 -8.660 0.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 21.934 -11.155 -9.188 0.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 22.066 -10.229 -7.997 0.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 22.676 -12.374 8.147 0.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 23.575 -12.648 7.962 0.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 22.290 -13.117 8.611 0.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 24.754 -9.113 9.398 0.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 24.323 -9.558 10.128 0.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 24.036 -8.741 8.886 0.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 21.443 -10.525 10.196 0.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 21.934 -11.155 9.668 0.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 22.066 -10.229 10.859 0.00 0.00 WAT1 END