REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:10-Jun-2009 12:08:57 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 1.914 -33.143 -15.402 1.00 33.43 ATOM 2 CB MET 1 1.328 -33.257 -17.455 1.00 11.31 ATOM 3 HB1 MET 1 1.760 -32.292 -17.682 1.00 37.63 ATOM 4 HB2 MET 1 0.281 -33.125 -17.215 1.00 10.33 ATOM 5 CG MET 1 1.429 -34.143 -18.686 1.00 5.31 ATOM 6 HG1 MET 1 0.734 -34.962 -18.579 1.00 37.63 ATOM 7 HG2 MET 1 2.430 -34.533 -18.774 1.00 64.33 ATOM 8 SD MET 1 1.042 -33.261 -20.210 1.00 42.12 ATOM 9 CE MET 1 2.507 -32.247 -20.396 1.00 51.12 ATOM 10 HE1 MET 1 2.465 -31.724 -21.340 1.00 62.33 ATOM 11 HE2 MET 1 3.385 -32.875 -20.372 1.00 63.13 ATOM 12 HE3 MET 1 2.555 -31.530 -19.590 1.00 70.23 ATOM 13 C MET 1 1.470 -35.186 -15.868 1.00 51.15 ATOM 14 O MET 1 1.673 -36.168 -16.581 1.00 22.34 ATOM 15 N MET 1 3.483 -33.922 -16.491 1.00 63.04 ATOM 16 HT1 MET 1 3.983 -34.174 -15.613 1.00 37.63 ATOM 17 HT2 MET 1 3.859 -33.009 -16.827 1.00 37.63 ATOM 18 HT3 MET 1 3.690 -34.651 -17.205 1.00 37.63 ATOM 19 CA MET 1 2.052 -33.823 -16.232 1.00 34.40 ATOM 20 N GLY 2 0.745 -35.237 -14.755 1.00 23.32 ATOM 21 HN GLY 2 0.616 -34.424 -14.214 1.00 37.63 ATOM 22 CA GLY 2 0.146 -36.484 -14.317 1.00 21.35 ATOM 23 HA1 GLY 2 0.699 -36.849 -13.465 1.00 37.63 ATOM 24 HA2 GLY 2 0.194 -37.228 -15.103 1.00 51.34 ATOM 25 C GLY 2 -1.305 -36.319 -13.911 1.00 71.10 ATOM 26 O GLY 2 -1.809 -35.199 -13.824 1.00 34.03 ATOM 27 N HIS 3 -1.980 -37.437 -13.664 1.00 21.41 ATOM 28 HN HIS 3 -1.519 -38.307 -13.736 1.00 37.63 ATOM 29 CA HIS 3 -3.383 -37.412 -13.266 1.00 51.34 ATOM 30 HA HIS 3 -3.859 -36.549 -13.722 1.00 32.50 ATOM 31 CB HIS 3 -4.093 -38.679 -13.742 1.00 72.35 ATOM 32 HB1 HIS 3 -4.966 -38.870 -13.129 1.00 37.63 ATOM 33 HB2 HIS 3 -3.420 -39.520 -13.663 1.00 63.20 ATOM 34 CG HIS 3 -4.568 -38.603 -15.161 1.00 22.11 ATOM 35 ND1 HIS 3 -3.986 -39.315 -16.189 1.00 2.14 ATOM 36 HD1 HIS 3 -3.225 -39.926 -16.103 1.00 51.35 ATOM 37 CD2 HIS 3 -5.577 -37.895 -15.720 1.00 44.31 ATOM 38 HD2 HIS 3 -6.251 -37.225 -15.206 1.00 5.10 ATOM 39 CE1 HIS 3 -4.615 -39.046 -17.319 1.00 21.33 ATOM 40 HE1 HIS 3 -4.378 -39.459 -18.288 1.00 3.31 ATOM 41 NE2 HIS 3 -5.585 -38.187 -17.062 1.00 21.42 ATOM 42 HE2 HIS 3 -6.265 -37.894 -17.704 1.00 37.63 ATOM 43 C HIS 3 -3.516 -37.278 -11.752 1.00 55.34 ATOM 44 O HIS 3 -4.045 -38.167 -11.084 1.00 53.14 ATOM 45 N HIS 4 -3.033 -36.161 -11.217 1.00 61.20 ATOM 46 HN HIS 4 -2.628 -35.477 -11.794 1.00 37.63 ATOM 47 CA HIS 4 -3.098 -35.911 -9.781 1.00 71.25 ATOM 48 HA HIS 4 -3.846 -36.563 -9.342 1.00 12.01 ATOM 49 CB HIS 4 -1.749 -36.212 -9.128 1.00 60.42 ATOM 50 HB1 HIS 4 -1.840 -36.099 -8.056 1.00 37.63 ATOM 51 HB2 HIS 4 -1.009 -35.515 -9.497 1.00 31.10 ATOM 52 CG HIS 4 -1.247 -37.597 -9.401 1.00 50.23 ATOM 53 ND1 HIS 4 0.021 -37.858 -9.876 1.00 40.52 ATOM 54 HD1 HIS 4 0.706 -37.187 -10.079 1.00 72.41 ATOM 55 CD2 HIS 4 -1.850 -38.801 -9.262 1.00 2.42 ATOM 56 HD2 HIS 4 -2.857 -38.977 -8.909 1.00 74.42 ATOM 57 CE1 HIS 4 0.176 -39.162 -10.019 1.00 12.33 ATOM 58 HE1 HIS 4 1.068 -39.657 -10.374 1.00 13.33 ATOM 59 NE2 HIS 4 -0.945 -39.757 -9.652 1.00 41.11 ATOM 60 HE2 HIS 4 -1.133 -40.714 -9.745 1.00 37.63 ATOM 61 C HIS 4 -3.502 -34.467 -9.499 1.00 73.33 ATOM 62 O HIS 4 -3.197 -33.563 -10.277 1.00 42.14 ATOM 63 N HIS 5 -4.192 -34.258 -8.382 1.00 64.21 ATOM 64 HN HIS 5 -4.396 -35.020 -7.789 1.00 37.63 ATOM 65 CA HIS 5 -4.638 -32.924 -7.997 1.00 41.15 ATOM 66 HA HIS 5 -4.795 -32.335 -8.893 1.00 55.41 ATOM 67 CB HIS 5 -5.962 -33.005 -7.238 1.00 32.43 ATOM 68 HB1 HIS 5 -6.645 -33.640 -7.784 1.00 37.63 ATOM 69 HB2 HIS 5 -6.385 -32.015 -7.160 1.00 63.24 ATOM 70 CG HIS 5 -5.825 -33.556 -5.852 1.00 3.34 ATOM 71 ND1 HIS 5 -6.129 -34.861 -5.526 1.00 51.43 ATOM 72 HD1 HIS 5 -6.457 -35.545 -6.147 1.00 74.10 ATOM 73 CD2 HIS 5 -5.411 -32.970 -4.704 1.00 23.14 ATOM 74 HD2 HIS 5 -5.091 -31.944 -4.587 1.00 23.25 ATOM 75 CE1 HIS 5 -5.910 -35.053 -4.238 1.00 30.51 ATOM 76 HE1 HIS 5 -6.061 -35.979 -3.703 1.00 45.42 ATOM 77 NE2 HIS 5 -5.473 -33.922 -3.716 1.00 11.34 ATOM 78 HE2 HIS 5 -5.322 -33.762 -2.761 1.00 37.63 ATOM 79 C HIS 5 -3.587 -32.226 -7.139 1.00 33.11 ATOM 80 O HIS 5 -2.554 -32.809 -6.808 1.00 33.03 ATOM 81 N HIS 6 -3.858 -30.974 -6.782 1.00 64.42 ATOM 82 HN HIS 6 -4.701 -30.557 -7.083 1.00 37.63 ATOM 83 CA HIS 6 -2.935 -30.197 -5.962 1.00 73.01 ATOM 84 HA HIS 6 -2.780 -30.732 -5.039 1.00 25.32 ATOM 85 CB HIS 6 -1.596 -30.032 -6.681 1.00 1.23 ATOM 86 HB1 HIS 6 -1.131 -30.996 -6.794 1.00 37.63 ATOM 87 HB2 HIS 6 -0.939 -29.405 -6.097 1.00 51.21 ATOM 88 CG HIS 6 -1.719 -29.426 -8.045 1.00 23.21 ATOM 89 ND1 HIS 6 -2.261 -30.098 -9.120 1.00 51.53 ATOM 90 HD1 HIS 6 -2.581 -31.016 -9.122 1.00 43.55 ATOM 91 CD2 HIS 6 -1.367 -28.203 -8.505 1.00 40.05 ATOM 92 HD2 HIS 6 -0.910 -27.409 -7.931 1.00 65.54 ATOM 93 CE1 HIS 6 -2.236 -29.314 -10.184 1.00 31.13 ATOM 94 HE1 HIS 6 -2.595 -29.574 -11.169 1.00 33.43 ATOM 95 NE2 HIS 6 -1.699 -28.158 -9.837 1.00 63.43 ATOM 96 HE2 HIS 6 -1.647 -27.365 -10.410 1.00 37.63 ATOM 97 C HIS 6 -3.522 -28.828 -5.634 1.00 13.51 ATOM 98 O HIS 6 -4.648 -28.514 -6.022 1.00 33.11 ATOM 99 N HIS 7 -2.752 -28.015 -4.916 1.00 74.53 ATOM 100 HN HIS 7 -1.873 -28.331 -4.603 1.00 37.63 ATOM 101 CA HIS 7 -3.196 -26.679 -4.536 1.00 35.33 ATOM 102 HA HIS 7 -4.034 -26.800 -3.868 1.00 74.31 ATOM 103 CB HIS 7 -2.068 -25.926 -3.831 1.00 14.53 ATOM 104 HB1 HIS 7 -1.513 -25.329 -4.545 1.00 37.63 ATOM 105 HB2 HIS 7 -1.392 -26.638 -3.376 1.00 61.35 ATOM 106 CG HIS 7 -2.545 -25.018 -2.739 1.00 14.11 ATOM 107 ND1 HIS 7 -3.544 -25.365 -1.854 1.00 31.51 ATOM 108 HD1 HIS 7 -4.025 -26.217 -1.836 1.00 14.41 ATOM 109 CD2 HIS 7 -2.154 -23.770 -2.391 1.00 4.03 ATOM 110 HD2 HIS 7 -1.385 -23.182 -2.872 1.00 34.31 ATOM 111 CE1 HIS 7 -3.747 -24.370 -1.010 1.00 11.14 ATOM 112 HE1 HIS 7 -4.469 -24.360 -0.207 1.00 12.20 ATOM 113 NE2 HIS 7 -2.916 -23.390 -1.313 1.00 44.35 ATOM 114 HE2 HIS 7 -2.789 -22.574 -0.785 1.00 37.63 ATOM 115 C HIS 7 -3.664 -25.893 -5.757 1.00 65.53 ATOM 116 O HIS 7 -3.418 -26.293 -6.896 1.00 54.11 ATOM 117 N HIS 8 -4.338 -24.775 -5.513 1.00 12.52 ATOM 118 HN HIS 8 -4.515 -24.514 -4.578 1.00 37.63 ATOM 119 CA HIS 8 -4.840 -23.933 -6.593 1.00 42.32 ATOM 120 HA HIS 8 -5.565 -24.505 -7.154 1.00 15.02 ATOM 121 CB HIS 8 -5.525 -22.690 -6.024 1.00 30.12 ATOM 122 HB1 HIS 8 -6.352 -23.000 -5.402 1.00 37.63 ATOM 123 HB2 HIS 8 -5.903 -22.083 -6.835 1.00 51.20 ATOM 124 CG HIS 8 -4.620 -21.836 -5.190 1.00 32.31 ATOM 125 ND1 HIS 8 -4.486 -21.990 -3.826 1.00 62.43 ATOM 126 HD1 HIS 8 -4.954 -22.652 -3.276 1.00 60.23 ATOM 127 CD2 HIS 8 -3.800 -20.816 -5.534 1.00 52.04 ATOM 128 HD2 HIS 8 -3.664 -20.412 -6.525 1.00 71.23 ATOM 129 CE1 HIS 8 -3.624 -21.101 -3.368 1.00 4.33 ATOM 130 HE1 HIS 8 -3.322 -20.987 -2.337 1.00 23.35 ATOM 131 NE2 HIS 8 -3.192 -20.376 -4.384 1.00 55.12 ATOM 132 HE2 HIS 8 -2.622 -19.583 -4.309 1.00 37.63 ATOM 133 C HIS 8 -3.709 -23.520 -7.530 1.00 63.03 ATOM 134 O HIS 8 -3.883 -23.478 -8.748 1.00 64.52 ATOM 135 N SER 9 -2.551 -23.215 -6.954 1.00 25.02 ATOM 136 HN SER 9 -2.464 -23.268 -5.974 1.00 37.63 ATOM 137 CA SER 9 -1.392 -22.801 -7.737 1.00 74.01 ATOM 138 HA SER 9 -1.183 -23.583 -8.458 1.00 11.25 ATOM 139 CB SER 9 -1.698 -21.507 -8.494 1.00 1.25 ATOM 140 HB1 SER 9 -1.960 -20.733 -7.790 1.00 37.63 ATOM 141 HB2 SER 9 -2.516 -21.663 -9.176 1.00 31.20 ATOM 142 OG SER 9 -0.574 -21.075 -9.241 1.00 21.41 ATOM 143 HG SER 9 -0.810 -20.300 -9.755 1.00 51.22 ATOM 144 C SER 9 -0.173 -22.604 -6.842 1.00 20.35 ATOM 145 O SER 9 -0.209 -21.828 -5.886 1.00 63.11 ATOM 146 N HIS 10 0.906 -23.313 -7.158 1.00 21.34 ATOM 147 HN HIS 10 0.870 -23.945 -7.915 1.00 37.63 ATOM 148 CA HIS 10 2.138 -23.217 -6.383 1.00 20.25 ATOM 149 HA HIS 10 2.127 -22.282 -5.837 1.00 25.43 ATOM 150 CB HIS 10 2.237 -24.382 -5.397 1.00 5.33 ATOM 151 HB1 HIS 10 2.586 -25.271 -5.907 1.00 37.63 ATOM 152 HB2 HIS 10 1.257 -24.578 -4.985 1.00 52.34 ATOM 153 CG HIS 10 3.159 -24.116 -4.246 1.00 40.45 ATOM 154 ND1 HIS 10 3.800 -25.117 -3.548 1.00 74.31 ATOM 155 HD1 HIS 10 3.722 -26.078 -3.725 1.00 12.23 ATOM 156 CD2 HIS 10 3.548 -22.952 -3.674 1.00 71.24 ATOM 157 HD2 HIS 10 3.240 -21.958 -3.967 1.00 21.32 ATOM 158 CE1 HIS 10 4.541 -24.582 -2.595 1.00 41.30 ATOM 159 HE1 HIS 10 5.154 -25.125 -1.891 1.00 11.15 ATOM 160 NE2 HIS 10 4.406 -23.269 -2.650 1.00 44.15 ATOM 161 HE2 HIS 10 4.919 -22.626 -2.117 1.00 37.63 ATOM 162 C HIS 10 3.357 -23.206 -7.300 1.00 3.15 ATOM 163 O HIS 10 4.471 -23.505 -6.870 1.00 61.45 ATOM 164 N MET 11 3.138 -22.859 -8.564 1.00 32.24 ATOM 165 HN MET 11 2.242 -22.599 -8.864 1.00 37.63 ATOM 166 CA MET 11 4.219 -22.809 -9.541 1.00 3.14 ATOM 167 HA MET 11 3.781 -22.488 -10.474 1.00 42.14 ATOM 168 CB MET 11 5.293 -21.815 -9.094 1.00 51.51 ATOM 169 HB1 MET 11 6.259 -22.235 -9.324 1.00 37.63 ATOM 170 HB2 MET 11 5.241 -21.657 -8.028 1.00 64.44 ATOM 171 CG MET 11 5.172 -20.452 -9.756 1.00 51.42 ATOM 172 HG1 MET 11 4.856 -19.736 -9.011 1.00 37.63 ATOM 173 HG2 MET 11 4.436 -20.484 -10.548 1.00 64.04 ATOM 174 SD MET 11 6.730 -19.882 -10.462 1.00 41.41 ATOM 175 CE MET 11 7.853 -20.197 -9.103 1.00 21.40 ATOM 176 HE1 MET 11 7.365 -19.966 -8.167 1.00 72.03 ATOM 177 HE2 MET 11 8.729 -19.575 -9.212 1.00 24.52 ATOM 178 HE3 MET 11 8.150 -21.235 -9.110 1.00 52.21 ATOM 179 C MET 11 4.838 -24.189 -9.738 1.00 5.12 ATOM 180 O MET 11 4.692 -25.086 -8.907 1.00 40.22 ATOM 181 N PRO 12 5.547 -24.365 -10.863 1.00 71.50 ATOM 182 CA PRO 12 6.202 -25.634 -11.195 1.00 4.01 ATOM 183 HA PRO 12 5.508 -26.461 -11.157 1.00 3.20 ATOM 184 CB PRO 12 6.673 -25.424 -12.636 1.00 53.34 ATOM 185 HB1 PRO 12 5.921 -25.799 -13.314 1.00 37.63 ATOM 186 HB2 PRO 12 7.605 -25.935 -12.819 1.00 32.34 ATOM 187 CG PRO 12 6.823 -23.948 -12.774 1.00 53.04 ATOM 188 HG1 PRO 12 6.670 -23.658 -13.803 1.00 37.63 ATOM 189 HG2 PRO 12 7.805 -23.646 -12.440 1.00 52.22 ATOM 190 CD PRO 12 5.763 -23.340 -11.898 1.00 30.23 ATOM 191 HD1 PRO 12 4.860 -23.165 -12.463 1.00 37.63 ATOM 192 HD2 PRO 12 6.126 -22.431 -11.483 1.00 21.23 ATOM 193 C PRO 12 7.390 -25.928 -10.285 1.00 31.42 ATOM 194 O PRO 12 8.543 -25.745 -10.675 1.00 23.44 ATOM 195 N ASP 13 7.100 -26.385 -9.072 1.00 23.35 ATOM 196 HN ASP 13 6.154 -26.516 -8.819 1.00 37.63 ATOM 197 CA ASP 13 8.145 -26.707 -8.106 1.00 51.21 ATOM 198 HA ASP 13 8.803 -25.849 -8.020 1.00 65.21 ATOM 199 CB ASP 13 7.530 -27.010 -6.739 1.00 32.00 ATOM 200 HB1 ASP 13 8.207 -27.626 -6.158 1.00 37.63 ATOM 201 HB2 ASP 13 6.600 -27.543 -6.873 1.00 25.03 ATOM 202 CG ASP 13 7.247 -25.753 -5.940 1.00 25.25 ATOM 203 OD1 ASP 13 6.932 -24.716 -6.558 1.00 53.41 ATOM 204 OD2 ASP 13 7.343 -25.807 -4.695 1.00 42.03 ATOM 205 C ASP 13 8.975 -27.896 -8.579 1.00 71.03 ATOM 206 O ASP 13 10.204 -27.834 -8.614 1.00 44.11 ATOM 207 N HIS 14 8.295 -28.979 -8.942 1.00 32.11 ATOM 208 HN HIS 14 7.309 -28.971 -8.888 1.00 37.63 ATOM 209 CA HIS 14 8.970 -30.183 -9.413 1.00 34.53 ATOM 210 HA HIS 14 9.578 -29.917 -10.267 1.00 43.44 ATOM 211 CB HIS 14 9.874 -30.749 -8.317 1.00 14.43 ATOM 212 HB1 HIS 14 9.305 -30.889 -7.416 1.00 37.63 ATOM 213 HB2 HIS 14 10.674 -30.055 -8.121 1.00 14.53 ATOM 214 CG HIS 14 10.502 -32.060 -8.676 1.00 3.33 ATOM 215 ND1 HIS 14 9.967 -33.276 -8.310 1.00 33.52 ATOM 216 HD1 HIS 14 9.145 -33.407 -7.792 1.00 12.33 ATOM 217 CD2 HIS 14 11.628 -32.340 -9.374 1.00 33.24 ATOM 218 HD2 HIS 14 12.304 -31.621 -9.816 1.00 23.41 ATOM 219 CE1 HIS 14 10.736 -34.249 -8.765 1.00 43.35 ATOM 220 HE1 HIS 14 10.578 -35.303 -8.619 1.00 25.22 ATOM 221 NE2 HIS 14 11.751 -33.707 -9.415 1.00 71.31 ATOM 222 HE2 HIS 14 12.518 -34.199 -9.775 1.00 37.63 ATOM 223 C HIS 14 7.957 -31.239 -9.848 1.00 1.43 ATOM 224 O HIS 14 7.759 -31.469 -11.040 1.00 14.41 ATOM 225 N GLY 15 7.319 -31.878 -8.872 1.00 24.22 ATOM 226 HN GLY 15 7.479 -31.646 -7.936 1.00 37.63 ATOM 227 CA GLY 15 6.336 -32.902 -9.174 1.00 42.24 ATOM 228 HA1 GLY 15 5.468 -32.431 -9.614 1.00 37.63 ATOM 229 HA2 GLY 15 6.041 -33.378 -8.250 1.00 74.44 ATOM 230 C GLY 15 6.873 -33.961 -10.117 1.00 1.04 ATOM 231 O GLY 15 7.840 -34.653 -9.797 1.00 72.11 ATOM 232 N ASP 16 6.244 -34.089 -11.280 1.00 24.13 ATOM 233 HN ASP 16 5.467 -33.517 -11.482 1.00 37.63 ATOM 234 CA ASP 16 6.664 -35.072 -12.272 1.00 23.45 ATOM 235 HA ASP 16 7.644 -35.450 -12.001 1.00 12.33 ATOM 236 CB ASP 16 5.691 -36.252 -12.295 1.00 50.03 ATOM 237 HB1 ASP 16 5.659 -36.705 -11.321 1.00 37.63 ATOM 238 HB2 ASP 16 6.027 -36.985 -13.015 1.00 24.13 ATOM 239 CG ASP 16 4.280 -35.831 -12.656 1.00 32.04 ATOM 240 OD1 ASP 16 3.841 -36.133 -13.785 1.00 21.22 ATOM 241 OD2 ASP 16 3.614 -35.199 -11.809 1.00 4.44 ATOM 242 C ASP 16 6.753 -34.442 -13.658 1.00 30.01 ATOM 243 O ASP 16 5.743 -34.030 -14.229 1.00 21.51 ATOM 244 N TRP 17 7.967 -34.369 -14.192 1.00 74.11 ATOM 245 HN TRP 17 8.742 -34.726 -13.697 1.00 37.63 ATOM 246 CA TRP 17 8.187 -33.788 -15.511 1.00 50.45 ATOM 247 HA TRP 17 7.335 -33.169 -15.775 1.00 52.23 ATOM 248 CB TRP 17 9.442 -32.913 -15.503 1.00 31.21 ATOM 249 HB1 TRP 17 9.785 -32.748 -16.518 1.00 37.63 ATOM 250 HB2 TRP 17 10.223 -33.414 -14.949 1.00 71.41 ATOM 251 CG TRP 17 9.222 -31.565 -14.886 1.00 23.01 ATOM 252 CD1 TRP 17 9.353 -31.236 -13.567 1.00 33.32 ATOM 253 HD1 TRP 17 9.639 -31.931 -12.792 1.00 44.23 ATOM 254 CD2 TRP 17 8.832 -30.366 -15.564 1.00 10.23 ATOM 255 NE1 TRP 17 9.067 -29.905 -13.384 1.00 12.23 ATOM 256 HE1 TRP 17 9.091 -29.431 -12.527 1.00 1.31 ATOM 257 CE2 TRP 17 8.745 -29.348 -14.593 1.00 64.34 ATOM 258 CE3 TRP 17 8.549 -30.052 -16.896 1.00 2.13 ATOM 259 HE3 TRP 17 8.604 -30.803 -17.671 1.00 52.21 ATOM 260 CZ2 TRP 17 8.387 -28.042 -14.915 1.00 52.01 ATOM 261 HZ2 TRP 17 8.327 -27.270 -14.171 1.00 51.14 ATOM 262 CZ3 TRP 17 8.193 -28.755 -17.213 1.00 62.03 ATOM 263 HZ3 TRP 17 7.970 -28.495 -18.237 1.00 55.25 ATOM 264 CH2 TRP 17 8.115 -27.763 -16.227 1.00 2.21 ATOM 265 HH2 TRP 17 7.832 -26.763 -16.521 1.00 40.44 ATOM 266 C TRP 17 8.318 -34.876 -16.571 1.00 51.11 ATOM 267 O TRP 17 9.309 -34.932 -17.300 1.00 2.22 ATOM 268 N THR 18 7.311 -35.741 -16.653 1.00 5.21 ATOM 269 HN THR 18 6.542 -35.651 -16.045 1.00 37.63 ATOM 270 CA THR 18 7.315 -36.828 -17.623 1.00 61.22 ATOM 271 HA THR 18 7.791 -36.481 -18.533 1.00 34.24 ATOM 272 CB THR 18 8.106 -38.043 -17.102 1.00 73.33 ATOM 273 HB THR 18 9.072 -37.703 -16.756 1.00 1.14 ATOM 274 OG1 THR 18 8.293 -38.994 -18.156 1.00 62.23 ATOM 275 HG1 THR 18 9.070 -39.529 -17.975 1.00 42.24 ATOM 276 CG2 THR 18 7.379 -38.704 -15.940 1.00 45.50 ATOM 277 HG21 THR 18 8.071 -39.338 -15.405 1.00 62.21 ATOM 278 HG22 THR 18 6.569 -39.308 -16.314 1.00 51.31 ATOM 279 HG23 THR 18 6.990 -37.953 -15.264 1.00 35.15 ATOM 280 C THR 18 5.895 -37.267 -17.962 1.00 63.51 ATOM 281 O THR 18 4.928 -36.779 -17.377 1.00 71.44 ATOM 282 N TYR 19 5.777 -38.192 -18.909 1.00 2.33 ATOM 283 HN TYR 19 6.585 -38.505 -19.364 1.00 37.63 ATOM 284 CA TYR 19 4.474 -38.696 -19.327 1.00 3.34 ATOM 285 HA TYR 19 3.918 -37.870 -19.751 1.00 72.45 ATOM 286 CB TYR 19 4.641 -39.777 -20.395 1.00 63.32 ATOM 287 HB1 TYR 19 5.188 -39.358 -21.230 1.00 37.63 ATOM 288 HB2 TYR 19 3.662 -40.084 -20.743 1.00 5.23 ATOM 289 CG TYR 19 5.385 -41.000 -19.908 1.00 35.53 ATOM 290 CD1 TYR 19 4.698 -42.115 -19.441 1.00 13.52 ATOM 291 HD1 TYR 19 3.617 -42.103 -19.429 1.00 24.30 ATOM 292 CD2 TYR 19 6.773 -41.042 -19.913 1.00 2.00 ATOM 293 HD2 TYR 19 7.329 -40.191 -20.278 1.00 1.44 ATOM 294 CE1 TYR 19 5.372 -43.234 -18.994 1.00 24.12 ATOM 295 HE1 TYR 19 4.819 -44.090 -18.635 1.00 1.34 ATOM 296 CE2 TYR 19 7.456 -42.158 -19.469 1.00 42.33 ATOM 297 HE2 TYR 19 8.536 -42.171 -19.482 1.00 21.12 ATOM 298 CZ TYR 19 6.751 -43.251 -19.010 1.00 65.15 ATOM 299 OH TYR 19 7.428 -44.364 -18.566 1.00 42.13 ATOM 300 HH TYR 19 7.829 -44.183 -17.710 1.00 3.42 ATOM 301 C TYR 19 3.700 -39.255 -18.137 1.00 74.23 ATOM 302 O TYR 19 4.286 -39.632 -17.123 1.00 70.23 ATOM 303 N GLU 20 2.378 -39.306 -18.271 1.00 50.12 ATOM 304 HN GLU 20 1.971 -38.946 -19.093 1.00 37.63 ATOM 305 CA GLU 20 1.522 -39.819 -17.208 1.00 22.11 ATOM 306 HA GLU 20 1.579 -39.125 -16.380 1.00 5.23 ATOM 307 CB GLU 20 0.069 -39.892 -17.683 1.00 25.33 ATOM 308 HB1 GLU 20 -0.290 -38.882 -17.827 1.00 37.63 ATOM 309 HB2 GLU 20 -0.535 -40.371 -16.923 1.00 12.23 ATOM 310 CG GLU 20 -0.107 -40.652 -18.986 1.00 72.34 ATOM 311 HG1 GLU 20 0.080 -41.698 -18.806 1.00 37.63 ATOM 312 HG2 GLU 20 0.588 -40.288 -19.723 1.00 43.22 ATOM 313 CD GLU 20 -1.507 -40.519 -19.554 1.00 42.25 ATOM 314 OE1 GLU 20 -1.680 -39.759 -20.530 1.00 53.14 ATOM 315 OE2 GLU 20 -2.428 -41.173 -19.024 1.00 31.43 ATOM 316 C GLU 20 1.990 -41.198 -16.751 1.00 73.12 ATOM 317 O GLU 20 1.989 -42.153 -17.527 1.00 40.13 ATOM 318 N GLU 21 2.388 -41.292 -15.487 1.00 25.55 ATOM 319 HN GLU 21 2.368 -40.490 -14.912 1.00 37.63 ATOM 320 CA GLU 21 2.860 -42.554 -14.927 1.00 52.10 ATOM 321 HA GLU 21 2.063 -43.273 -15.048 1.00 41.42 ATOM 322 CB GLU 21 4.115 -43.026 -15.663 1.00 24.31 ATOM 323 HB1 GLU 21 4.992 -42.587 -15.204 1.00 37.63 ATOM 324 HB2 GLU 21 4.082 -42.711 -16.688 1.00 2.42 ATOM 325 CG GLU 21 4.294 -44.535 -15.655 1.00 70.22 ATOM 326 HG1 GLU 21 4.452 -44.860 -14.637 1.00 37.63 ATOM 327 HG2 GLU 21 5.160 -44.785 -16.249 1.00 35.44 ATOM 328 CD GLU 21 3.093 -45.268 -16.220 1.00 54.23 ATOM 329 OE1 GLU 21 2.671 -46.274 -15.613 1.00 12.21 ATOM 330 OE2 GLU 21 2.574 -44.834 -17.271 1.00 23.04 ATOM 331 C GLU 21 3.154 -42.412 -13.436 1.00 52.24 ATOM 332 O GLU 21 3.433 -41.316 -12.951 1.00 22.12 ATOM 333 N GLN 22 3.088 -43.528 -12.717 1.00 52.43 ATOM 334 HN GLN 22 2.851 -44.375 -13.165 1.00 37.63 ATOM 335 CA GLN 22 3.346 -43.527 -11.282 1.00 75.31 ATOM 336 HA GLN 22 2.556 -42.958 -10.807 1.00 14.14 ATOM 337 CB GLN 22 3.342 -44.958 -10.742 1.00 24.33 ATOM 338 HB1 GLN 22 4.117 -45.073 -9.999 1.00 37.63 ATOM 339 HB2 GLN 22 3.558 -45.639 -11.556 1.00 61.04 ATOM 340 CG GLN 22 2.012 -45.377 -10.136 1.00 5.11 ATOM 341 HG1 GLN 22 1.986 -46.456 -10.080 1.00 37.63 ATOM 342 HG2 GLN 22 1.205 -45.034 -10.769 1.00 23.25 ATOM 343 CD GLN 22 1.805 -44.820 -8.741 1.00 64.12 ATOM 344 OE1 GLN 22 0.780 -44.203 -8.452 1.00 75.44 ATOM 345 NE2 GLN 22 2.781 -45.035 -7.867 1.00 23.33 ATOM 346 HE21 GLN 22 3.577 -45.540 -8.137 1.00 3.33 ATOM 347 HE22 GLN 22 2.665 -44.671 -6.964 1.00 42.24 ATOM 348 C GLN 22 4.678 -42.856 -10.969 1.00 4.34 ATOM 349 O GLN 22 5.569 -42.794 -11.817 1.00 31.15 ATOM 350 N PHE 23 4.809 -42.353 -9.745 1.00 53.14 ATOM 351 HN PHE 23 4.066 -42.446 -9.101 1.00 37.63 ATOM 352 CA PHE 23 6.033 -41.684 -9.320 1.00 72.11 ATOM 353 HA PHE 23 6.443 -41.162 -10.179 1.00 33.44 ATOM 354 CB PHE 23 5.728 -40.673 -8.212 1.00 65.44 ATOM 355 HB1 PHE 23 5.819 -41.135 -7.236 1.00 37.63 ATOM 356 HB2 PHE 23 4.707 -40.329 -8.329 1.00 64.31 ATOM 357 CG PHE 23 6.605 -39.455 -8.256 1.00 3.35 ATOM 358 CD1 PHE 23 6.606 -38.625 -9.365 1.00 1.52 ATOM 359 HD1 PHE 23 5.968 -38.857 -10.207 1.00 43.13 ATOM 360 CD2 PHE 23 7.429 -39.140 -7.187 1.00 0.51 ATOM 361 HD2 PHE 23 7.440 -39.778 -6.314 1.00 2.51 ATOM 362 CE1 PHE 23 7.412 -37.502 -9.408 1.00 15.03 ATOM 363 HE1 PHE 23 7.414 -36.876 -10.277 1.00 12.11 ATOM 364 CE2 PHE 23 8.236 -38.018 -7.224 1.00 21.21 ATOM 365 HE2 PHE 23 8.878 -37.788 -6.407 1.00 1.32 ATOM 366 CZ PHE 23 8.228 -37.199 -8.336 1.00 63.10 ATOM 367 HZ PHE 23 8.853 -36.328 -8.363 1.00 73.41 ATOM 368 C PHE 23 7.064 -42.697 -8.831 1.00 10.13 ATOM 369 O PHE 23 7.114 -43.026 -7.646 1.00 30.55 ATOM 370 N LYS 24 7.886 -43.188 -9.752 1.00 54.13 ATOM 371 HN LYS 24 7.803 -42.879 -10.686 1.00 37.63 ATOM 372 CA LYS 24 8.917 -44.163 -9.417 1.00 51.33 ATOM 373 HA LYS 24 8.461 -44.937 -8.814 1.00 53.13 ATOM 374 CB LYS 24 9.491 -44.787 -10.691 1.00 50.43 ATOM 375 HB1 LYS 24 10.248 -44.129 -11.102 1.00 37.63 ATOM 376 HB2 LYS 24 8.698 -44.879 -11.423 1.00 12.42 ATOM 377 CG LYS 24 10.126 -46.149 -10.469 1.00 15.41 ATOM 378 HG1 LYS 24 10.517 -46.217 -9.459 1.00 37.63 ATOM 379 HG2 LYS 24 10.943 -46.257 -11.169 1.00 71.51 ATOM 380 CD LYS 24 9.134 -47.273 -10.717 1.00 11.12 ATOM 381 HD1 LYS 24 9.683 -48.148 -11.033 1.00 37.63 ATOM 382 HD2 LYS 24 8.435 -46.995 -11.495 1.00 55.23 ATOM 383 CE LYS 24 8.359 -47.621 -9.455 1.00 64.30 ATOM 384 HE1 LYS 24 7.629 -46.848 -9.272 1.00 37.63 ATOM 385 HE2 LYS 24 9.041 -47.679 -8.617 1.00 21.14 ATOM 386 NZ LYS 24 7.651 -48.925 -9.581 1.00 63.21 ATOM 387 HZ1 LYS 24 7.133 -49.133 -8.703 1.00 43.12 ATOM 388 HZ2 LYS 24 8.333 -49.692 -9.754 1.00 13.34 ATOM 389 HZ3 LYS 24 6.972 -48.894 -10.370 1.00 62.11 ATOM 390 C LYS 24 10.035 -43.515 -8.607 1.00 43.23 ATOM 391 O LYS 24 10.854 -44.205 -8.001 1.00 61.23 ATOM 392 N GLN 25 10.062 -42.186 -8.601 1.00 11.00 ATOM 393 HN GLN 25 9.426 -41.678 -9.146 1.00 37.63 ATOM 394 CA GLN 25 11.080 -41.446 -7.864 1.00 71.33 ATOM 395 HA GLN 25 12.027 -41.649 -8.339 1.00 32.32 ATOM 396 CB GLN 25 10.779 -39.947 -7.902 1.00 73.13 ATOM 397 HB1 GLN 25 10.235 -39.670 -7.013 1.00 37.63 ATOM 398 HB2 GLN 25 10.170 -39.720 -8.766 1.00 61.31 ATOM 399 CG GLN 25 12.024 -39.078 -7.973 1.00 11.05 ATOM 400 HG1 GLN 25 12.607 -39.234 -7.076 1.00 37.63 ATOM 401 HG2 GLN 25 11.717 -38.043 -8.023 1.00 4.21 ATOM 402 CD GLN 25 12.880 -39.382 -9.186 1.00 61.00 ATOM 403 OE1 GLN 25 12.530 -39.028 -10.312 1.00 54.20 ATOM 404 NE2 GLN 25 14.011 -40.042 -8.963 1.00 13.21 ATOM 405 HE21 GLN 25 14.243 -40.301 -8.043 1.00 31.05 ATOM 406 HE22 GLN 25 14.578 -40.247 -9.736 1.00 72.21 ATOM 407 C GLN 25 11.160 -41.924 -6.418 1.00 64.32 ATOM 408 O GLN 25 12.234 -42.276 -5.928 1.00 64.45 ATOM 409 N LEU 26 10.019 -41.934 -5.739 1.00 53.03 ATOM 410 HN LEU 26 9.191 -41.635 -6.186 1.00 37.63 ATOM 411 CA LEU 26 9.960 -42.369 -4.348 1.00 15.30 ATOM 412 HA LEU 26 10.533 -41.674 -3.783 1.00 75.23 ATOM 413 CB LEU 26 8.512 -42.364 -3.853 1.00 22.13 ATOM 414 HB1 LEU 26 8.380 -43.178 -3.151 1.00 37.63 ATOM 415 HB2 LEU 26 7.863 -42.550 -4.699 1.00 22.35 ATOM 416 CG LEU 26 8.042 -41.082 -3.164 1.00 64.05 ATOM 417 HG LEU 26 8.137 -40.256 -3.854 1.00 3.14 ATOM 418 CD1 LEU 26 6.579 -41.195 -2.767 1.00 72.10 ATOM 419 HD11 LEU 26 6.473 -41.903 -1.955 1.00 63.04 ATOM 420 HD12 LEU 26 5.997 -41.537 -3.609 1.00 41.42 ATOM 421 HD13 LEU 26 6.217 -40.229 -2.449 1.00 33.13 ATOM 422 CD2 LEU 26 8.906 -40.783 -1.948 1.00 12.24 ATOM 423 HD21 LEU 26 9.093 -41.688 -1.385 1.00 11.22 ATOM 424 HD22 LEU 26 8.407 -40.064 -1.310 1.00 75.51 ATOM 425 HD23 LEU 26 9.838 -40.361 -2.276 1.00 64.53 ATOM 426 C LEU 26 10.560 -43.762 -4.187 1.00 13.33 ATOM 427 O LEU 26 11.099 -44.098 -3.132 1.00 71.11 ATOM 428 N TYR 27 10.464 -44.567 -5.239 1.00 44.51 ATOM 429 HN TYR 27 9.989 -44.271 -6.041 1.00 37.63 ATOM 430 CA TYR 27 10.998 -45.923 -5.214 1.00 73.34 ATOM 431 HA TYR 27 10.867 -46.329 -4.216 1.00 14.52 ATOM 432 CB TYR 27 10.245 -46.808 -6.210 1.00 1.21 ATOM 433 HB1 TYR 27 10.829 -47.699 -6.416 1.00 37.63 ATOM 434 HB2 TYR 27 10.102 -46.267 -7.130 1.00 50.33 ATOM 435 CG TYR 27 8.882 -47.243 -5.723 1.00 34.24 ATOM 436 CD1 TYR 27 8.586 -48.587 -5.533 1.00 25.54 ATOM 437 HD1 TYR 27 9.344 -49.325 -5.746 1.00 10.23 ATOM 438 CD2 TYR 27 7.889 -46.310 -5.451 1.00 54.23 ATOM 439 HD2 TYR 27 8.090 -45.261 -5.594 1.00 21.11 ATOM 440 CE1 TYR 27 7.342 -48.990 -5.088 1.00 52.43 ATOM 441 HE1 TYR 27 7.126 -50.036 -4.949 1.00 43.52 ATOM 442 CE2 TYR 27 6.642 -46.703 -5.005 1.00 54.23 ATOM 443 HE2 TYR 27 5.885 -45.961 -4.802 1.00 23.52 ATOM 444 CZ TYR 27 6.373 -48.044 -4.826 1.00 11.32 ATOM 445 OH TYR 27 5.132 -48.440 -4.382 1.00 22.22 ATOM 446 HH TYR 27 5.189 -48.712 -3.467 1.00 23.21 ATOM 447 C TYR 27 12.489 -45.929 -5.538 1.00 54.31 ATOM 448 O TYR 27 13.233 -46.789 -5.069 1.00 40.21 ATOM 449 N GLU 28 12.916 -44.961 -6.343 1.00 42.01 ATOM 450 HN GLU 28 12.282 -44.313 -6.712 1.00 37.63 ATOM 451 CA GLU 28 14.318 -44.854 -6.730 1.00 50.21 ATOM 452 HA GLU 28 14.805 -45.810 -6.574 1.00 5.12 ATOM 453 CB GLU 28 14.435 -44.491 -8.212 1.00 74.31 ATOM 454 HB1 GLU 28 15.481 -44.336 -8.453 1.00 37.63 ATOM 455 HB2 GLU 28 13.894 -43.573 -8.390 1.00 2.21 ATOM 456 CG GLU 28 13.882 -45.556 -9.145 1.00 11.05 ATOM 457 HG1 GLU 28 12.805 -45.478 -9.158 1.00 37.63 ATOM 458 HG2 GLU 28 14.165 -46.534 -8.778 1.00 44.52 ATOM 459 CD GLU 28 14.394 -45.411 -10.565 1.00 14.45 ATOM 460 OE1 GLU 28 14.197 -44.329 -11.158 1.00 31.25 ATOM 461 OE2 GLU 28 14.990 -46.377 -11.083 1.00 22.43 ATOM 462 C GLU 28 15.038 -43.810 -5.882 1.00 4.04 ATOM 463 O GLU 28 15.962 -43.143 -6.350 1.00 11.53 ATOM 464 N LEU 29 14.610 -43.674 -4.632 1.00 34.03 ATOM 465 HN LEU 29 13.899 -44.250 -4.289 1.00 37.63 ATOM 466 CA LEU 29 15.212 -42.711 -3.716 1.00 65.24 ATOM 467 HA LEU 29 15.363 -41.781 -4.248 1.00 12.01 ATOM 468 CB LEU 29 14.285 -42.459 -2.527 1.00 13.14 ATOM 469 HB1 LEU 29 14.839 -41.929 -1.758 1.00 37.63 ATOM 470 HB2 LEU 29 14.000 -43.424 -2.128 1.00 31.45 ATOM 471 CG LEU 29 13.012 -41.666 -2.824 1.00 51.44 ATOM 472 HG LEU 29 12.516 -42.127 -3.638 1.00 2.43 ATOM 473 CD1 LEU 29 12.084 -41.673 -1.620 1.00 30.34 ATOM 474 HD11 LEU 29 11.770 -40.668 -1.384 1.00 63.03 ATOM 475 HD12 LEU 29 12.585 -42.090 -0.755 1.00 43.32 ATOM 476 HD13 LEU 29 11.216 -42.264 -1.835 1.00 15.33 ATOM 477 CD2 LEU 29 13.355 -40.239 -3.227 1.00 13.42 ATOM 478 HD21 LEU 29 13.838 -40.248 -4.192 1.00 12.23 ATOM 479 HD22 LEU 29 14.024 -39.803 -2.499 1.00 53.45 ATOM 480 HD23 LEU 29 12.453 -39.644 -3.289 1.00 24.43 ATOM 481 C LEU 29 16.569 -43.205 -3.223 1.00 14.33 ATOM 482 O LEU 29 17.570 -42.495 -3.316 1.00 63.14 ATOM 483 N ASP 30 16.593 -44.425 -2.699 1.00 22.30 ATOM 484 HN ASP 30 15.758 -44.939 -2.630 1.00 37.63 ATOM 485 CA ASP 30 17.827 -45.016 -2.193 1.00 42.34 ATOM 486 HA ASP 30 18.634 -44.301 -2.311 1.00 23.23 ATOM 487 CB ASP 30 17.683 -45.359 -0.710 1.00 31.10 ATOM 488 HB1 ASP 30 17.221 -46.331 -0.603 1.00 37.63 ATOM 489 HB2 ASP 30 17.057 -44.618 -0.231 1.00 55.40 ATOM 490 CG ASP 30 19.016 -45.382 0.011 1.00 23.42 ATOM 491 OD1 ASP 30 19.701 -46.425 -0.043 1.00 4.10 ATOM 492 OD2 ASP 30 19.374 -44.358 0.630 1.00 23.54 ATOM 493 C ASP 30 18.195 -46.267 -2.985 1.00 32.14 ATOM 494 O ASP 30 19.368 -46.522 -3.253 1.00 1.20 ATOM 495 N GLY 31 17.183 -47.046 -3.355 1.00 34.05 ATOM 496 HN GLY 31 16.263 -46.827 -3.100 1.00 37.63 ATOM 497 CA GLY 31 17.420 -48.262 -4.110 1.00 61.10 ATOM 498 HA1 GLY 31 18.299 -48.150 -4.734 1.00 37.63 ATOM 499 HA2 GLY 31 16.567 -48.436 -4.750 1.00 21.30 ATOM 500 C GLY 31 17.603 -49.473 -3.217 1.00 24.11 ATOM 501 O GLY 31 18.618 -50.165 -3.298 1.00 64.04 ATOM 502 N ASP 32 16.620 -49.729 -2.361 1.00 62.11 ATOM 503 HN ASP 32 15.827 -49.146 -2.337 1.00 37.63 ATOM 504 CA ASP 32 16.678 -50.865 -1.448 1.00 13.30 ATOM 505 HA ASP 32 17.620 -51.375 -1.609 1.00 44.43 ATOM 506 CB ASP 32 16.606 -50.384 0.002 1.00 31.43 ATOM 507 HB1 ASP 32 15.780 -50.854 0.522 1.00 37.63 ATOM 508 HB2 ASP 32 16.462 -49.318 0.008 1.00 45.35 ATOM 509 CG ASP 32 17.880 -50.673 0.771 1.00 1.45 ATOM 510 OD1 ASP 32 17.815 -51.420 1.770 1.00 73.31 ATOM 511 OD2 ASP 32 18.943 -50.151 0.374 1.00 30.45 ATOM 512 C ASP 32 15.544 -51.846 -1.729 1.00 14.33 ATOM 513 O ASP 32 14.497 -51.485 -2.267 1.00 52.21 ATOM 514 N PRO 33 15.755 -53.117 -1.357 1.00 71.00 ATOM 515 CA PRO 33 14.762 -54.176 -1.559 1.00 60.34 ATOM 516 HA PRO 33 14.444 -54.232 -2.586 1.00 65.31 ATOM 517 CB PRO 33 15.527 -55.453 -1.199 1.00 54.44 ATOM 518 HB1 PRO 33 15.952 -55.878 -2.096 1.00 37.63 ATOM 519 HB2 PRO 33 14.871 -56.178 -0.733 1.00 21.14 ATOM 520 CG PRO 33 16.596 -55.003 -0.265 1.00 43.42 ATOM 521 HG1 PRO 33 17.446 -55.666 -0.332 1.00 37.63 ATOM 522 HG2 PRO 33 16.215 -54.980 0.746 1.00 63.32 ATOM 523 CD PRO 33 16.979 -53.618 -0.710 1.00 61.21 ATOM 524 HD1 PRO 33 17.801 -53.656 -1.409 1.00 37.63 ATOM 525 HD2 PRO 33 17.236 -53.037 0.142 1.00 42.22 ATOM 526 C PRO 33 13.546 -54.011 -0.655 1.00 35.10 ATOM 527 O PRO 33 12.505 -54.631 -0.876 1.00 63.53 ATOM 528 N LYS 34 13.682 -53.170 0.365 1.00 61.51 ATOM 529 HN LYS 34 14.541 -52.727 0.532 1.00 37.63 ATOM 530 CA LYS 34 12.594 -52.921 1.303 1.00 71.52 ATOM 531 HA LYS 34 11.869 -53.723 1.230 1.00 15.22 ATOM 532 CB LYS 34 13.127 -52.888 2.737 1.00 31.10 ATOM 533 HB1 LYS 34 12.310 -52.662 3.411 1.00 37.63 ATOM 534 HB2 LYS 34 13.861 -52.094 2.808 1.00 51.35 ATOM 535 CG LYS 34 13.799 -54.181 3.166 1.00 5.52 ATOM 536 HG1 LYS 34 14.751 -53.930 3.616 1.00 37.63 ATOM 537 HG2 LYS 34 13.970 -54.817 2.306 1.00 0.44 ATOM 538 CD LYS 34 12.952 -54.944 4.170 1.00 12.53 ATOM 539 HD1 LYS 34 12.351 -55.666 3.638 1.00 37.63 ATOM 540 HD2 LYS 34 12.305 -54.266 4.711 1.00 33.20 ATOM 541 CE LYS 34 13.815 -55.680 5.183 1.00 63.54 ATOM 542 HE1 LYS 34 14.198 -54.965 5.896 1.00 37.63 ATOM 543 HE2 LYS 34 14.642 -56.157 4.672 1.00 23.34 ATOM 544 NZ LYS 34 13.045 -56.725 5.913 1.00 13.52 ATOM 545 HZ1 LYS 34 13.663 -57.209 6.596 1.00 14.34 ATOM 546 HZ2 LYS 34 12.670 -57.431 5.246 1.00 14.23 ATOM 547 HZ3 LYS 34 12.250 -56.294 6.430 1.00 5.13 ATOM 548 C LYS 34 11.888 -51.608 0.981 1.00 71.21 ATOM 549 O LYS 34 10.772 -51.364 1.439 1.00 34.31 ATOM 550 N ARG 35 12.545 -50.767 0.190 1.00 42.24 ATOM 551 HN ARG 35 13.440 -51.001 -0.134 1.00 37.63 ATOM 552 CA ARG 35 11.980 -49.479 -0.194 1.00 12.24 ATOM 553 HA ARG 35 11.867 -48.892 0.709 1.00 44.02 ATOM 554 CB ARG 35 12.914 -48.757 -1.166 1.00 41.32 ATOM 555 HB1 ARG 35 12.486 -48.744 -2.159 1.00 37.63 ATOM 556 HB2 ARG 35 13.856 -49.287 -1.224 1.00 42.41 ATOM 557 CG ARG 35 13.195 -47.313 -0.783 1.00 31.04 ATOM 558 HG1 ARG 35 12.417 -46.942 -0.127 1.00 37.63 ATOM 559 HG2 ARG 35 13.214 -46.716 -1.683 1.00 30.41 ATOM 560 CD ARG 35 14.539 -47.173 -0.084 1.00 74.44 ATOM 561 HD1 ARG 35 14.644 -46.141 0.217 1.00 37.63 ATOM 562 HD2 ARG 35 15.322 -47.428 -0.783 1.00 54.54 ATOM 563 NE ARG 35 14.640 -48.042 1.085 1.00 25.02 ATOM 564 HE ARG 35 14.053 -48.819 1.147 1.00 13.31 ATOM 565 CZ ARG 35 15.501 -47.841 2.077 1.00 32.11 ATOM 566 NH1 ARG 35 16.329 -46.806 2.041 1.00 21.43 ATOM 567 HH11 ARG 35 16.320 -46.164 1.296 1.00 30.23 ATOM 568 HH12 ARG 35 16.983 -46.670 2.789 1.00 2.41 ATOM 569 NH2 ARG 35 15.534 -48.676 3.108 1.00 15.10 ATOM 570 HH21 ARG 35 14.910 -49.460 3.142 1.00 45.14 ATOM 571 HH22 ARG 35 16.183 -48.527 3.857 1.00 43.12 ATOM 572 C ARG 35 10.604 -49.656 -0.830 1.00 23.41 ATOM 573 O ARG 35 9.593 -49.221 -0.280 1.00 14.31 ATOM 574 N LYS 36 10.575 -50.299 -1.993 1.00 14.24 ATOM 575 HN LYS 36 11.416 -50.575 -2.398 1.00 37.63 ATOM 576 CA LYS 36 9.324 -50.536 -2.705 1.00 5.53 ATOM 577 HA LYS 36 8.904 -49.577 -2.963 1.00 5.01 ATOM 578 CB LYS 36 9.587 -51.328 -3.988 1.00 14.34 ATOM 579 HB1 LYS 36 10.434 -50.911 -4.502 1.00 37.63 ATOM 580 HB2 LYS 36 8.727 -51.234 -4.624 1.00 63.32 ATOM 581 CG LYS 36 9.802 -52.813 -3.752 1.00 42.31 ATOM 582 HG1 LYS 36 9.783 -53.314 -4.708 1.00 37.63 ATOM 583 HG2 LYS 36 9.014 -53.221 -3.143 1.00 20.22 ATOM 584 CD LYS 36 11.141 -53.083 -3.087 1.00 21.14 ATOM 585 HD1 LYS 36 11.245 -54.151 -2.963 1.00 37.63 ATOM 586 HD2 LYS 36 11.184 -52.618 -2.127 1.00 74.44 ATOM 587 CE LYS 36 12.298 -52.590 -3.942 1.00 3.45 ATOM 588 HE1 LYS 36 13.208 -52.965 -3.522 1.00 37.63 ATOM 589 HE2 LYS 36 12.326 -51.516 -3.943 1.00 25.43 ATOM 590 NZ LYS 36 12.199 -53.078 -5.345 1.00 13.22 ATOM 591 HZ1 LYS 36 11.958 -54.092 -5.370 1.00 60.13 ATOM 592 HZ2 LYS 36 13.111 -52.946 -5.827 1.00 21.14 ATOM 593 HZ3 LYS 36 11.473 -52.544 -5.865 1.00 51.23 ATOM 594 C LYS 36 8.331 -51.287 -1.825 1.00 32.03 ATOM 595 O LYS 36 7.119 -51.154 -1.989 1.00 73.03 ATOM 596 N GLU 37 8.853 -52.075 -0.890 1.00 10.22 ATOM 597 HN GLU 37 9.822 -52.164 -0.804 1.00 37.63 ATOM 598 CA GLU 37 8.010 -52.846 0.016 1.00 21.31 ATOM 599 HA GLU 37 7.262 -53.365 -0.572 1.00 72.13 ATOM 600 CB GLU 37 8.848 -53.880 0.772 1.00 72.13 ATOM 601 HB1 GLU 37 8.227 -54.326 1.541 1.00 37.63 ATOM 602 HB2 GLU 37 9.680 -53.388 1.240 1.00 53.51 ATOM 603 CG GLU 37 9.387 -54.991 -0.113 1.00 74.44 ATOM 604 HG1 GLU 37 10.197 -54.602 -0.701 1.00 37.63 ATOM 605 HG2 GLU 37 8.599 -55.331 -0.772 1.00 43.43 ATOM 606 CD GLU 37 9.881 -56.183 0.683 1.00 63.32 ATOM 607 OE1 GLU 37 9.557 -56.268 1.886 1.00 2.00 ATOM 608 OE2 GLU 37 10.592 -57.031 0.104 1.00 43.44 ATOM 609 C GLU 37 7.296 -51.931 1.007 1.00 24.31 ATOM 610 O GLU 37 6.092 -52.058 1.230 1.00 23.33 ATOM 611 N PHE 38 8.048 -51.009 1.599 1.00 23.43 ATOM 612 HN PHE 38 9.007 -50.953 1.380 1.00 37.63 ATOM 613 CA PHE 38 7.489 -50.074 2.568 1.00 41.52 ATOM 614 HA PHE 38 6.978 -50.643 3.334 1.00 13.42 ATOM 615 CB PHE 38 8.605 -49.259 3.225 1.00 24.11 ATOM 616 HB1 PHE 38 9.157 -48.741 2.451 1.00 37.63 ATOM 617 HB2 PHE 38 9.277 -49.936 3.737 1.00 14.43 ATOM 618 CG PHE 38 8.105 -48.242 4.211 1.00 71.42 ATOM 619 CD1 PHE 38 7.686 -46.992 3.784 1.00 33.43 ATOM 620 HD1 PHE 38 7.721 -46.749 2.733 1.00 42.20 ATOM 621 CD2 PHE 38 8.053 -48.537 5.564 1.00 51.33 ATOM 622 HD2 PHE 38 8.377 -49.508 5.912 1.00 45.15 ATOM 623 CE1 PHE 38 7.226 -46.055 4.689 1.00 15.15 ATOM 624 HE1 PHE 38 6.903 -45.084 4.344 1.00 22.45 ATOM 625 CE2 PHE 38 7.593 -47.603 6.474 1.00 62.24 ATOM 626 HE2 PHE 38 7.566 -47.840 7.524 1.00 35.12 ATOM 627 CZ PHE 38 7.178 -46.361 6.036 1.00 40.05 ATOM 628 HZ PHE 38 6.817 -45.631 6.743 1.00 62.14 ATOM 629 C PHE 38 6.485 -49.137 1.902 1.00 2.11 ATOM 630 O PHE 38 5.413 -48.869 2.446 1.00 31.50 ATOM 631 N LEU 39 6.841 -48.641 0.722 1.00 14.22 ATOM 632 HN LEU 39 7.717 -48.883 0.337 1.00 37.63 ATOM 633 CA LEU 39 5.972 -47.733 -0.019 1.00 60.12 ATOM 634 HA LEU 39 5.711 -46.909 0.626 1.00 13.03 ATOM 635 CB LEU 39 6.696 -47.200 -1.257 1.00 72.30 ATOM 636 HB1 LEU 39 6.005 -46.624 -1.838 1.00 37.63 ATOM 637 HB2 LEU 39 7.009 -48.048 -1.850 1.00 53.33 ATOM 638 CG LEU 39 7.927 -46.333 -0.993 1.00 64.21 ATOM 639 HG LEU 39 8.699 -46.941 -0.547 1.00 14.51 ATOM 640 CD1 LEU 39 8.471 -45.767 -2.296 1.00 33.02 ATOM 641 HD11 LEU 39 7.690 -45.234 -2.821 1.00 72.30 ATOM 642 HD12 LEU 39 8.834 -46.576 -2.911 1.00 52.45 ATOM 643 HD13 LEU 39 9.283 -45.093 -2.082 1.00 52.15 ATOM 644 CD2 LEU 39 7.592 -45.212 -0.021 1.00 13.31 ATOM 645 HD21 LEU 39 6.746 -44.647 -0.389 1.00 14.34 ATOM 646 HD22 LEU 39 8.444 -44.552 0.080 1.00 54.23 ATOM 647 HD23 LEU 39 7.356 -45.623 0.945 1.00 70.34 ATOM 648 C LEU 39 4.680 -48.431 -0.433 1.00 25.44 ATOM 649 O LEU 39 3.585 -47.976 -0.106 1.00 14.34 ATOM 650 N ASP 40 4.818 -49.540 -1.151 1.00 74.31 ATOM 651 HN ASP 40 5.725 -49.853 -1.385 1.00 37.63 ATOM 652 CA ASP 40 3.662 -50.304 -1.606 1.00 72.15 ATOM 653 HA ASP 40 3.107 -49.685 -2.298 1.00 53.13 ATOM 654 CB ASP 40 4.115 -51.574 -2.328 1.00 61.03 ATOM 655 HB1 ASP 40 4.637 -52.217 -1.633 1.00 37.63 ATOM 656 HB2 ASP 40 4.786 -51.302 -3.129 1.00 54.33 ATOM 657 CG ASP 40 2.955 -52.348 -2.923 1.00 13.33 ATOM 658 OD1 ASP 40 3.082 -53.580 -3.079 1.00 51.25 ATOM 659 OD2 ASP 40 1.920 -51.721 -3.232 1.00 54.21 ATOM 660 C ASP 40 2.754 -50.666 -0.435 1.00 61.42 ATOM 661 O ASP 40 1.548 -50.424 -0.474 1.00 13.34 ATOM 662 N ASP 41 3.342 -51.249 0.604 1.00 71.12 ATOM 663 HN ASP 41 4.315 -51.418 0.576 1.00 37.63 ATOM 664 CA ASP 41 2.586 -51.645 1.787 1.00 65.34 ATOM 665 HA ASP 41 1.798 -52.317 1.473 1.00 72.33 ATOM 666 CB ASP 41 3.494 -52.378 2.776 1.00 61.01 ATOM 667 HB1 ASP 41 4.294 -51.719 3.084 1.00 37.63 ATOM 668 HB2 ASP 41 3.917 -53.245 2.290 1.00 3.12 ATOM 669 CG ASP 41 2.748 -52.841 4.012 1.00 25.01 ATOM 670 OD1 ASP 41 3.362 -52.867 5.099 1.00 31.23 ATOM 671 OD2 ASP 41 1.552 -53.178 3.892 1.00 32.12 ATOM 672 C ASP 41 1.955 -50.431 2.460 1.00 10.20 ATOM 673 O ASP 41 0.840 -50.505 2.979 1.00 3.10 ATOM 674 N LEU 42 2.674 -49.314 2.449 1.00 24.10 ATOM 675 HN LEU 42 3.567 -49.313 2.032 1.00 37.63 ATOM 676 CA LEU 42 2.185 -48.083 3.060 1.00 42.23 ATOM 677 HA LEU 42 1.945 -48.291 4.094 1.00 31.14 ATOM 678 CB LEU 42 3.268 -47.003 3.014 1.00 14.23 ATOM 679 HB1 LEU 42 3.584 -46.900 1.989 1.00 37.63 ATOM 680 HB2 LEU 42 4.111 -47.353 3.592 1.00 4.43 ATOM 681 CG LEU 42 2.864 -45.625 3.541 1.00 74.22 ATOM 682 HG LEU 42 1.864 -45.398 3.243 1.00 23.25 ATOM 683 CD1 LEU 42 2.906 -45.601 5.061 1.00 61.22 ATOM 684 HD11 LEU 42 2.566 -44.640 5.417 1.00 23.25 ATOM 685 HD12 LEU 42 3.918 -45.773 5.402 1.00 33.33 ATOM 686 HD13 LEU 42 2.259 -46.374 5.454 1.00 44.53 ATOM 687 CD2 LEU 42 3.769 -44.547 2.963 1.00 32.00 ATOM 688 HD21 LEU 42 3.704 -44.560 1.884 1.00 70.43 ATOM 689 HD22 LEU 42 4.792 -44.729 3.263 1.00 64.10 ATOM 690 HD23 LEU 42 3.456 -43.577 3.326 1.00 40.44 ATOM 691 C LEU 42 0.927 -47.588 2.354 1.00 12.32 ATOM 692 O LEU 42 -0.060 -47.232 2.999 1.00 70.41 ATOM 693 N PHE 43 0.968 -47.569 1.026 1.00 11.10 ATOM 694 HN PHE 43 1.781 -47.888 0.569 1.00 37.63 ATOM 695 CA PHE 43 -0.170 -47.119 0.232 1.00 4.23 ATOM 696 HA PHE 43 -0.447 -46.135 0.556 1.00 1.23 ATOM 697 CB PHE 43 0.209 -47.054 -1.249 1.00 12.31 ATOM 698 HB1 PHE 43 -0.570 -46.531 -1.786 1.00 37.63 ATOM 699 HB2 PHE 43 0.292 -48.062 -1.641 1.00 12.02 ATOM 700 CG PHE 43 1.505 -46.340 -1.506 1.00 2.15 ATOM 701 CD1 PHE 43 1.841 -45.205 -0.785 1.00 21.33 ATOM 702 HD1 PHE 43 1.176 -44.838 -0.027 1.00 51.40 ATOM 703 CD2 PHE 43 2.388 -46.804 -2.467 1.00 42.12 ATOM 704 HD2 PHE 43 2.140 -47.688 -3.038 1.00 22.45 ATOM 705 CE1 PHE 43 3.033 -44.546 -1.020 1.00 20.35 ATOM 706 HE1 PHE 43 3.283 -43.662 -0.452 1.00 34.44 ATOM 707 CE2 PHE 43 3.582 -46.149 -2.706 1.00 71.32 ATOM 708 HE2 PHE 43 4.257 -46.513 -3.455 1.00 62.23 ATOM 709 CZ PHE 43 3.905 -45.020 -1.981 1.00 0.55 ATOM 710 HZ PHE 43 4.837 -44.506 -2.166 1.00 73.21 ATOM 711 C PHE 43 -1.367 -48.046 0.423 1.00 44.33 ATOM 712 O PHE 43 -2.484 -47.592 0.669 1.00 1.34 ATOM 713 N SER 44 -1.124 -49.347 0.306 1.00 71.33 ATOM 714 HN SER 44 -0.206 -49.652 0.108 1.00 37.63 ATOM 715 CA SER 44 -2.182 -50.339 0.460 1.00 1.03 ATOM 716 HA SER 44 -2.979 -50.095 -0.231 1.00 52.34 ATOM 717 CB SER 44 -1.654 -51.735 0.127 1.00 63.45 ATOM 718 HB1 SER 44 -2.353 -52.487 0.472 1.00 37.63 ATOM 719 HB2 SER 44 -0.701 -51.884 0.612 1.00 23.21 ATOM 720 OG SER 44 -1.482 -51.895 -1.271 1.00 70.20 ATOM 721 HG SER 44 -1.268 -52.811 -1.465 1.00 20.24 ATOM 722 C SER 44 -2.741 -50.320 1.880 1.00 61.13 ATOM 723 O SER 44 -3.915 -50.616 2.101 1.00 55.23 ATOM 724 N PHE 45 -1.891 -49.970 2.839 1.00 25.31 ATOM 725 HN PHE 45 -0.957 -49.753 2.611 1.00 37.63 ATOM 726 CA PHE 45 -2.298 -49.913 4.238 1.00 23.42 ATOM 727 HA PHE 45 -2.807 -50.831 4.483 1.00 31.52 ATOM 728 CB PHE 45 -1.071 -49.788 5.144 1.00 42.32 ATOM 729 HB1 PHE 45 -0.416 -49.024 4.744 1.00 37.63 ATOM 730 HB2 PHE 45 -0.543 -50.733 5.147 1.00 23.13 ATOM 731 CG PHE 45 -1.408 -49.436 6.565 1.00 41.25 ATOM 732 CD1 PHE 45 -1.947 -50.385 7.418 1.00 51.20 ATOM 733 HD1 PHE 45 -2.125 -51.389 7.057 1.00 14.34 ATOM 734 CD2 PHE 45 -1.186 -48.156 7.046 1.00 10.25 ATOM 735 HD2 PHE 45 -0.766 -47.404 6.392 1.00 24.52 ATOM 736 CE1 PHE 45 -2.258 -50.064 8.726 1.00 31.51 ATOM 737 HE1 PHE 45 -2.681 -50.813 9.372 1.00 15.23 ATOM 738 CE2 PHE 45 -1.495 -47.830 8.354 1.00 44.24 ATOM 739 HE2 PHE 45 -1.329 -46.833 8.704 1.00 5.50 ATOM 740 CZ PHE 45 -2.032 -48.785 9.194 1.00 14.11 ATOM 741 HZ PHE 45 -2.277 -48.530 10.212 1.00 50.32 ATOM 742 C PHE 45 -3.246 -48.743 4.482 1.00 44.44 ATOM 743 O PHE 45 -4.380 -48.930 4.921 1.00 3.42 ATOM 744 N MET 46 -2.771 -47.535 4.193 1.00 72.21 ATOM 745 HN MET 46 -1.845 -47.454 3.864 1.00 37.63 ATOM 746 CA MET 46 -3.576 -46.334 4.380 1.00 52.54 ATOM 747 HA MET 46 -3.884 -46.302 5.410 1.00 64.21 ATOM 748 CB MET 46 -2.742 -45.085 4.087 1.00 54.33 ATOM 749 HB1 MET 46 -1.922 -45.069 4.792 1.00 37.63 ATOM 750 HB2 MET 46 -3.340 -44.215 4.244 1.00 5.31 ATOM 751 CG MET 46 -2.177 -45.049 2.676 1.00 3.33 ATOM 752 HG1 MET 46 -2.866 -44.535 2.042 1.00 37.63 ATOM 753 HG2 MET 46 -2.044 -46.045 2.308 1.00 14.34 ATOM 754 SD MET 46 -0.586 -44.205 2.587 1.00 1.53 ATOM 755 CE MET 46 -1.000 -42.624 3.321 1.00 50.23 ATOM 756 HE1 MET 46 -0.947 -41.862 2.569 1.00 23.14 ATOM 757 HE2 MET 46 -0.290 -42.408 4.091 1.00 65.43 ATOM 758 HE3 MET 46 -1.988 -42.633 3.744 1.00 62.44 ATOM 759 C MET 46 -4.808 -46.359 3.480 1.00 30.23 ATOM 760 O MET 46 -5.850 -45.802 3.825 1.00 61.40 ATOM 761 N GLN 47 -4.680 -47.008 2.328 1.00 73.34 ATOM 762 HN GLN 47 -3.818 -47.424 2.093 1.00 37.63 ATOM 763 CA GLN 47 -5.784 -47.105 1.379 1.00 2.34 ATOM 764 HA GLN 47 -6.124 -46.103 1.152 1.00 53.24 ATOM 765 CB GLN 47 -5.314 -47.768 0.084 1.00 71.43 ATOM 766 HB1 GLN 47 -4.817 -48.696 0.325 1.00 37.63 ATOM 767 HB2 GLN 47 -4.611 -47.106 -0.402 1.00 42.11 ATOM 768 CG GLN 47 -6.442 -48.067 -0.890 1.00 73.43 ATOM 769 HG1 GLN 47 -7.041 -47.175 -1.020 1.00 37.63 ATOM 770 HG2 GLN 47 -7.057 -48.858 -0.487 1.00 51.23 ATOM 771 CD GLN 47 -5.938 -48.514 -2.248 1.00 41.14 ATOM 772 OE1 GLN 47 -4.799 -48.963 -2.384 1.00 34.34 ATOM 773 NE2 GLN 47 -6.785 -48.393 -3.264 1.00 3.30 ATOM 774 HE21 GLN 47 -7.683 -48.027 -3.098 1.00 35.21 ATOM 775 HE22 GLN 47 -6.477 -48.677 -4.150 1.00 3.22 ATOM 776 C GLN 47 -6.946 -47.892 1.975 1.00 14.52 ATOM 777 O GLN 47 -8.105 -47.670 1.624 1.00 53.14 ATOM 778 N LYS 48 -6.630 -48.812 2.879 1.00 25.23 ATOM 779 HN LYS 48 -5.686 -48.962 3.116 1.00 37.63 ATOM 780 CA LYS 48 -7.647 -49.632 3.526 1.00 60.52 ATOM 781 HA LYS 48 -8.307 -50.024 2.760 1.00 52.11 ATOM 782 CB LYS 48 -6.994 -50.801 4.267 1.00 21.05 ATOM 783 HB1 LYS 48 -7.710 -51.225 4.962 1.00 37.63 ATOM 784 HB2 LYS 48 -6.156 -50.429 4.829 1.00 71.41 ATOM 785 CG LYS 48 -6.532 -51.921 3.351 1.00 5.32 ATOM 786 HG1 LYS 48 -6.362 -51.527 2.354 1.00 37.63 ATOM 787 HG2 LYS 48 -7.301 -52.677 3.312 1.00 13.45 ATOM 788 CD LYS 48 -5.247 -52.558 3.854 1.00 70.01 ATOM 789 HD1 LYS 48 -5.457 -53.075 4.780 1.00 37.63 ATOM 790 HD2 LYS 48 -4.516 -51.794 4.035 1.00 41.20 ATOM 791 CE LYS 48 -4.687 -53.551 2.847 1.00 25.24 ATOM 792 HE1 LYS 48 -3.612 -53.566 2.947 1.00 37.63 ATOM 793 HE2 LYS 48 -4.943 -53.242 1.841 1.00 24.04 ATOM 794 NZ LYS 48 -5.205 -54.928 3.079 1.00 53.34 ATOM 795 HZ1 LYS 48 -4.940 -55.259 4.030 1.00 12.45 ATOM 796 HZ2 LYS 48 -4.804 -55.581 2.376 1.00 1.44 ATOM 797 HZ3 LYS 48 -6.243 -54.944 2.993 1.00 65.33 ATOM 798 C LYS 48 -8.479 -48.802 4.497 1.00 13.42 ATOM 799 O LYS 48 -9.706 -48.906 4.525 1.00 43.02 ATOM 800 N ARG 49 -7.805 -47.976 5.291 1.00 31.42 ATOM 801 HN ARG 49 -6.827 -47.968 5.234 1.00 37.63 ATOM 802 CA ARG 49 -8.483 -47.128 6.264 1.00 51.45 ATOM 803 HA ARG 49 -9.172 -47.742 6.831 1.00 52.04 ATOM 804 CB ARG 49 -7.469 -46.511 7.229 1.00 71.11 ATOM 805 HB1 ARG 49 -7.081 -47.295 7.863 1.00 37.63 ATOM 806 HB2 ARG 49 -7.983 -45.789 7.841 1.00 44.43 ATOM 807 CG ARG 49 -6.299 -45.834 6.533 1.00 34.33 ATOM 808 HG1 ARG 49 -6.685 -45.110 5.848 1.00 37.63 ATOM 809 HG2 ARG 49 -5.743 -46.583 6.016 1.00 4.22 ATOM 810 CD ARG 49 -5.373 -45.157 7.532 1.00 75.33 ATOM 811 HD1 ARG 49 -4.565 -44.699 6.983 1.00 37.63 ATOM 812 HD2 ARG 49 -4.952 -45.902 8.187 1.00 34.32 ATOM 813 NE ARG 49 -6.059 -44.119 8.297 1.00 21.53 ATOM 814 HE ARG 49 -6.076 -43.215 7.924 1.00 33.10 ATOM 815 CZ ARG 49 -6.643 -44.337 9.470 1.00 12.53 ATOM 816 NH1 ARG 49 -6.625 -45.548 10.010 1.00 51.53 ATOM 817 HH11 ARG 49 -6.178 -46.316 9.569 1.00 20.41 ATOM 818 HH12 ARG 49 -7.076 -45.697 10.893 1.00 62.03 ATOM 819 NH2 ARG 49 -7.247 -43.341 10.106 1.00 10.24 ATOM 820 HH21 ARG 49 -7.264 -42.423 9.704 1.00 64.51 ATOM 821 HH22 ARG 49 -7.689 -43.502 10.991 1.00 64.12 ATOM 822 C ARG 49 -9.272 -46.024 5.565 1.00 34.20 ATOM 823 O ARG 49 -10.225 -45.481 6.122 1.00 54.11 ATOM 824 N GLY 50 -8.868 -45.698 4.341 1.00 4.32 ATOM 825 HN GLY 50 -8.089 -46.135 3.936 1.00 37.63 ATOM 826 CA GLY 50 -9.547 -44.661 3.587 1.00 12.42 ATOM 827 HA1 GLY 50 -10.504 -44.424 4.035 1.00 37.63 ATOM 828 HA2 GLY 50 -9.723 -45.030 2.588 1.00 43.31 ATOM 829 C GLY 50 -8.730 -43.388 3.485 1.00 62.10 ATOM 830 O GLY 50 -9.233 -42.295 3.746 1.00 40.33 ATOM 831 N THR 51 -7.463 -43.529 3.106 1.00 54.22 ATOM 832 HN THR 51 -7.112 -44.432 2.915 1.00 37.63 ATOM 833 CA THR 51 -6.574 -42.382 2.973 1.00 64.23 ATOM 834 HA THR 51 -7.105 -41.587 2.463 1.00 13.11 ATOM 835 CB THR 51 -6.139 -41.845 4.350 1.00 73.34 ATOM 836 HB THR 51 -7.017 -41.497 4.876 1.00 5.35 ATOM 837 OG1 THR 51 -5.230 -40.752 4.184 1.00 2.33 ATOM 838 HG1 THR 51 -5.260 -40.186 4.960 1.00 42.44 ATOM 839 CG2 THR 51 -5.479 -42.940 5.174 1.00 73.31 ATOM 840 HG21 THR 51 -5.365 -43.841 4.610 1.00 73.24 ATOM 841 HG22 THR 51 -6.105 -43.128 6.010 1.00 21.13 ATOM 842 HG23 THR 51 -4.511 -42.606 5.522 1.00 74.20 ATOM 843 C THR 51 -5.331 -42.741 2.165 1.00 35.01 ATOM 844 O THR 51 -4.216 -42.787 2.684 1.00 41.30 ATOM 845 N PRO 52 -5.526 -43.002 0.864 1.00 43.43 ATOM 846 CA PRO 52 -4.432 -43.360 -0.044 1.00 4.33 ATOM 847 HA PRO 52 -3.862 -44.193 0.328 1.00 24.33 ATOM 848 CB PRO 52 -5.156 -43.777 -1.326 1.00 13.21 ATOM 849 HB1 PRO 52 -5.311 -44.845 -1.313 1.00 37.63 ATOM 850 HB2 PRO 52 -4.593 -43.510 -2.210 1.00 45.25 ATOM 851 CG PRO 52 -6.459 -43.055 -1.277 1.00 5.21 ATOM 852 HG1 PRO 52 -7.209 -43.610 -1.821 1.00 37.63 ATOM 853 HG2 PRO 52 -6.345 -42.068 -1.693 1.00 44.35 ATOM 854 CD PRO 52 -6.828 -42.966 0.178 1.00 53.11 ATOM 855 HD1 PRO 52 -7.440 -43.809 0.465 1.00 37.63 ATOM 856 HD2 PRO 52 -7.345 -42.039 0.372 1.00 53.40 ATOM 857 C PRO 52 -3.498 -42.186 -0.318 1.00 3.15 ATOM 858 O PRO 52 -3.588 -41.143 0.331 1.00 72.23 ATOM 859 N VAL 53 -2.600 -42.362 -1.282 1.00 53.02 ATOM 860 HN VAL 53 -2.549 -43.222 -1.759 1.00 37.63 ATOM 861 CA VAL 53 -1.650 -41.316 -1.643 1.00 34.31 ATOM 862 HA VAL 53 -1.735 -40.500 -0.935 1.00 13.44 ATOM 863 CB VAL 53 -0.200 -41.833 -1.592 1.00 74.44 ATOM 864 HB VAL 53 -0.074 -42.588 -2.358 1.00 52.52 ATOM 865 CG1 VAL 53 0.779 -40.704 -1.873 1.00 24.32 ATOM 866 HG11 VAL 53 1.792 -41.071 -1.764 1.00 11.02 ATOM 867 HG12 VAL 53 0.622 -39.902 -1.176 1.00 4.35 ATOM 868 HG13 VAL 53 0.652 -40.335 -2.877 1.00 54.01 ATOM 869 CG2 VAL 53 0.088 -42.478 -0.245 1.00 60.42 ATOM 870 HG21 VAL 53 -0.225 -41.829 0.549 1.00 41.23 ATOM 871 HG22 VAL 53 1.147 -42.671 -0.147 1.00 1.11 ATOM 872 HG23 VAL 53 -0.454 -43.408 -0.185 1.00 25.40 ATOM 873 C VAL 53 -1.936 -40.772 -3.038 1.00 41.01 ATOM 874 O VAL 53 -1.272 -41.139 -4.006 1.00 43.13 ATOM 875 N ASN 54 -2.929 -39.894 -3.133 1.00 2.42 ATOM 876 HN ASN 54 -3.400 -39.622 -2.310 1.00 37.63 ATOM 877 CA ASN 54 -3.303 -39.298 -4.410 1.00 41.23 ATOM 878 HA ASN 54 -3.575 -40.093 -5.088 1.00 4.31 ATOM 879 CB ASN 54 -4.502 -38.364 -4.230 1.00 22.42 ATOM 880 HB1 ASN 54 -4.884 -38.087 -5.202 1.00 37.63 ATOM 881 HB2 ASN 54 -4.192 -37.472 -3.701 1.00 41.41 ATOM 882 CG ASN 54 -5.624 -39.011 -3.441 1.00 53.22 ATOM 883 OD1 ASN 54 -6.199 -38.398 -2.541 1.00 45.22 ATOM 884 ND2 ASN 54 -5.942 -40.256 -3.777 1.00 1.15 ATOM 885 HD21 ASN 54 -5.464 -40.707 -4.503 1.00 14.13 ATOM 886 HD22 ASN 54 -6.670 -40.681 -3.280 1.00 54.44 ATOM 887 C ASN 54 -2.132 -38.529 -5.016 1.00 33.14 ATOM 888 O ASN 54 -1.857 -38.637 -6.211 1.00 14.22 ATOM 889 N ARG 55 -1.446 -37.754 -4.182 1.00 52.01 ATOM 890 HN ARG 55 -1.723 -37.685 -3.238 1.00 37.63 ATOM 891 CA ARG 55 -0.306 -36.967 -4.635 1.00 4.22 ATOM 892 HA ARG 55 0.099 -37.414 -5.535 1.00 51.01 ATOM 893 CB ARG 55 -0.741 -35.535 -4.953 1.00 21.15 ATOM 894 HB1 ARG 55 -1.493 -35.571 -5.729 1.00 37.63 ATOM 895 HB2 ARG 55 0.116 -34.991 -5.330 1.00 51.54 ATOM 896 CG ARG 55 -1.330 -34.799 -3.760 1.00 51.15 ATOM 897 HG1 ARG 55 -0.920 -35.179 -2.835 1.00 37.63 ATOM 898 HG2 ARG 55 -2.399 -34.945 -3.760 1.00 52.11 ATOM 899 CD ARG 55 -1.049 -33.306 -3.833 1.00 24.22 ATOM 900 HD1 ARG 55 -1.556 -32.820 -3.012 1.00 37.63 ATOM 901 HD2 ARG 55 -1.430 -32.922 -4.763 1.00 41.54 ATOM 902 NE ARG 55 0.379 -33.014 -3.742 1.00 43.52 ATOM 903 HE ARG 55 0.993 -33.763 -3.556 1.00 22.31 ATOM 904 CZ ARG 55 0.891 -31.797 -3.894 1.00 22.25 ATOM 905 NH1 ARG 55 0.096 -30.766 -4.141 1.00 51.30 ATOM 906 HH11 ARG 55 -0.887 -30.880 -4.208 1.00 62.14 ATOM 907 HH12 ARG 55 0.490 -29.853 -4.263 1.00 72.53 ATOM 908 NH2 ARG 55 2.201 -31.611 -3.797 1.00 4.43 ATOM 909 HH21 ARG 55 2.807 -32.386 -3.609 1.00 1.20 ATOM 910 HH22 ARG 55 2.590 -30.694 -3.911 1.00 34.11 ATOM 911 C ARG 55 0.798 -36.952 -3.581 1.00 33.42 ATOM 912 O ARG 55 0.583 -37.356 -2.438 1.00 35.15 ATOM 913 N ILE 56 1.978 -36.486 -3.974 1.00 10.33 ATOM 914 HN ILE 56 2.097 -36.173 -4.900 1.00 37.63 ATOM 915 CA ILE 56 3.114 -36.418 -3.063 1.00 30.51 ATOM 916 HA ILE 56 2.833 -36.918 -2.148 1.00 31.11 ATOM 917 CB ILE 56 4.338 -37.158 -3.634 1.00 61.11 ATOM 918 HB ILE 56 4.642 -36.658 -4.545 1.00 33.40 ATOM 919 CG1 ILE 56 3.980 -38.611 -3.954 1.00 51.23 ATOM 920 HG11 ILE 56 3.040 -38.649 -4.488 1.00 37.63 ATOM 921 HG12 ILE 56 3.882 -39.174 -3.036 1.00 63.21 ATOM 922 CG2 ILE 56 5.499 -37.097 -2.653 1.00 22.11 ATOM 923 HG21 ILE 56 5.209 -37.549 -1.719 1.00 30.22 ATOM 924 HG22 ILE 56 5.801 -36.076 -2.484 1.00 2.15 ATOM 925 HG23 ILE 56 6.333 -37.643 -3.052 1.00 45.51 ATOM 926 CD1 ILE 56 5.007 -39.310 -4.817 1.00 72.31 ATOM 927 HD11 ILE 56 4.987 -38.881 -5.808 1.00 60.55 ATOM 928 HD12 ILE 56 4.767 -40.359 -4.880 1.00 24.13 ATOM 929 HD13 ILE 56 5.991 -39.189 -4.399 1.00 43.40 ATOM 930 C ILE 56 3.499 -34.972 -2.770 1.00 71.30 ATOM 931 O ILE 56 3.616 -34.140 -3.670 1.00 60.51 ATOM 932 N PRO 57 3.703 -34.664 -1.481 1.00 13.23 ATOM 933 CA PRO 57 4.080 -33.318 -1.039 1.00 23.01 ATOM 934 HA PRO 57 3.383 -32.575 -1.406 1.00 61.53 ATOM 935 CB PRO 57 3.973 -33.402 0.486 1.00 72.02 ATOM 936 HB1 PRO 57 2.995 -33.066 0.797 1.00 37.63 ATOM 937 HB2 PRO 57 4.733 -32.792 0.957 1.00 63.45 ATOM 938 CG PRO 57 4.170 -34.845 0.801 1.00 45.45 ATOM 939 HG1 PRO 57 3.654 -35.095 1.716 1.00 37.63 ATOM 940 HG2 PRO 57 5.224 -35.060 0.893 1.00 22.53 ATOM 941 CD PRO 57 3.581 -35.605 -0.355 1.00 32.21 ATOM 942 HD1 PRO 57 2.549 -35.835 -0.167 1.00 37.63 ATOM 943 HD2 PRO 57 4.136 -36.500 -0.515 1.00 52.42 ATOM 944 C PRO 57 5.501 -32.949 -1.453 1.00 74.02 ATOM 945 O PRO 57 6.468 -33.562 -1.000 1.00 41.34 ATOM 946 N ILE 58 5.618 -31.945 -2.315 1.00 45.22 ATOM 947 HN ILE 58 4.808 -31.482 -2.636 1.00 37.63 ATOM 948 CA ILE 58 6.921 -31.494 -2.789 1.00 3.04 ATOM 949 HA ILE 58 7.606 -32.336 -2.772 1.00 45.24 ATOM 950 CB ILE 58 6.844 -30.969 -4.234 1.00 41.14 ATOM 951 HB ILE 58 6.147 -30.143 -4.261 1.00 52.24 ATOM 952 CG1 ILE 58 6.346 -32.069 -5.174 1.00 22.11 ATOM 953 HG11 ILE 58 6.298 -31.686 -6.181 1.00 37.63 ATOM 954 HG12 ILE 58 5.355 -32.374 -4.868 1.00 64.34 ATOM 955 CG2 ILE 58 8.204 -30.455 -4.685 1.00 34.43 ATOM 956 HG21 ILE 58 8.463 -29.563 -4.135 1.00 11.42 ATOM 957 HG22 ILE 58 8.166 -30.211 -5.736 1.00 63.44 ATOM 958 HG23 ILE 58 8.954 -31.205 -4.523 1.00 53.44 ATOM 959 CD1 ILE 58 7.224 -33.301 -5.180 1.00 70.14 ATOM 960 HD11 ILE 58 6.922 -33.943 -5.995 1.00 23.51 ATOM 961 HD12 ILE 58 7.095 -33.832 -4.252 1.00 43.33 ATOM 962 HD13 ILE 58 8.261 -33.035 -5.306 1.00 53.31 ATOM 963 C ILE 58 7.483 -30.397 -1.891 1.00 21.14 ATOM 964 O ILE 58 6.919 -29.307 -1.798 1.00 30.31 ATOM 965 N MET 59 8.599 -30.693 -1.232 1.00 40.31 ATOM 966 HN MET 59 9.015 -31.579 -1.342 1.00 37.63 ATOM 967 CA MET 59 9.239 -29.730 -0.343 1.00 63.04 ATOM 968 HA MET 59 8.627 -28.834 -0.293 1.00 2.35 ATOM 969 CB MET 59 9.361 -30.309 1.068 1.00 40.44 ATOM 970 HB1 MET 59 10.108 -31.093 1.063 1.00 37.63 ATOM 971 HB2 MET 59 8.413 -30.750 1.347 1.00 4.44 ATOM 972 CG MET 59 9.765 -29.282 2.113 1.00 44.32 ATOM 973 HG1 MET 59 10.404 -28.533 1.678 1.00 37.63 ATOM 974 HG2 MET 59 10.318 -29.794 2.886 1.00 52.34 ATOM 975 SD MET 59 8.347 -28.457 2.861 1.00 44.52 ATOM 976 CE MET 59 8.382 -29.153 4.511 1.00 72.15 ATOM 977 HE1 MET 59 9.397 -29.148 4.881 1.00 61.12 ATOM 978 HE2 MET 59 8.015 -30.168 4.482 1.00 75.24 ATOM 979 HE3 MET 59 7.762 -28.567 5.161 1.00 62.03 ATOM 980 C MET 59 10.618 -29.341 -0.867 1.00 3.34 ATOM 981 O MET 59 11.336 -30.168 -1.428 1.00 75.12 ATOM 982 N ALA 60 10.982 -28.076 -0.679 1.00 24.53 ATOM 983 HN ALA 60 10.369 -27.450 -0.231 1.00 37.63 ATOM 984 CA ALA 60 12.276 -27.579 -1.130 1.00 51.22 ATOM 985 HA ALA 60 12.307 -26.515 -0.943 1.00 61.00 ATOM 986 CB ALA 60 13.399 -28.232 -0.338 1.00 34.20 ATOM 987 HB1 ALA 60 14.339 -27.772 -0.603 1.00 31.30 ATOM 988 HB2 ALA 60 13.441 -29.290 -0.558 1.00 41.51 ATOM 989 HB3 ALA 60 13.213 -28.093 0.715 1.00 20.23 ATOM 990 C ALA 60 12.467 -27.824 -2.623 1.00 45.41 ATOM 991 O ALA 60 13.586 -28.040 -3.089 1.00 45.41 ATOM 992 N LYS 61 11.369 -27.789 -3.369 1.00 73.14 ATOM 993 HN LYS 61 10.498 -27.584 -2.964 1.00 37.63 ATOM 994 CA LYS 61 11.415 -28.007 -4.810 1.00 53.44 ATOM 995 HA LYS 61 10.425 -27.842 -5.203 1.00 51.54 ATOM 996 CB LYS 61 12.386 -27.022 -5.465 1.00 2.33 ATOM 997 HB1 LYS 61 12.206 -27.019 -6.531 1.00 37.63 ATOM 998 HB2 LYS 61 13.405 -27.339 -5.291 1.00 31.11 ATOM 999 CG LYS 61 12.244 -25.598 -4.955 1.00 42.12 ATOM 1000 HG1 LYS 61 13.030 -25.002 -5.389 1.00 37.63 ATOM 1001 HG2 LYS 61 12.350 -25.577 -3.885 1.00 61.10 ATOM 1002 CD LYS 61 10.893 -25.007 -5.322 1.00 3.43 ATOM 1003 HD1 LYS 61 10.660 -24.230 -4.609 1.00 37.63 ATOM 1004 HD2 LYS 61 10.119 -25.757 -5.286 1.00 75.25 ATOM 1005 CE LYS 61 10.914 -24.387 -6.711 1.00 4.04 ATOM 1006 HE1 LYS 61 9.905 -24.111 -6.979 1.00 37.63 ATOM 1007 HE2 LYS 61 11.285 -25.113 -7.421 1.00 63.11 ATOM 1008 NZ LYS 61 11.774 -23.172 -6.763 1.00 22.30 ATOM 1009 HZ1 LYS 61 11.651 -22.694 -7.679 1.00 43.02 ATOM 1010 HZ2 LYS 61 12.774 -23.429 -6.659 1.00 1.23 ATOM 1011 HZ3 LYS 61 11.516 -22.506 -6.004 1.00 22.12 ATOM 1012 C LYS 61 11.832 -29.438 -5.132 1.00 23.04 ATOM 1013 O LYS 61 12.311 -29.722 -6.229 1.00 60.41 ATOM 1014 N GLN 62 11.646 -30.334 -4.168 1.00 22.30 ATOM 1015 HN GLN 62 11.229 -30.074 -3.327 1.00 37.63 ATOM 1016 CA GLN 62 12.003 -31.736 -4.350 1.00 63.20 ATOM 1017 HA GLN 62 12.002 -31.964 -5.410 1.00 61.12 ATOM 1018 CB GLN 62 13.403 -32.004 -3.795 1.00 44.11 ATOM 1019 HB1 GLN 62 14.072 -31.236 -4.158 1.00 37.63 ATOM 1020 HB2 GLN 62 13.735 -32.959 -4.178 1.00 13.04 ATOM 1021 CG GLN 62 13.465 -32.011 -2.276 1.00 73.42 ATOM 1022 HG1 GLN 62 12.488 -32.041 -1.843 1.00 37.63 ATOM 1023 HG2 GLN 62 13.960 -31.109 -1.953 1.00 64.42 ATOM 1024 CD GLN 62 14.245 -33.191 -1.729 1.00 51.44 ATOM 1025 OE1 GLN 62 13.827 -33.834 -0.766 1.00 54.51 ATOM 1026 NE2 GLN 62 15.386 -33.481 -2.343 1.00 21.41 ATOM 1027 HE21 GLN 62 15.685 -32.937 -3.104 1.00 43.42 ATOM 1028 HE22 GLN 62 15.897 -34.246 -2.005 1.00 10.21 ATOM 1029 C GLN 62 10.990 -32.649 -3.668 1.00 31.23 ATOM 1030 O GLN 62 10.322 -32.249 -2.714 1.00 21.42 ATOM 1031 N VAL 63 10.880 -33.878 -4.163 1.00 11.20 ATOM 1032 HN VAL 63 11.424 -34.123 -4.946 1.00 37.63 ATOM 1033 CA VAL 63 9.948 -34.848 -3.601 1.00 23.33 ATOM 1034 HA VAL 63 8.970 -34.406 -3.601 1.00 54.14 ATOM 1035 CB VAL 63 9.898 -36.134 -4.448 1.00 13.33 ATOM 1036 HB VAL 63 9.591 -35.870 -5.450 1.00 34.12 ATOM 1037 CG1 VAL 63 11.274 -36.776 -4.526 1.00 62.14 ATOM 1038 HG11 VAL 63 11.544 -37.206 -3.573 1.00 34.15 ATOM 1039 HG12 VAL 63 12.019 -36.052 -4.816 1.00 32.44 ATOM 1040 HG13 VAL 63 11.248 -37.562 -5.266 1.00 53.21 ATOM 1041 CG2 VAL 63 8.878 -37.107 -3.877 1.00 73.40 ATOM 1042 HG21 VAL 63 8.846 -38.002 -4.478 1.00 24.11 ATOM 1043 HG22 VAL 63 7.909 -36.641 -3.887 1.00 55.25 ATOM 1044 HG23 VAL 63 9.138 -37.376 -2.864 1.00 52.01 ATOM 1045 C VAL 63 10.329 -35.210 -2.170 1.00 23.44 ATOM 1046 O VAL 63 11.472 -35.578 -1.894 1.00 2.45 ATOM 1047 N LEU 64 9.365 -35.105 -1.262 1.00 71.10 ATOM 1048 HN LEU 64 8.464 -34.817 -1.544 1.00 37.63 ATOM 1049 CA LEU 64 9.598 -35.422 0.143 1.00 63.34 ATOM 1050 HA LEU 64 10.547 -34.987 0.426 1.00 51.15 ATOM 1051 CB LEU 64 8.500 -34.809 1.014 1.00 44.15 ATOM 1052 HB1 LEU 64 7.571 -35.323 0.795 1.00 37.63 ATOM 1053 HB2 LEU 64 8.384 -33.772 0.723 1.00 30.14 ATOM 1054 CG LEU 64 8.735 -34.860 2.524 1.00 52.23 ATOM 1055 HG LEU 64 8.924 -35.882 2.819 1.00 53.11 ATOM 1056 CD1 LEU 64 9.951 -34.030 2.903 1.00 1.44 ATOM 1057 HD11 LEU 64 9.805 -33.004 2.592 1.00 51.43 ATOM 1058 HD12 LEU 64 10.828 -34.430 2.421 1.00 45.13 ATOM 1059 HD13 LEU 64 10.092 -34.061 3.975 1.00 61.22 ATOM 1060 CD2 LEU 64 7.501 -34.375 3.271 1.00 23.05 ATOM 1061 HD21 LEU 64 7.702 -34.342 4.331 1.00 10.54 ATOM 1062 HD22 LEU 64 6.679 -35.050 3.084 1.00 0.25 ATOM 1063 HD23 LEU 64 7.235 -33.383 2.929 1.00 44.25 ATOM 1064 C LEU 64 9.651 -36.931 0.359 1.00 61.33 ATOM 1065 O LEU 64 8.622 -37.607 0.342 1.00 21.14 ATOM 1066 N ASP 65 10.856 -37.453 0.563 1.00 53.50 ATOM 1067 HN ASP 65 11.632 -36.847 0.597 1.00 37.63 ATOM 1068 CA ASP 65 11.043 -38.882 0.786 1.00 13.50 ATOM 1069 HA ASP 65 10.676 -39.403 -0.087 1.00 22.21 ATOM 1070 CB ASP 65 12.528 -39.202 0.960 1.00 61.24 ATOM 1071 HB1 ASP 65 12.676 -40.265 0.839 1.00 37.63 ATOM 1072 HB2 ASP 65 12.853 -38.906 1.949 1.00 20.30 ATOM 1073 CG ASP 65 13.398 -38.480 -0.051 1.00 21.54 ATOM 1074 OD1 ASP 65 14.576 -38.212 0.265 1.00 3.22 ATOM 1075 OD2 ASP 65 12.901 -38.185 -1.157 1.00 61.03 ATOM 1076 C ASP 65 10.263 -39.347 2.012 1.00 55.15 ATOM 1077 O ASP 65 10.693 -39.146 3.148 1.00 20.00 ATOM 1078 N LEU 66 9.113 -39.968 1.774 1.00 72.45 ATOM 1079 HN LEU 66 8.821 -40.101 0.841 1.00 37.63 ATOM 1080 CA LEU 66 8.271 -40.462 2.858 1.00 1.10 ATOM 1081 HA LEU 66 8.038 -39.634 3.507 1.00 51.20 ATOM 1082 CB LEU 66 6.978 -41.055 2.297 1.00 73.04 ATOM 1083 HB1 LEU 66 6.480 -41.603 3.090 1.00 37.63 ATOM 1084 HB2 LEU 66 7.246 -41.756 1.518 1.00 63.12 ATOM 1085 CG LEU 66 5.977 -40.055 1.717 1.00 14.23 ATOM 1086 HG LEU 66 6.427 -39.554 0.873 1.00 0.20 ATOM 1087 CD1 LEU 66 4.729 -40.772 1.226 1.00 71.11 ATOM 1088 HD11 LEU 66 4.249 -41.279 2.052 1.00 32.40 ATOM 1089 HD12 LEU 66 5.001 -41.496 0.471 1.00 32.41 ATOM 1090 HD13 LEU 66 4.043 -40.054 0.798 1.00 20.13 ATOM 1091 CD2 LEU 66 5.615 -39.001 2.754 1.00 72.20 ATOM 1092 HD21 LEU 66 5.277 -39.480 3.664 1.00 20.24 ATOM 1093 HD22 LEU 66 4.824 -38.369 2.370 1.00 0.33 ATOM 1094 HD23 LEU 66 6.476 -38.389 2.967 1.00 0.23 ATOM 1095 C LEU 66 9.008 -41.510 3.685 1.00 32.52 ATOM 1096 O LEU 66 8.972 -41.483 4.916 1.00 45.04 ATOM 1097 N PHE 67 9.677 -42.433 3.001 1.00 35.15 ATOM 1098 HN PHE 67 9.659 -42.414 2.014 1.00 37.63 ATOM 1099 CA PHE 67 10.423 -43.491 3.673 1.00 43.51 ATOM 1100 HA PHE 67 9.710 -44.121 4.188 1.00 1.03 ATOM 1101 CB PHE 67 11.191 -44.331 2.650 1.00 54.31 ATOM 1102 HB1 PHE 67 12.022 -43.754 2.259 1.00 37.63 ATOM 1103 HB2 PHE 67 10.525 -44.571 1.830 1.00 13.51 ATOM 1104 CG PHE 67 11.734 -45.613 3.214 1.00 51.55 ATOM 1105 CD1 PHE 67 11.155 -46.828 2.888 1.00 71.42 ATOM 1106 HD1 PHE 67 10.305 -46.853 2.220 1.00 43.33 ATOM 1107 CD2 PHE 67 12.823 -45.601 4.070 1.00 63.54 ATOM 1108 HD2 PHE 67 13.296 -44.667 4.329 1.00 13.51 ATOM 1109 CE1 PHE 67 11.653 -48.010 3.404 1.00 14.15 ATOM 1110 HE1 PHE 67 11.207 -48.951 3.140 1.00 42.43 ATOM 1111 CE2 PHE 67 13.326 -46.780 4.589 1.00 54.31 ATOM 1112 HE2 PHE 67 14.175 -46.758 5.256 1.00 52.34 ATOM 1113 CZ PHE 67 12.739 -47.985 4.257 1.00 72.20 ATOM 1114 HZ PHE 67 13.130 -48.907 4.662 1.00 34.02 ATOM 1115 C PHE 67 11.392 -42.906 4.697 1.00 71.20 ATOM 1116 O PHE 67 11.429 -43.338 5.849 1.00 60.13 ATOM 1117 N MET 68 12.175 -41.922 4.268 1.00 53.24 ATOM 1118 HN MET 68 12.073 -41.602 3.342 1.00 37.63 ATOM 1119 CA MET 68 13.143 -41.277 5.147 1.00 64.41 ATOM 1120 HA MET 68 13.768 -42.041 5.585 1.00 43.23 ATOM 1121 CB MET 68 14.016 -40.304 4.353 1.00 44.22 ATOM 1122 HB1 MET 68 14.786 -39.902 4.991 1.00 37.63 ATOM 1123 HB2 MET 68 13.385 -39.499 4.008 1.00 33.20 ATOM 1124 CG MET 68 14.661 -40.928 3.125 1.00 15.53 ATOM 1125 HG1 MET 68 15.311 -40.196 2.670 1.00 37.63 ATOM 1126 HG2 MET 68 13.892 -41.205 2.423 1.00 23.43 ATOM 1127 SD MET 68 15.636 -42.391 3.521 1.00 23.20 ATOM 1128 CE MET 68 16.607 -41.789 4.901 1.00 55.53 ATOM 1129 HE1 MET 68 17.057 -40.843 4.639 1.00 54.22 ATOM 1130 HE2 MET 68 17.383 -42.503 5.133 1.00 52.31 ATOM 1131 HE3 MET 68 15.969 -41.659 5.763 1.00 23.34 ATOM 1132 C MET 68 12.441 -40.539 6.282 1.00 73.03 ATOM 1133 O MET 68 12.806 -40.682 7.449 1.00 4.02 ATOM 1134 N LEU 69 11.431 -39.750 5.932 1.00 42.40 ATOM 1135 HN LEU 69 11.191 -39.671 4.978 1.00 37.63 ATOM 1136 CA LEU 69 10.677 -38.988 6.922 1.00 60.13 ATOM 1137 HA LEU 69 11.348 -38.262 7.351 1.00 21.13 ATOM 1138 CB LEU 69 9.495 -38.280 6.257 1.00 3.10 ATOM 1139 HB1 LEU 69 8.606 -38.888 6.389 1.00 37.63 ATOM 1140 HB2 LEU 69 9.687 -38.210 5.193 1.00 23.51 ATOM 1141 CG LEU 69 9.186 -36.871 6.764 1.00 14.02 ATOM 1142 HG LEU 69 9.074 -36.899 7.838 1.00 11.34 ATOM 1143 CD1 LEU 69 10.328 -35.922 6.436 1.00 22.41 ATOM 1144 HD11 LEU 69 10.099 -34.935 6.816 1.00 2.54 ATOM 1145 HD12 LEU 69 10.457 -35.870 5.365 1.00 74.43 ATOM 1146 HD13 LEU 69 11.242 -36.271 6.889 1.00 12.23 ATOM 1147 CD2 LEU 69 7.881 -36.364 6.167 1.00 10.01 ATOM 1148 HD21 LEU 69 7.075 -37.024 6.434 1.00 23.11 ATOM 1149 HD22 LEU 69 7.967 -36.334 5.093 1.00 41.15 ATOM 1150 HD23 LEU 69 7.669 -35.371 6.540 1.00 60.13 ATOM 1151 C LEU 69 10.177 -39.895 8.041 1.00 35.50 ATOM 1152 O LEU 69 10.318 -39.577 9.222 1.00 22.40 ATOM 1153 N TYR 70 9.593 -41.027 7.662 1.00 51.11 ATOM 1154 HN TYR 70 9.506 -41.228 6.699 1.00 37.63 ATOM 1155 CA TYR 70 9.071 -41.981 8.633 1.00 2.35 ATOM 1156 HA TYR 70 8.388 -41.463 9.286 1.00 22.41 ATOM 1157 CB TYR 70 8.315 -43.104 7.922 1.00 43.14 ATOM 1158 HB1 TYR 70 8.955 -43.520 7.154 1.00 37.63 ATOM 1159 HB2 TYR 70 7.435 -42.700 7.453 1.00 34.24 ATOM 1160 CG TYR 70 7.891 -44.226 8.842 1.00 62.22 ATOM 1161 CD1 TYR 70 6.660 -44.196 9.485 1.00 54.24 ATOM 1162 HD1 TYR 70 5.999 -43.356 9.321 1.00 11.44 ATOM 1163 CD2 TYR 70 8.722 -45.316 9.069 1.00 31.33 ATOM 1164 HD2 TYR 70 9.685 -45.358 8.579 1.00 1.12 ATOM 1165 CE1 TYR 70 6.268 -45.218 10.327 1.00 70.52 ATOM 1166 HE1 TYR 70 5.306 -45.175 10.817 1.00 73.25 ATOM 1167 CE2 TYR 70 8.338 -46.344 9.909 1.00 71.25 ATOM 1168 HE2 TYR 70 8.998 -47.183 10.071 1.00 14.42 ATOM 1169 CZ TYR 70 7.110 -46.291 10.535 1.00 3.41 ATOM 1170 OH TYR 70 6.725 -47.312 11.373 1.00 52.20 ATOM 1171 HH TYR 70 7.218 -47.262 12.197 1.00 20.02 ATOM 1172 C TYR 70 10.197 -42.567 9.480 1.00 51.10 ATOM 1173 O TYR 70 10.156 -42.517 10.709 1.00 33.34 ATOM 1174 N VAL 71 11.203 -43.122 8.812 1.00 22.10 ATOM 1175 HN VAL 71 11.187 -43.104 7.827 1.00 37.63 ATOM 1176 CA VAL 71 12.342 -43.717 9.501 1.00 43.11 ATOM 1177 HA VAL 71 11.987 -44.577 10.054 1.00 45.35 ATOM 1178 CB VAL 71 13.418 -44.188 8.504 1.00 51.40 ATOM 1179 HB VAL 71 13.745 -43.336 7.924 1.00 24.32 ATOM 1180 CG1 VAL 71 14.622 -44.749 9.244 1.00 65.34 ATOM 1181 HG11 VAL 71 15.295 -45.221 8.539 1.00 5.31 ATOM 1182 HG12 VAL 71 14.300 -45.482 9.971 1.00 53.14 ATOM 1183 HG13 VAL 71 15.150 -43.952 9.747 1.00 21.55 ATOM 1184 CG2 VAL 71 12.841 -45.219 7.546 1.00 22.34 ATOM 1185 HG21 VAL 71 11.816 -45.007 7.304 1.00 61.03 ATOM 1186 HG22 VAL 71 12.895 -46.207 7.986 1.00 3.31 ATOM 1187 HG23 VAL 71 13.428 -45.201 6.652 1.00 3.12 ATOM 1188 C VAL 71 12.969 -42.730 10.480 1.00 60.14 ATOM 1189 O VAL 71 13.360 -43.101 11.587 1.00 3.12 ATOM 1190 N LEU 72 13.061 -41.472 10.064 1.00 2.45 ATOM 1191 HN LEU 72 12.735 -41.233 9.166 1.00 37.63 ATOM 1192 CA LEU 72 13.640 -40.429 10.905 1.00 63.31 ATOM 1193 HA LEU 72 14.569 -40.804 11.302 1.00 63.43 ATOM 1194 CB LEU 72 13.895 -39.166 10.081 1.00 4.32 ATOM 1195 HB1 LEU 72 13.761 -38.313 10.714 1.00 37.63 ATOM 1196 HB2 LEU 72 13.160 -39.105 9.292 1.00 41.33 ATOM 1197 CG LEU 72 15.285 -39.041 9.456 1.00 61.53 ATOM 1198 HG LEU 72 15.349 -38.104 8.923 1.00 61.31 ATOM 1199 CD1 LEU 72 16.358 -39.042 10.534 1.00 72.42 ATOM 1200 HD11 LEU 72 16.139 -38.279 11.269 1.00 25.12 ATOM 1201 HD12 LEU 72 17.316 -38.830 10.082 1.00 11.23 ATOM 1202 HD13 LEU 72 16.402 -40.005 11.018 1.00 22.23 ATOM 1203 CD2 LEU 72 15.525 -40.168 8.461 1.00 10.11 ATOM 1204 HD21 LEU 72 15.315 -41.126 8.911 1.00 11.03 ATOM 1205 HD22 LEU 72 16.559 -40.151 8.138 1.00 14.33 ATOM 1206 HD23 LEU 72 14.898 -40.023 7.603 1.00 22.34 ATOM 1207 C LEU 72 12.725 -40.107 12.081 1.00 15.13 ATOM 1208 O LEU 72 13.129 -40.200 13.240 1.00 30.43 ATOM 1209 N VAL 73 11.487 -39.729 11.775 1.00 4.24 ATOM 1210 HN VAL 73 11.221 -39.684 10.827 1.00 37.63 ATOM 1211 CA VAL 73 10.513 -39.396 12.807 1.00 15.02 ATOM 1212 HA VAL 73 10.847 -38.495 13.306 1.00 54.21 ATOM 1213 CB VAL 73 9.121 -39.133 12.201 1.00 44.51 ATOM 1214 HB VAL 73 8.840 -39.991 11.607 1.00 41.42 ATOM 1215 CG1 VAL 73 8.085 -38.955 13.300 1.00 52.32 ATOM 1216 HG11 VAL 73 8.472 -38.339 14.088 1.00 41.42 ATOM 1217 HG12 VAL 73 7.817 -39.920 13.703 1.00 71.33 ATOM 1218 HG13 VAL 73 7.194 -38.492 12.894 1.00 54.44 ATOM 1219 CG2 VAL 73 9.159 -37.915 11.290 1.00 4.54 ATOM 1220 HG21 VAL 73 8.318 -37.952 10.614 1.00 41.12 ATOM 1221 HG22 VAL 73 10.073 -37.886 10.720 1.00 24.42 ATOM 1222 HG23 VAL 73 9.093 -37.011 11.882 1.00 65.00 ATOM 1223 C VAL 73 10.402 -40.512 13.839 1.00 31.44 ATOM 1224 O VAL 73 10.235 -40.257 15.033 1.00 43.45 ATOM 1225 N THR 74 10.496 -41.754 13.373 1.00 41.21 ATOM 1226 HN THR 74 10.621 -41.905 12.407 1.00 37.63 ATOM 1227 CA THR 74 10.406 -42.911 14.255 1.00 50.42 ATOM 1228 HA THR 74 9.545 -42.783 14.904 1.00 12.21 ATOM 1229 CB THR 74 10.220 -44.214 13.455 1.00 50.31 ATOM 1230 HB THR 74 10.307 -45.060 14.128 1.00 13.43 ATOM 1231 OG1 THR 74 11.229 -44.316 12.444 1.00 74.13 ATOM 1232 HG1 THR 74 11.366 -45.239 12.216 1.00 2.00 ATOM 1233 CG2 THR 74 8.843 -44.262 12.811 1.00 15.50 ATOM 1234 HG21 THR 74 8.778 -45.138 12.207 1.00 54.02 ATOM 1235 HG22 THR 74 8.676 -43.387 12.207 1.00 73.12 ATOM 1236 HG23 THR 74 8.097 -44.308 13.586 1.00 0.04 ATOM 1237 C THR 74 11.650 -43.036 15.126 1.00 5.12 ATOM 1238 O THR 74 11.554 -43.150 16.348 1.00 45.14 ATOM 1239 N GLU 75 12.818 -43.013 14.490 1.00 34.20 ATOM 1240 HN GLU 75 12.829 -42.916 13.507 1.00 37.63 ATOM 1241 CA GLU 75 14.081 -43.125 15.209 1.00 1.53 ATOM 1242 HA GLU 75 14.086 -44.070 15.736 1.00 74.42 ATOM 1243 CB GLU 75 15.255 -43.102 14.229 1.00 44.44 ATOM 1244 HB1 GLU 75 14.936 -43.493 13.278 1.00 37.63 ATOM 1245 HB2 GLU 75 16.033 -43.749 14.613 1.00 25.45 ATOM 1246 CG GLU 75 15.834 -41.715 14.004 1.00 0.32 ATOM 1247 HG1 GLU 75 15.079 -40.960 14.080 1.00 37.63 ATOM 1248 HG2 GLU 75 16.242 -41.689 13.004 1.00 74.25 ATOM 1249 CD GLU 75 16.960 -41.390 14.966 1.00 45.21 ATOM 1250 OE1 GLU 75 16.723 -40.622 15.921 1.00 11.51 ATOM 1251 OE2 GLU 75 18.080 -41.905 14.763 1.00 41.22 ATOM 1252 C GLU 75 14.230 -41.995 16.225 1.00 63.50 ATOM 1253 O GLU 75 15.001 -42.101 17.180 1.00 73.05 ATOM 1254 N LYS 76 13.488 -40.914 16.012 1.00 20.20 ATOM 1255 HN LYS 76 12.930 -40.846 15.209 1.00 37.63 ATOM 1256 CA LYS 76 13.535 -39.765 16.908 1.00 44.55 ATOM 1257 HA LYS 76 14.553 -39.642 17.256 1.00 22.04 ATOM 1258 CB LYS 76 13.094 -38.499 16.169 1.00 3.43 ATOM 1259 HB1 LYS 76 12.871 -37.718 16.888 1.00 37.63 ATOM 1260 HB2 LYS 76 12.198 -38.718 15.606 1.00 35.34 ATOM 1261 CG LYS 76 14.137 -37.963 15.204 1.00 43.12 ATOM 1262 HG1 LYS 76 13.721 -37.106 14.704 1.00 37.63 ATOM 1263 HG2 LYS 76 14.378 -38.723 14.483 1.00 4.20 ATOM 1264 CD LYS 76 15.412 -37.560 15.927 1.00 73.14 ATOM 1265 HD1 LYS 76 16.038 -38.427 16.017 1.00 37.63 ATOM 1266 HD2 LYS 76 15.188 -37.196 16.913 1.00 64.21 ATOM 1267 CE LYS 76 16.175 -36.493 15.157 1.00 2.14 ATOM 1268 HE1 LYS 76 16.743 -35.907 15.863 1.00 37.63 ATOM 1269 HE2 LYS 76 15.486 -35.844 14.634 1.00 64.21 ATOM 1270 NZ LYS 76 17.124 -37.088 14.176 1.00 74.41 ATOM 1271 HZ1 LYS 76 16.602 -37.618 13.447 1.00 61.54 ATOM 1272 HZ2 LYS 76 17.783 -37.737 14.655 1.00 2.53 ATOM 1273 HZ3 LYS 76 17.676 -36.343 13.715 1.00 5.12 ATOM 1274 C LYS 76 12.649 -39.989 18.128 1.00 12.23 ATOM 1275 O LYS 76 12.855 -39.381 19.178 1.00 42.45 ATOM 1276 N GLY 77 11.662 -40.868 17.984 1.00 55.31 ATOM 1277 HN GLY 77 11.529 -41.328 17.134 1.00 37.63 ATOM 1278 CA GLY 77 10.760 -41.157 19.083 1.00 34.43 ATOM 1279 HA1 GLY 77 10.863 -40.415 19.866 1.00 37.63 ATOM 1280 HA2 GLY 77 11.015 -42.123 19.491 1.00 53.13 ATOM 1281 C GLY 77 9.308 -41.189 18.649 1.00 34.30 ATOM 1282 O GLY 77 8.454 -41.727 19.353 1.00 54.23 ATOM 1283 N GLY 78 9.026 -40.610 17.486 1.00 44.32 ATOM 1284 HN GLY 78 9.730 -40.177 16.958 1.00 37.63 ATOM 1285 CA GLY 78 7.666 -40.583 16.980 1.00 65.42 ATOM 1286 HA1 GLY 78 6.972 -40.955 17.724 1.00 37.63 ATOM 1287 HA2 GLY 78 7.615 -41.224 16.115 1.00 55.10 ATOM 1288 C GLY 78 7.226 -39.191 16.573 1.00 61.32 ATOM 1289 O GLY 78 7.863 -38.200 16.933 1.00 31.32 ATOM 1290 N LEU 79 6.135 -39.115 15.819 1.00 43.54 ATOM 1291 HN LEU 79 5.669 -39.947 15.560 1.00 37.63 ATOM 1292 CA LEU 79 5.611 -37.833 15.360 1.00 13.22 ATOM 1293 HA LEU 79 6.330 -37.403 14.682 1.00 22.45 ATOM 1294 CB LEU 79 4.287 -38.036 14.622 1.00 54.03 ATOM 1295 HB1 LEU 79 3.625 -38.589 15.274 1.00 37.63 ATOM 1296 HB2 LEU 79 4.491 -38.641 13.760 1.00 44.44 ATOM 1297 CG LEU 79 3.564 -36.764 14.177 1.00 42.14 ATOM 1298 HG LEU 79 3.241 -36.221 15.048 1.00 15.33 ATOM 1299 CD1 LEU 79 4.500 -35.871 13.376 1.00 14.04 ATOM 1300 HD11 LEU 79 4.999 -36.444 12.613 1.00 44.03 ATOM 1301 HD12 LEU 79 5.239 -35.446 14.039 1.00 63.41 ATOM 1302 HD13 LEU 79 3.940 -35.068 12.914 1.00 32.54 ATOM 1303 CD2 LEU 79 2.327 -37.111 13.361 1.00 43.32 ATOM 1304 HD21 LEU 79 1.872 -36.198 13.000 1.00 41.45 ATOM 1305 HD22 LEU 79 1.620 -37.627 13.993 1.00 42.54 ATOM 1306 HD23 LEU 79 2.569 -37.729 12.542 1.00 51.11 ATOM 1307 C LEU 79 5.411 -36.876 16.531 1.00 3.21 ATOM 1308 O LEU 79 5.902 -35.747 16.514 1.00 15.42 ATOM 1309 N VAL 80 4.690 -37.336 17.549 1.00 40.25 ATOM 1310 HN VAL 80 4.361 -38.261 17.512 1.00 37.63 ATOM 1311 CA VAL 80 4.429 -36.522 18.730 1.00 75.21 ATOM 1312 HA VAL 80 3.848 -35.662 18.421 1.00 41.11 ATOM 1313 CB VAL 80 3.619 -37.304 19.782 1.00 41.23 ATOM 1314 HB VAL 80 4.221 -38.129 20.140 1.00 52.12 ATOM 1315 CG1 VAL 80 3.283 -36.412 20.967 1.00 31.45 ATOM 1316 HG11 VAL 80 2.939 -35.450 20.615 1.00 53.01 ATOM 1317 HG12 VAL 80 4.162 -36.278 21.576 1.00 54.11 ATOM 1318 HG13 VAL 80 2.510 -36.864 21.564 1.00 30.41 ATOM 1319 CG2 VAL 80 2.355 -37.879 19.161 1.00 11.11 ATOM 1320 HG21 VAL 80 1.774 -37.089 18.743 1.00 11.32 ATOM 1321 HG22 VAL 80 1.773 -38.376 19.916 1.00 20.03 ATOM 1322 HG23 VAL 80 2.606 -38.588 18.391 1.00 24.14 ATOM 1323 C VAL 80 5.728 -36.038 19.362 1.00 4.50 ATOM 1324 O VAL 80 5.899 -34.846 19.617 1.00 50.11 ATOM 1325 N GLU 81 6.642 -36.970 19.612 1.00 63.10 ATOM 1326 HN GLU 81 6.445 -37.911 19.386 1.00 37.63 ATOM 1327 CA GLU 81 7.927 -36.637 20.215 1.00 4.11 ATOM 1328 HA GLU 81 7.736 -36.240 21.204 1.00 44.40 ATOM 1329 CB GLU 81 8.798 -37.889 20.339 1.00 72.33 ATOM 1330 HB1 GLU 81 9.139 -38.182 19.353 1.00 37.63 ATOM 1331 HB2 GLU 81 8.192 -38.692 20.739 1.00 51.43 ATOM 1332 CG GLU 81 10.019 -37.697 21.223 1.00 72.15 ATOM 1333 HG1 GLU 81 10.214 -36.645 21.359 1.00 37.63 ATOM 1334 HG2 GLU 81 10.868 -38.154 20.738 1.00 44.31 ATOM 1335 CD GLU 81 9.855 -38.332 22.590 1.00 60.13 ATOM 1336 OE1 GLU 81 9.601 -37.590 23.561 1.00 12.34 ATOM 1337 OE2 GLU 81 9.981 -39.570 22.688 1.00 22.44 ATOM 1338 C GLU 81 8.656 -35.577 19.393 1.00 33.23 ATOM 1339 O GLU 81 9.339 -34.712 19.941 1.00 12.20 ATOM 1340 N VAL 82 8.505 -35.652 18.075 1.00 71.33 ATOM 1341 HN VAL 82 7.956 -36.372 17.686 1.00 37.63 ATOM 1342 CA VAL 82 9.147 -34.700 17.176 1.00 31.23 ATOM 1343 HA VAL 82 10.180 -34.618 17.465 1.00 34.53 ATOM 1344 CB VAL 82 9.084 -35.179 15.714 1.00 50.54 ATOM 1345 HB VAL 82 8.050 -35.327 15.444 1.00 23.13 ATOM 1346 CG1 VAL 82 9.669 -34.128 14.782 1.00 4.14 ATOM 1347 HG11 VAL 82 9.057 -34.084 13.893 1.00 20.24 ATOM 1348 HG12 VAL 82 10.672 -34.404 14.490 1.00 41.30 ATOM 1349 HG13 VAL 82 9.701 -33.151 15.225 1.00 2.12 ATOM 1350 CG2 VAL 82 9.809 -36.506 15.556 1.00 65.30 ATOM 1351 HG21 VAL 82 9.382 -37.239 16.199 1.00 10.24 ATOM 1352 HG22 VAL 82 10.851 -36.381 15.811 1.00 72.02 ATOM 1353 HG23 VAL 82 9.736 -36.836 14.532 1.00 74.54 ATOM 1354 C VAL 82 8.498 -33.325 17.278 1.00 14.31 ATOM 1355 O VAL 82 9.186 -32.305 17.337 1.00 33.22 ATOM 1356 N ILE 83 7.169 -33.304 17.299 1.00 42.34 ATOM 1357 HN ILE 83 6.671 -34.154 17.261 1.00 37.63 ATOM 1358 CA ILE 83 6.427 -32.053 17.395 1.00 32.01 ATOM 1359 HA ILE 83 6.738 -31.411 16.578 1.00 13.01 ATOM 1360 CB ILE 83 4.910 -32.288 17.274 1.00 74.11 ATOM 1361 HB ILE 83 4.606 -32.939 18.084 1.00 5.30 ATOM 1362 CG1 ILE 83 4.580 -32.955 15.937 1.00 51.43 ATOM 1363 HG11 ILE 83 5.337 -33.673 15.680 1.00 37.63 ATOM 1364 HG12 ILE 83 4.550 -32.221 15.166 1.00 22.03 ATOM 1365 CG2 ILE 83 4.157 -30.974 17.417 1.00 51.33 ATOM 1366 HG21 ILE 83 4.761 -30.162 17.049 1.00 11.43 ATOM 1367 HG22 ILE 83 3.942 -30.805 18.462 1.00 31.04 ATOM 1368 HG23 ILE 83 3.224 -31.007 16.868 1.00 35.55 ATOM 1369 CD1 ILE 83 3.258 -33.690 15.938 1.00 52.54 ATOM 1370 HD11 ILE 83 2.473 -33.025 16.263 1.00 5.21 ATOM 1371 HD12 ILE 83 3.315 -34.534 16.608 1.00 61.21 ATOM 1372 HD13 ILE 83 3.042 -34.038 14.939 1.00 3.20 ATOM 1373 C ILE 83 6.716 -31.342 18.713 1.00 62.22 ATOM 1374 O ILE 83 6.747 -30.114 18.773 1.00 11.13 ATOM 1375 N ASN 84 6.930 -32.124 19.766 1.00 34.12 ATOM 1376 HN ASN 84 6.892 -33.104 19.665 1.00 37.63 ATOM 1377 CA ASN 84 7.218 -31.569 21.084 1.00 62.42 ATOM 1378 HA ASN 84 6.642 -30.658 21.210 1.00 1.53 ATOM 1379 CB ASN 84 6.818 -32.562 22.177 1.00 73.31 ATOM 1380 HB1 ASN 84 7.197 -32.220 23.133 1.00 37.63 ATOM 1381 HB2 ASN 84 7.253 -33.525 21.950 1.00 45.41 ATOM 1382 CG ASN 84 5.314 -32.715 22.296 1.00 33.41 ATOM 1383 OD1 ASN 84 4.573 -31.733 22.256 1.00 4.40 ATOM 1384 ND2 ASN 84 4.855 -33.953 22.444 1.00 40.12 ATOM 1385 HD21 ASN 84 5.493 -34.702 22.467 1.00 4.43 ATOM 1386 HD22 ASN 84 3.889 -34.072 22.534 1.00 54.35 ATOM 1387 C ASN 84 8.698 -31.221 21.215 1.00 14.20 ATOM 1388 O ASN 84 9.059 -30.223 21.840 1.00 21.40 ATOM 1389 N LYS 85 9.550 -32.049 20.621 1.00 70.10 ATOM 1390 HN LYS 85 9.208 -32.839 20.140 1.00 37.63 ATOM 1391 CA LYS 85 10.991 -31.829 20.669 1.00 74.03 ATOM 1392 HA LYS 85 11.266 -31.577 21.688 1.00 4.23 ATOM 1393 CB LYS 85 11.735 -33.099 20.251 1.00 3.00 ATOM 1394 HB1 LYS 85 12.743 -32.840 19.944 1.00 37.63 ATOM 1395 HB2 LYS 85 11.228 -33.530 19.405 1.00 12.11 ATOM 1396 CG LYS 85 11.810 -34.148 21.346 1.00 30.55 ATOM 1397 HG1 LYS 85 11.500 -35.091 20.932 1.00 37.63 ATOM 1398 HG2 LYS 85 11.157 -33.886 22.168 1.00 1.33 ATOM 1399 CD LYS 85 13.227 -34.308 21.870 1.00 65.42 ATOM 1400 HD1 LYS 85 13.878 -34.592 21.054 1.00 37.63 ATOM 1401 HD2 LYS 85 13.234 -35.083 22.622 1.00 14.45 ATOM 1402 CE LYS 85 13.742 -33.018 22.490 1.00 73.14 ATOM 1403 HE1 LYS 85 12.967 -32.581 23.108 1.00 37.63 ATOM 1404 HE2 LYS 85 13.998 -32.331 21.699 1.00 0.20 ATOM 1405 NZ LYS 85 14.946 -33.250 23.334 1.00 11.14 ATOM 1406 HZ1 LYS 85 15.272 -32.350 23.741 1.00 52.43 ATOM 1407 HZ2 LYS 85 15.717 -33.655 22.763 1.00 40.53 ATOM 1408 HZ3 LYS 85 14.722 -33.906 24.111 1.00 64.34 ATOM 1409 C LYS 85 11.394 -30.669 19.764 1.00 61.44 ATOM 1410 O LYS 85 12.495 -30.131 19.881 1.00 51.51 ATOM 1411 N LYS 86 10.496 -30.289 18.862 1.00 51.35 ATOM 1412 HN LYS 86 9.647 -30.766 18.767 1.00 37.63 ATOM 1413 CA LYS 86 10.756 -29.191 17.938 1.00 64.02 ATOM 1414 HA LYS 86 9.965 -29.185 17.201 1.00 42.20 ATOM 1415 CB LYS 86 10.767 -27.857 18.688 1.00 20.33 ATOM 1416 HB1 LYS 86 11.310 -27.123 18.104 1.00 37.63 ATOM 1417 HB2 LYS 86 11.281 -27.974 19.631 1.00 2.15 ATOM 1418 CG LYS 86 9.381 -27.282 18.926 1.00 25.45 ATOM 1419 HG1 LYS 86 8.694 -27.663 18.180 1.00 37.63 ATOM 1420 HG2 LYS 86 9.444 -26.207 18.824 1.00 4.24 ATOM 1421 CD LYS 86 8.857 -27.645 20.306 1.00 51.13 ATOM 1422 HD1 LYS 86 9.635 -28.114 20.893 1.00 37.63 ATOM 1423 HD2 LYS 86 8.035 -28.335 20.191 1.00 41.51 ATOM 1424 CE LYS 86 8.355 -26.418 21.051 1.00 12.03 ATOM 1425 HE1 LYS 86 7.478 -26.702 21.613 1.00 37.63 ATOM 1426 HE2 LYS 86 8.085 -25.635 20.353 1.00 44.43 ATOM 1427 NZ LYS 86 9.373 -25.891 22.002 1.00 60.42 ATOM 1428 HZ1 LYS 86 9.615 -26.614 22.711 1.00 61.44 ATOM 1429 HZ2 LYS 86 8.999 -25.055 22.494 1.00 60.34 ATOM 1430 HZ3 LYS 86 10.238 -25.617 21.491 1.00 3.54 ATOM 1431 C LYS 86 12.085 -29.391 17.216 1.00 3.12 ATOM 1432 O LYS 86 12.747 -28.425 16.834 1.00 61.15 ATOM 1433 N LEU 87 12.470 -30.649 17.032 1.00 32.10 ATOM 1434 HN LEU 87 11.883 -31.370 17.306 1.00 37.63 ATOM 1435 CA LEU 87 13.720 -30.976 16.354 1.00 14.22 ATOM 1436 HA LEU 87 14.398 -30.149 16.455 1.00 14.24 ATOM 1437 CB LEU 87 14.362 -32.208 16.993 1.00 70.40 ATOM 1438 HB1 LEU 87 14.180 -32.169 18.060 1.00 37.63 ATOM 1439 HB2 LEU 87 15.429 -32.146 16.830 1.00 12.15 ATOM 1440 CG LEU 87 13.882 -33.563 16.469 1.00 3.44 ATOM 1441 HG LEU 87 14.221 -33.711 15.459 1.00 21.50 ATOM 1442 CD1 LEU 87 14.472 -34.694 17.297 1.00 34.13 ATOM 1443 HD11 LEU 87 14.023 -35.622 16.998 1.00 11.11 ATOM 1444 HD12 LEU 87 14.264 -34.524 18.346 1.00 20.33 ATOM 1445 HD13 LEU 87 15.537 -34.735 17.147 1.00 64.03 ATOM 1446 CD2 LEU 87 12.362 -33.629 16.477 1.00 20.32 ATOM 1447 HD21 LEU 87 11.940 -32.919 15.792 1.00 13.01 ATOM 1448 HD22 LEU 87 11.999 -33.431 17.469 1.00 41.33 ATOM 1449 HD23 LEU 87 12.049 -34.621 16.184 1.00 21.11 ATOM 1450 C LEU 87 13.484 -31.224 14.868 1.00 43.53 ATOM 1451 O LEU 87 14.292 -31.870 14.201 1.00 43.33 ATOM 1452 N TRP 88 12.375 -30.704 14.355 1.00 33.13 ATOM 1453 HN TRP 88 11.758 -30.201 14.916 1.00 37.63 ATOM 1454 CA TRP 88 12.034 -30.867 12.946 1.00 23.35 ATOM 1455 HA TRP 88 11.754 -31.900 12.792 1.00 3.42 ATOM 1456 CB TRP 88 10.863 -29.956 12.575 1.00 61.53 ATOM 1457 HB1 TRP 88 10.923 -29.683 11.527 1.00 37.63 ATOM 1458 HB2 TRP 88 10.916 -29.059 13.172 1.00 32.14 ATOM 1459 CG TRP 88 9.524 -30.592 12.795 1.00 54.32 ATOM 1460 CD1 TRP 88 8.555 -30.182 13.666 1.00 3.23 ATOM 1461 HD1 TRP 88 8.647 -29.333 14.323 1.00 74.40 ATOM 1462 CD2 TRP 88 9.006 -31.751 12.133 1.00 31.22 ATOM 1463 NE1 TRP 88 7.467 -31.017 13.586 1.00 11.35 ATOM 1464 HE1 TRP 88 6.649 -30.933 14.112 1.00 12.10 ATOM 1465 CE2 TRP 88 7.718 -31.987 12.653 1.00 51.14 ATOM 1466 CE3 TRP 88 9.504 -32.612 11.151 1.00 10.24 ATOM 1467 HE3 TRP 88 10.482 -32.463 10.726 1.00 35.12 ATOM 1468 CZ2 TRP 88 6.925 -33.048 12.223 1.00 40.31 ATOM 1469 HZ2 TRP 88 5.941 -33.225 12.630 1.00 53.33 ATOM 1470 CZ3 TRP 88 8.716 -33.664 10.726 1.00 31.32 ATOM 1471 HZ3 TRP 88 9.081 -34.337 9.968 1.00 23.24 ATOM 1472 CH2 TRP 88 7.438 -33.875 11.261 1.00 51.43 ATOM 1473 HH2 TRP 88 6.857 -34.711 10.899 1.00 35.31 ATOM 1474 C TRP 88 13.235 -30.561 12.058 1.00 74.05 ATOM 1475 O TRP 88 13.387 -31.142 10.983 1.00 53.12 ATOM 1476 N ARG 89 14.084 -29.646 12.512 1.00 24.14 ATOM 1477 HN ARG 89 13.874 -29.151 13.335 1.00 37.63 ATOM 1478 CA ARG 89 15.271 -29.263 11.757 1.00 51.31 ATOM 1479 HA ARG 89 14.946 -28.752 10.862 1.00 54.12 ATOM 1480 CB ARG 89 16.142 -28.313 12.581 1.00 13.14 ATOM 1481 HB1 ARG 89 15.581 -27.404 12.752 1.00 37.63 ATOM 1482 HB2 ARG 89 17.036 -28.071 12.021 1.00 42.24 ATOM 1483 CG ARG 89 16.557 -28.882 13.928 1.00 22.12 ATOM 1484 HG1 ARG 89 17.240 -29.701 13.762 1.00 37.63 ATOM 1485 HG2 ARG 89 15.687 -29.238 14.457 1.00 64.45 ATOM 1486 CD ARG 89 17.249 -27.834 14.786 1.00 22.41 ATOM 1487 HD1 ARG 89 16.504 -27.263 15.319 1.00 37.63 ATOM 1488 HD2 ARG 89 17.810 -27.164 14.143 1.00 61.20 ATOM 1489 NE ARG 89 18.185 -28.434 15.734 1.00 34.10 ATOM 1490 HE ARG 89 19.139 -28.411 15.501 1.00 61.35 ATOM 1491 CZ ARG 89 17.812 -28.999 16.877 1.00 75.43 ATOM 1492 NH1 ARG 89 16.529 -29.042 17.211 1.00 23.53 ATOM 1493 HH11 ARG 89 15.826 -28.655 16.623 1.00 21.12 ATOM 1494 HH12 ARG 89 16.257 -29.473 18.074 1.00 50.12 ATOM 1495 NH2 ARG 89 18.722 -29.524 17.687 1.00 0.21 ATOM 1496 HH21 ARG 89 19.693 -29.496 17.440 1.00 35.51 ATOM 1497 HH22 ARG 89 18.443 -29.950 18.550 1.00 44.13 ATOM 1498 C ARG 89 16.080 -30.492 11.355 1.00 62.22 ATOM 1499 O ARG 89 16.591 -30.572 10.238 1.00 23.14 ATOM 1500 N GLU 90 16.192 -31.447 12.273 1.00 71.10 ATOM 1501 HN GLU 90 15.737 -31.343 13.139 1.00 37.63 ATOM 1502 CA GLU 90 16.940 -32.671 12.014 1.00 63.44 ATOM 1503 HA GLU 90 17.933 -32.397 11.681 1.00 43.25 ATOM 1504 CB GLU 90 17.064 -33.501 13.293 1.00 14.14 ATOM 1505 HB1 GLU 90 17.659 -34.377 13.083 1.00 37.63 ATOM 1506 HB2 GLU 90 16.077 -33.815 13.606 1.00 4.12 ATOM 1507 CG GLU 90 17.703 -32.748 14.448 1.00 41.23 ATOM 1508 HG1 GLU 90 17.517 -33.302 15.357 1.00 37.63 ATOM 1509 HG2 GLU 90 17.262 -31.768 14.539 1.00 5.11 ATOM 1510 CD GLU 90 19.203 -32.597 14.286 1.00 23.02 ATOM 1511 OE1 GLU 90 19.677 -31.446 14.182 1.00 73.32 ATOM 1512 OE2 GLU 90 19.904 -33.631 14.264 1.00 12.25 ATOM 1513 C GLU 90 16.269 -33.498 10.921 1.00 32.41 ATOM 1514 O GLU 90 16.934 -34.022 10.027 1.00 23.42 ATOM 1515 N ILE 91 14.947 -33.611 11.001 1.00 63.23 ATOM 1516 HN ILE 91 14.472 -33.141 11.721 1.00 37.63 ATOM 1517 CA ILE 91 14.186 -34.374 10.019 1.00 14.52 ATOM 1518 HA ILE 91 14.546 -35.394 10.034 1.00 54.12 ATOM 1519 CB ILE 91 12.682 -34.376 10.352 1.00 51.12 ATOM 1520 HB ILE 91 12.309 -33.370 10.244 1.00 50.25 ATOM 1521 CG1 ILE 91 12.457 -34.837 11.793 1.00 31.42 ATOM 1522 HG11 ILE 91 11.396 -34.822 12.005 1.00 37.63 ATOM 1523 HG12 ILE 91 12.953 -34.171 12.478 1.00 43.25 ATOM 1524 CG2 ILE 91 11.926 -35.269 9.380 1.00 72.23 ATOM 1525 HG21 ILE 91 12.408 -36.236 9.315 1.00 63.22 ATOM 1526 HG22 ILE 91 11.910 -34.810 8.404 1.00 42.42 ATOM 1527 HG23 ILE 91 10.910 -35.403 9.720 1.00 1.00 ATOM 1528 CD1 ILE 91 12.954 -36.240 12.063 1.00 72.41 ATOM 1529 HD11 ILE 91 12.715 -36.501 13.078 1.00 22.12 ATOM 1530 HD12 ILE 91 14.022 -36.293 11.922 1.00 2.34 ATOM 1531 HD13 ILE 91 12.461 -36.931 11.401 1.00 72.13 ATOM 1532 C ILE 91 14.383 -33.814 8.615 1.00 43.34 ATOM 1533 O ILE 91 14.587 -34.562 7.658 1.00 31.31 ATOM 1534 N THR 92 14.324 -32.491 8.497 1.00 54.22 ATOM 1535 HN THR 92 14.154 -31.939 9.297 1.00 37.63 ATOM 1536 CA THR 92 14.497 -31.829 7.210 1.00 75.54 ATOM 1537 HA THR 92 13.818 -32.293 6.502 1.00 72.50 ATOM 1538 CB THR 92 14.175 -30.326 7.303 1.00 52.03 ATOM 1539 HB THR 92 15.003 -29.747 6.909 1.00 32.03 ATOM 1540 OG1 THR 92 13.971 -29.952 8.670 1.00 72.40 ATOM 1541 HG1 THR 92 14.147 -29.014 8.779 1.00 41.11 ATOM 1542 CG2 THR 92 12.936 -29.986 6.489 1.00 75.34 ATOM 1543 HG21 THR 92 12.188 -30.750 6.616 1.00 13.03 ATOM 1544 HG22 THR 92 13.203 -29.915 5.446 1.00 73.54 ATOM 1545 HG23 THR 92 12.544 -29.037 6.819 1.00 50.23 ATOM 1546 C THR 92 15.919 -32.002 6.690 1.00 41.13 ATOM 1547 O THR 92 16.130 -32.302 5.514 1.00 33.03 ATOM 1548 N LYS 93 16.894 -31.811 7.572 1.00 32.02 ATOM 1549 HN LYS 93 16.666 -31.564 8.500 1.00 37.63 ATOM 1550 CA LYS 93 18.298 -31.947 7.204 1.00 71.34 ATOM 1551 HA LYS 93 18.488 -31.280 6.371 1.00 72.51 ATOM 1552 CB LYS 93 19.196 -31.553 8.379 1.00 74.23 ATOM 1553 HB1 LYS 93 19.320 -32.403 9.039 1.00 37.63 ATOM 1554 HB2 LYS 93 18.713 -30.761 8.940 1.00 3.12 ATOM 1555 CG LYS 93 20.577 -31.082 7.958 1.00 72.03 ATOM 1556 HG1 LYS 93 20.872 -31.586 7.044 1.00 37.63 ATOM 1557 HG2 LYS 93 21.274 -31.331 8.744 1.00 24.42 ATOM 1558 CD LYS 93 20.609 -29.579 7.735 1.00 64.44 ATOM 1559 HD1 LYS 93 20.374 -29.080 8.664 1.00 37.63 ATOM 1560 HD2 LYS 93 19.875 -29.315 6.986 1.00 50.10 ATOM 1561 CE LYS 93 21.978 -29.116 7.260 1.00 3.13 ATOM 1562 HE1 LYS 93 21.914 -28.071 6.995 1.00 37.63 ATOM 1563 HE2 LYS 93 22.266 -29.688 6.388 1.00 34.23 ATOM 1564 NZ LYS 93 23.016 -29.282 8.315 1.00 2.21 ATOM 1565 HZ1 LYS 93 23.919 -28.883 7.987 1.00 43.31 ATOM 1566 HZ2 LYS 93 23.159 -30.289 8.528 1.00 0.04 ATOM 1567 HZ3 LYS 93 22.732 -28.789 9.188 1.00 12.42 ATOM 1568 C LYS 93 18.610 -33.376 6.768 1.00 1.54 ATOM 1569 O LYS 93 19.459 -33.601 5.907 1.00 2.22 ATOM 1570 N GLY 94 17.916 -34.338 7.369 1.00 2.32 ATOM 1571 HN GLY 94 17.260 -34.120 8.066 1.00 37.63 ATOM 1572 CA GLY 94 18.133 -35.732 7.029 1.00 3.31 ATOM 1573 HA1 GLY 94 17.423 -36.337 7.573 1.00 37.63 ATOM 1574 HA2 GLY 94 19.133 -36.016 7.326 1.00 2.31 ATOM 1575 C GLY 94 17.967 -36.000 5.546 1.00 11.55 ATOM 1576 O GLY 94 18.680 -36.824 4.973 1.00 33.30 ATOM 1577 N LEU 95 17.023 -35.303 4.924 1.00 52.05 ATOM 1578 HN LEU 95 16.521 -34.617 5.419 1.00 37.63 ATOM 1579 CA LEU 95 16.763 -35.471 3.498 1.00 43.32 ATOM 1580 HA LEU 95 17.089 -36.459 3.193 1.00 52.02 ATOM 1581 CB LEU 95 15.265 -35.353 3.215 1.00 74.12 ATOM 1582 HB1 LEU 95 15.037 -36.004 2.382 1.00 37.63 ATOM 1583 HB2 LEU 95 15.043 -34.343 2.914 1.00 0.13 ATOM 1584 CG LEU 95 14.333 -35.719 4.370 1.00 14.05 ATOM 1585 HG LEU 95 14.556 -35.106 5.227 1.00 12.13 ATOM 1586 CD1 LEU 95 12.884 -35.450 3.994 1.00 41.42 ATOM 1587 HD11 LEU 95 12.372 -35.051 4.852 1.00 44.02 ATOM 1588 HD12 LEU 95 12.395 -36.363 3.678 1.00 53.24 ATOM 1589 HD13 LEU 95 12.832 -34.733 3.191 1.00 42.50 ATOM 1590 CD2 LEU 95 14.521 -37.176 4.766 1.00 34.33 ATOM 1591 HD21 LEU 95 13.728 -37.490 5.432 1.00 42.01 ATOM 1592 HD22 LEU 95 15.470 -37.295 5.265 1.00 50.42 ATOM 1593 HD23 LEU 95 14.509 -37.783 3.878 1.00 71.10 ATOM 1594 C LEU 95 17.530 -34.436 2.679 1.00 34.35 ATOM 1595 O LEU 95 17.286 -34.271 1.485 1.00 13.12 ATOM 1596 N ASN 96 18.459 -33.744 3.331 1.00 74.11 ATOM 1597 HN ASN 96 18.642 -33.909 4.260 1.00 37.63 ATOM 1598 CA ASN 96 19.262 -32.727 2.663 1.00 3.21 ATOM 1599 HA ASN 96 19.973 -32.353 3.386 1.00 23.04 ATOM 1600 CB ASN 96 20.009 -33.336 1.474 1.00 14.13 ATOM 1601 HB1 ASN 96 19.362 -33.388 0.608 1.00 37.63 ATOM 1602 HB2 ASN 96 20.326 -34.337 1.732 1.00 11.32 ATOM 1603 CG ASN 96 21.245 -32.542 1.100 1.00 40.25 ATOM 1604 OD1 ASN 96 21.351 -32.026 -0.013 1.00 44.02 ATOM 1605 ND2 ASN 96 22.187 -32.441 2.030 1.00 44.43 ATOM 1606 HD21 ASN 96 22.049 -32.875 2.902 1.00 45.44 ATOM 1607 HD22 ASN 96 22.993 -31.930 1.808 1.00 20.23 ATOM 1608 C ASN 96 18.390 -31.568 2.190 1.00 12.15 ATOM 1609 O ASN 96 18.488 -31.130 1.044 1.00 44.45 ATOM 1610 N LEU 97 17.537 -31.075 3.082 1.00 74.54 ATOM 1611 HN LEU 97 17.511 -31.450 3.993 1.00 37.63 ATOM 1612 CA LEU 97 16.646 -29.966 2.757 1.00 63.42 ATOM 1613 HA LEU 97 16.631 -29.849 1.682 1.00 74.34 ATOM 1614 CB LEU 97 15.223 -30.274 3.226 1.00 24.42 ATOM 1615 HB1 LEU 97 14.563 -29.530 2.812 1.00 37.63 ATOM 1616 HB2 LEU 97 15.194 -30.189 4.306 1.00 41.33 ATOM 1617 CG LEU 97 14.679 -31.655 2.858 1.00 63.11 ATOM 1618 HG LEU 97 15.230 -32.401 3.395 1.00 15.53 ATOM 1619 CD1 LEU 97 13.215 -31.774 3.252 1.00 61.35 ATOM 1620 HD11 LEU 97 12.809 -32.702 2.883 1.00 3.14 ATOM 1621 HD12 LEU 97 12.653 -30.950 2.832 1.00 33.15 ATOM 1622 HD13 LEU 97 13.132 -31.754 4.327 1.00 53.12 ATOM 1623 CD2 LEU 97 14.857 -31.919 1.370 1.00 55.33 ATOM 1624 HD21 LEU 97 15.902 -31.888 1.106 1.00 42.32 ATOM 1625 HD22 LEU 97 14.318 -31.178 0.797 1.00 3.14 ATOM 1626 HD23 LEU 97 14.470 -32.896 1.146 1.00 43.12 ATOM 1627 C LEU 97 17.135 -28.670 3.396 1.00 64.54 ATOM 1628 O LEU 97 17.807 -28.673 4.428 1.00 72.14 ATOM 1629 N PRO 98 16.790 -27.535 2.770 1.00 22.13 ATOM 1630 CA PRO 98 17.181 -26.210 3.262 1.00 61.54 ATOM 1631 HA PRO 98 18.252 -26.147 3.405 1.00 24.13 ATOM 1632 CB PRO 98 16.766 -25.274 2.124 1.00 10.34 ATOM 1633 HB1 PRO 98 17.607 -25.120 1.465 1.00 37.63 ATOM 1634 HB2 PRO 98 16.433 -24.319 2.512 1.00 3.33 ATOM 1635 CG PRO 98 15.666 -25.993 1.423 1.00 20.33 ATOM 1636 HG1 PRO 98 15.643 -25.698 0.384 1.00 37.63 ATOM 1637 HG2 PRO 98 14.734 -25.773 1.888 1.00 42.55 ATOM 1638 CD PRO 98 15.991 -27.457 1.536 1.00 61.21 ATOM 1639 HD1 PRO 98 16.564 -27.788 0.683 1.00 37.63 ATOM 1640 HD2 PRO 98 15.093 -28.024 1.632 1.00 33.02 ATOM 1641 C PRO 98 16.460 -25.835 4.552 1.00 41.44 ATOM 1642 O PRO 98 15.239 -25.955 4.651 1.00 55.04 ATOM 1643 N THR 99 17.224 -25.378 5.540 1.00 54.25 ATOM 1644 HN THR 99 18.190 -25.308 5.391 1.00 37.63 ATOM 1645 CA THR 99 16.658 -24.985 6.824 1.00 53.23 ATOM 1646 HA THR 99 15.909 -25.715 7.110 1.00 23.52 ATOM 1647 CB THR 99 17.733 -24.956 7.926 1.00 0.32 ATOM 1648 HB THR 99 18.097 -25.962 8.080 1.00 2.24 ATOM 1649 OG1 THR 99 17.168 -24.471 9.149 1.00 13.32 ATOM 1650 HG1 THR 99 17.087 -23.510 9.145 1.00 51.31 ATOM 1651 CG2 THR 99 18.903 -24.074 7.518 1.00 42.24 ATOM 1652 HG21 THR 99 19.454 -24.542 6.719 1.00 62.11 ATOM 1653 HG22 THR 99 19.558 -23.947 8.367 1.00 12.41 ATOM 1654 HG23 THR 99 18.554 -23.103 7.197 1.00 73.31 ATOM 1655 C THR 99 15.998 -23.614 6.737 1.00 14.52 ATOM 1656 O THR 99 15.265 -23.208 7.640 1.00 65.40 ATOM 1657 N SER 100 16.261 -22.903 5.645 1.00 73.10 ATOM 1658 HN SER 100 16.875 -23.251 4.965 1.00 37.63 ATOM 1659 CA SER 100 15.694 -21.575 5.442 1.00 1.11 ATOM 1660 HA SER 100 15.924 -20.972 6.311 1.00 4.31 ATOM 1661 CB SER 100 16.315 -20.915 4.210 1.00 63.15 ATOM 1662 HB1 SER 100 16.085 -21.500 3.330 1.00 37.63 ATOM 1663 HB2 SER 100 17.387 -20.866 4.336 1.00 11.32 ATOM 1664 OG SER 100 15.820 -19.599 4.031 1.00 32.51 ATOM 1665 HG SER 100 14.981 -19.629 3.564 1.00 74.30 ATOM 1666 C SER 100 14.178 -21.649 5.284 1.00 65.33 ATOM 1667 O SER 100 13.479 -20.645 5.420 1.00 3.21 ATOM 1668 N ILE 101 13.678 -22.846 4.995 1.00 42.11 ATOM 1669 HN ILE 101 14.277 -23.604 4.868 1.00 37.63 ATOM 1670 CA ILE 101 12.246 -23.052 4.819 1.00 61.32 ATOM 1671 HA ILE 101 11.952 -22.541 3.909 1.00 0.34 ATOM 1672 CB ILE 101 11.908 -24.547 4.662 1.00 51.41 ATOM 1673 HB ILE 101 12.235 -25.059 5.552 1.00 14.02 ATOM 1674 CG1 ILE 101 12.643 -25.134 3.456 1.00 62.43 ATOM 1675 HG11 ILE 101 13.657 -24.787 3.428 1.00 37.63 ATOM 1676 HG12 ILE 101 12.150 -24.817 2.547 1.00 70.33 ATOM 1677 CG2 ILE 101 10.405 -24.737 4.518 1.00 64.34 ATOM 1678 HG21 ILE 101 10.029 -24.106 3.724 1.00 1.54 ATOM 1679 HG22 ILE 101 9.910 -24.485 5.443 1.00 63.23 ATOM 1680 HG23 ILE 101 10.188 -25.769 4.282 1.00 14.55 ATOM 1681 CD1 ILE 101 12.678 -26.647 3.447 1.00 14.31 ATOM 1682 HD11 ILE 101 13.299 -26.995 2.640 1.00 44.10 ATOM 1683 HD12 ILE 101 11.677 -27.026 3.310 1.00 71.34 ATOM 1684 HD13 ILE 101 13.071 -27.010 4.385 1.00 30.45 ATOM 1685 C ILE 101 11.460 -22.486 5.996 1.00 1.42 ATOM 1686 O ILE 101 11.656 -22.892 7.142 1.00 24.11 ATOM 1687 N THR 102 10.567 -21.545 5.706 1.00 12.45 ATOM 1688 HN THR 102 10.445 -21.265 4.768 1.00 37.63 ATOM 1689 CA THR 102 9.750 -20.922 6.740 1.00 11.14 ATOM 1690 HA THR 102 10.409 -20.660 7.565 1.00 15.15 ATOM 1691 CB THR 102 9.077 -19.635 6.226 1.00 62.30 ATOM 1692 HB THR 102 8.107 -19.874 5.806 1.00 21.43 ATOM 1693 OG1 THR 102 9.877 -19.042 5.197 1.00 70.22 ATOM 1694 HG1 THR 102 10.758 -18.820 5.527 1.00 64.42 ATOM 1695 CG2 THR 102 8.878 -18.639 7.358 1.00 1.11 ATOM 1696 HG21 THR 102 8.406 -17.748 6.972 1.00 4.21 ATOM 1697 HG22 THR 102 9.836 -18.380 7.786 1.00 14.31 ATOM 1698 HG23 THR 102 8.249 -19.077 8.120 1.00 24.34 ATOM 1699 C THR 102 8.674 -21.879 7.242 1.00 42.34 ATOM 1700 O THR 102 7.988 -22.526 6.451 1.00 51.44 ATOM 1701 N SER 103 8.532 -21.963 8.560 1.00 32.25 ATOM 1702 HN SER 103 9.103 -21.422 9.151 1.00 37.63 ATOM 1703 CA SER 103 7.541 -22.844 9.167 1.00 13.04 ATOM 1704 HA SER 103 7.669 -22.799 10.238 1.00 62.34 ATOM 1705 CB SER 103 6.127 -22.376 8.815 1.00 4.54 ATOM 1706 HB1 SER 103 6.108 -21.298 8.726 1.00 37.63 ATOM 1707 HB2 SER 103 5.447 -22.681 9.597 1.00 51.42 ATOM 1708 OG SER 103 5.692 -22.943 7.592 1.00 32.34 ATOM 1709 HG SER 103 4.831 -22.587 7.362 1.00 34.04 ATOM 1710 C SER 103 7.740 -24.285 8.708 1.00 44.15 ATOM 1711 O SER 103 6.798 -25.076 8.683 1.00 62.24 ATOM 1712 N ALA 104 8.975 -24.618 8.344 1.00 14.31 ATOM 1713 HN ALA 104 9.707 -23.967 8.431 1.00 37.63 ATOM 1714 CA ALA 104 9.300 -25.963 7.887 1.00 72.01 ATOM 1715 HA ALA 104 8.805 -26.123 6.939 1.00 21.24 ATOM 1716 CB ALA 104 10.799 -26.097 7.665 1.00 21.24 ATOM 1717 HB1 ALA 104 10.996 -26.956 7.041 1.00 30.23 ATOM 1718 HB2 ALA 104 11.307 -26.216 8.614 1.00 44.24 ATOM 1719 HB3 ALA 104 11.163 -25.216 7.185 1.00 73.30 ATOM 1720 C ALA 104 8.814 -27.013 8.880 1.00 12.13 ATOM 1721 O ALA 104 8.314 -28.067 8.489 1.00 63.22 ATOM 1722 N ALA 105 8.964 -26.718 10.167 1.00 3.43 ATOM 1723 HN ALA 105 9.383 -25.863 10.424 1.00 37.63 ATOM 1724 CA ALA 105 8.539 -27.636 11.217 1.00 44.15 ATOM 1725 HA ALA 105 9.037 -28.579 11.056 1.00 71.15 ATOM 1726 CB ALA 105 8.955 -27.106 12.581 1.00 34.42 ATOM 1727 HB1 ALA 105 8.791 -26.037 12.611 1.00 65.43 ATOM 1728 HB2 ALA 105 9.999 -27.303 12.741 1.00 3.42 ATOM 1729 HB3 ALA 105 8.376 -27.566 13.362 1.00 53.42 ATOM 1730 C ALA 105 7.032 -27.862 11.171 1.00 41.11 ATOM 1731 O ALA 105 6.555 -28.978 11.379 1.00 50.32 ATOM 1732 N PHE 106 6.287 -26.796 10.898 1.00 34.14 ATOM 1733 HN PHE 106 6.721 -25.924 10.745 1.00 37.63 ATOM 1734 CA PHE 106 4.832 -26.878 10.827 1.00 24.23 ATOM 1735 HA PHE 106 4.486 -27.424 11.699 1.00 33.50 ATOM 1736 CB PHE 106 4.220 -25.476 10.835 1.00 42.11 ATOM 1737 HB1 PHE 106 4.149 -25.097 9.820 1.00 37.63 ATOM 1738 HB2 PHE 106 4.869 -24.814 11.399 1.00 54.35 ATOM 1739 CG PHE 106 2.857 -25.421 11.462 1.00 15.51 ATOM 1740 CD1 PHE 106 1.717 -25.426 10.674 1.00 34.34 ATOM 1741 HD1 PHE 106 1.811 -25.472 9.597 1.00 72.23 ATOM 1742 CD2 PHE 106 2.715 -25.363 12.839 1.00 34.31 ATOM 1743 HD2 PHE 106 3.595 -25.357 13.468 1.00 23.32 ATOM 1744 CE1 PHE 106 0.461 -25.375 11.249 1.00 13.41 ATOM 1745 HE1 PHE 106 -0.420 -25.379 10.624 1.00 30.34 ATOM 1746 CE2 PHE 106 1.461 -25.312 13.419 1.00 2.25 ATOM 1747 HE2 PHE 106 1.364 -25.268 14.494 1.00 20.12 ATOM 1748 CZ PHE 106 0.333 -25.319 12.623 1.00 12.42 ATOM 1749 HZ PHE 106 -0.648 -25.279 13.074 1.00 13.25 ATOM 1750 C PHE 106 4.391 -27.631 9.576 1.00 73.41 ATOM 1751 O PHE 106 3.525 -28.506 9.636 1.00 42.53 ATOM 1752 N THR 107 4.991 -27.286 8.441 1.00 4.24 ATOM 1753 HN THR 107 5.674 -26.573 8.451 1.00 37.63 ATOM 1754 CA THR 107 4.660 -27.927 7.175 1.00 1.41 ATOM 1755 HA THR 107 3.602 -27.787 6.993 1.00 11.23 ATOM 1756 CB THR 107 5.437 -27.294 6.005 1.00 21.21 ATOM 1757 HB THR 107 6.492 -27.401 6.194 1.00 44.20 ATOM 1758 OG1 THR 107 5.128 -25.899 5.909 1.00 22.20 ATOM 1759 HG1 THR 107 5.641 -25.409 6.557 1.00 13.11 ATOM 1760 CG2 THR 107 5.097 -27.986 4.693 1.00 5.53 ATOM 1761 HG21 THR 107 4.033 -28.176 4.632 1.00 5.32 ATOM 1762 HG22 THR 107 5.636 -28.916 4.628 1.00 23.54 ATOM 1763 HG23 THR 107 5.391 -27.349 3.871 1.00 1.23 ATOM 1764 C THR 107 4.959 -29.421 7.220 1.00 1.31 ATOM 1765 O THR 107 4.123 -30.243 6.843 1.00 64.21 ATOM 1766 N LEU 108 6.155 -29.766 7.684 1.00 31.11 ATOM 1767 HN LEU 108 6.786 -29.061 7.966 1.00 37.63 ATOM 1768 CA LEU 108 6.564 -31.163 7.779 1.00 23.15 ATOM 1769 HA LEU 108 6.583 -31.576 6.780 1.00 24.13 ATOM 1770 CB LEU 108 7.966 -31.264 8.384 1.00 61.14 ATOM 1771 HB1 LEU 108 8.169 -32.304 8.587 1.00 37.63 ATOM 1772 HB2 LEU 108 7.946 -30.736 9.328 1.00 23.34 ATOM 1773 CG LEU 108 9.107 -30.714 7.527 1.00 2.03 ATOM 1774 HG LEU 108 8.766 -29.849 6.992 1.00 30.11 ATOM 1775 CD1 LEU 108 10.272 -30.282 8.404 1.00 23.32 ATOM 1776 HD11 LEU 108 10.786 -29.473 7.920 1.00 31.32 ATOM 1777 HD12 LEU 108 10.958 -31.104 8.559 1.00 20.03 ATOM 1778 HD13 LEU 108 9.915 -29.936 9.366 1.00 22.52 ATOM 1779 CD2 LEU 108 9.559 -31.752 6.510 1.00 52.30 ATOM 1780 HD21 LEU 108 10.300 -31.320 5.856 1.00 61.43 ATOM 1781 HD22 LEU 108 8.712 -32.074 5.918 1.00 21.22 ATOM 1782 HD23 LEU 108 9.983 -32.605 7.021 1.00 61.23 ATOM 1783 C LEU 108 5.576 -31.964 8.622 1.00 43.24 ATOM 1784 O LEU 108 5.230 -33.095 8.282 1.00 60.23 ATOM 1785 N ARG 109 5.125 -31.368 9.721 1.00 73.25 ATOM 1786 HN ARG 109 5.448 -30.465 9.952 1.00 37.63 ATOM 1787 CA ARG 109 4.176 -32.026 10.611 1.00 54.43 ATOM 1788 HA ARG 109 4.628 -32.928 10.981 1.00 72.14 ATOM 1789 CB ARG 109 3.830 -31.111 11.788 1.00 60.25 ATOM 1790 HB1 ARG 109 3.267 -30.261 11.422 1.00 37.63 ATOM 1791 HB2 ARG 109 4.754 -30.757 12.217 1.00 41.30 ATOM 1792 CG ARG 109 3.023 -31.799 12.877 1.00 44.12 ATOM 1793 HG1 ARG 109 3.621 -32.582 13.314 1.00 37.63 ATOM 1794 HG2 ARG 109 2.131 -32.227 12.443 1.00 21.11 ATOM 1795 CD ARG 109 2.607 -30.820 13.964 1.00 70.34 ATOM 1796 HD1 ARG 109 2.210 -31.379 14.797 1.00 37.63 ATOM 1797 HD2 ARG 109 1.837 -30.182 13.556 1.00 52.31 ATOM 1798 NE ARG 109 3.728 -30.008 14.427 1.00 3.53 ATOM 1799 HE ARG 109 4.637 -30.330 14.255 1.00 71.30 ATOM 1800 CZ ARG 109 3.584 -28.861 15.083 1.00 74.24 ATOM 1801 NH1 ARG 109 2.372 -28.395 15.350 1.00 34.35 ATOM 1802 HH11 ARG 109 1.560 -28.887 15.067 1.00 2.02 ATOM 1803 HH12 ARG 109 2.270 -27.531 15.847 1.00 24.42 ATOM 1804 NH2 ARG 109 4.653 -28.179 15.472 1.00 52.40 ATOM 1805 HH21 ARG 109 5.572 -28.526 15.273 1.00 2.11 ATOM 1806 HH22 ARG 109 4.547 -27.314 15.967 1.00 70.11 ATOM 1807 C ARG 109 2.903 -32.410 9.861 1.00 65.01 ATOM 1808 O ARG 109 2.485 -33.568 9.878 1.00 31.11 ATOM 1809 N THR 110 2.291 -31.430 9.203 1.00 65.33 ATOM 1810 HN THR 110 2.676 -30.521 9.222 1.00 37.63 ATOM 1811 CA THR 110 1.067 -31.665 8.448 1.00 12.13 ATOM 1812 HA THR 110 0.339 -32.113 9.113 1.00 13.15 ATOM 1813 CB THR 110 0.477 -30.347 7.911 1.00 34.33 ATOM 1814 HB THR 110 1.212 -29.868 7.279 1.00 1.13 ATOM 1815 OG1 THR 110 0.161 -29.472 9.000 1.00 72.40 ATOM 1816 HG1 THR 110 -0.481 -29.879 9.597 1.00 43.23 ATOM 1817 CG2 THR 110 -0.774 -30.611 7.087 1.00 72.03 ATOM 1818 HG21 THR 110 -1.306 -29.682 6.946 1.00 0.10 ATOM 1819 HG22 THR 110 -1.418 -31.314 7.600 1.00 23.04 ATOM 1820 HG23 THR 110 -0.499 -31.010 6.122 1.00 12.23 ATOM 1821 C THR 110 1.314 -32.611 7.279 1.00 31.53 ATOM 1822 O THR 110 0.620 -33.616 7.126 1.00 24.52 ATOM 1823 N GLN 111 2.306 -32.284 6.458 1.00 3.21 ATOM 1824 HN GLN 111 2.835 -31.477 6.651 1.00 37.63 ATOM 1825 CA GLN 111 2.644 -33.106 5.303 1.00 61.35 ATOM 1826 HA GLN 111 1.812 -33.089 4.625 1.00 51.24 ATOM 1827 CB GLN 111 3.878 -32.545 4.594 1.00 23.40 ATOM 1828 HB1 GLN 111 4.123 -33.177 3.748 1.00 37.63 ATOM 1829 HB2 GLN 111 4.709 -32.557 5.287 1.00 3.12 ATOM 1830 CG GLN 111 3.702 -31.117 4.105 1.00 43.12 ATOM 1831 HG1 GLN 111 4.676 -30.665 4.031 1.00 37.63 ATOM 1832 HG2 GLN 111 3.098 -30.553 4.794 1.00 61.52 ATOM 1833 CD GLN 111 3.044 -31.044 2.741 1.00 0.12 ATOM 1834 OE1 GLN 111 3.702 -30.779 1.735 1.00 62.53 ATOM 1835 NE2 GLN 111 1.738 -31.279 2.701 1.00 53.21 ATOM 1836 HE21 GLN 111 1.260 -31.476 3.533 1.00 2.00 ATOM 1837 HE22 GLN 111 1.297 -31.246 1.827 1.00 75.40 ATOM 1838 C GLN 111 2.895 -34.552 5.718 1.00 31.20 ATOM 1839 O GLN 111 2.605 -35.484 4.967 1.00 43.43 ATOM 1840 N TYR 112 3.435 -34.732 6.918 1.00 20.21 ATOM 1841 HN TYR 112 3.667 -33.953 7.474 1.00 37.63 ATOM 1842 CA TYR 112 3.728 -36.065 7.432 1.00 14.14 ATOM 1843 HA TYR 112 4.135 -36.663 6.626 1.00 52.42 ATOM 1844 CB TYR 112 4.767 -35.986 8.551 1.00 4.45 ATOM 1845 HB1 TYR 112 4.460 -35.227 9.259 1.00 37.63 ATOM 1846 HB2 TYR 112 5.719 -35.699 8.125 1.00 61.34 ATOM 1847 CG TYR 112 4.950 -37.286 9.301 1.00 4.21 ATOM 1848 CD1 TYR 112 4.155 -37.596 10.397 1.00 32.33 ATOM 1849 HD1 TYR 112 3.397 -36.895 10.714 1.00 62.11 ATOM 1850 CD2 TYR 112 5.919 -38.203 8.914 1.00 23.33 ATOM 1851 HD2 TYR 112 6.548 -37.983 8.073 1.00 5.31 ATOM 1852 CE1 TYR 112 4.319 -38.783 11.086 1.00 52.32 ATOM 1853 HE1 TYR 112 3.693 -39.020 11.922 1.00 34.54 ATOM 1854 CE2 TYR 112 6.089 -39.393 9.596 1.00 44.31 ATOM 1855 HE2 TYR 112 6.844 -40.088 9.282 1.00 12.45 ATOM 1856 CZ TYR 112 5.287 -39.678 10.681 1.00 10.20 ATOM 1857 OH TYR 112 5.454 -40.861 11.364 1.00 42.14 ATOM 1858 HH TYR 112 6.260 -40.825 11.888 1.00 51.10 ATOM 1859 C TYR 112 2.460 -36.740 7.947 1.00 23.44 ATOM 1860 O TYR 112 2.106 -37.835 7.511 1.00 23.44 ATOM 1861 N MET 113 1.781 -36.078 8.878 1.00 10.01 ATOM 1862 HN MET 113 2.117 -35.204 9.186 1.00 37.63 ATOM 1863 CA MET 113 0.552 -36.613 9.452 1.00 14.40 ATOM 1864 HA MET 113 0.791 -37.545 9.933 1.00 61.13 ATOM 1865 CB MET 113 -0.013 -35.645 10.494 1.00 23.34 ATOM 1866 HB1 MET 113 -0.685 -34.946 10.008 1.00 37.63 ATOM 1867 HB2 MET 113 0.805 -35.087 10.933 1.00 25.41 ATOM 1868 CG MET 113 -0.753 -36.337 11.627 1.00 32.14 ATOM 1869 HG1 MET 113 -0.046 -36.714 12.333 1.00 37.63 ATOM 1870 HG2 MET 113 -1.325 -37.162 11.224 1.00 61.40 ATOM 1871 SD MET 113 -1.895 -35.236 12.485 1.00 31.30 ATOM 1872 CE MET 113 -0.822 -33.848 12.843 1.00 1.23 ATOM 1873 HE1 MET 113 -0.478 -33.405 11.921 1.00 31.14 ATOM 1874 HE2 MET 113 0.026 -34.186 13.419 1.00 62.10 ATOM 1875 HE3 MET 113 -1.371 -33.111 13.407 1.00 61.23 ATOM 1876 C MET 113 -0.488 -36.871 8.366 1.00 61.20 ATOM 1877 O MET 113 -1.423 -37.648 8.560 1.00 54.23 ATOM 1878 N LYS 114 -0.318 -36.216 7.223 1.00 53.52 ATOM 1879 HN LYS 114 0.395 -35.549 7.140 1.00 37.63 ATOM 1880 CA LYS 114 -1.241 -36.375 6.105 1.00 43.31 ATOM 1881 HA LYS 114 -2.234 -36.111 6.450 1.00 70.02 ATOM 1882 CB LYS 114 -0.839 -35.454 4.951 1.00 50.35 ATOM 1883 HB1 LYS 114 -1.014 -35.965 4.012 1.00 37.63 ATOM 1884 HB2 LYS 114 0.213 -35.227 5.025 1.00 61.34 ATOM 1885 CG LYS 114 -1.606 -34.143 4.923 1.00 4.23 ATOM 1886 HG1 LYS 114 -1.413 -33.604 5.836 1.00 37.63 ATOM 1887 HG2 LYS 114 -2.664 -34.356 4.852 1.00 23.15 ATOM 1888 CD LYS 114 -1.192 -33.279 3.743 1.00 32.42 ATOM 1889 HD1 LYS 114 -0.123 -33.142 3.759 1.00 37.63 ATOM 1890 HD2 LYS 114 -1.678 -32.318 3.833 1.00 34.22 ATOM 1891 CE LYS 114 -1.589 -33.917 2.420 1.00 3.23 ATOM 1892 HE1 LYS 114 -2.440 -34.572 2.566 1.00 37.63 ATOM 1893 HE2 LYS 114 -0.757 -34.489 2.054 1.00 13.21 ATOM 1894 NZ LYS 114 -1.948 -32.895 1.398 1.00 21.21 ATOM 1895 HZ1 LYS 114 -1.139 -32.265 1.215 1.00 32.21 ATOM 1896 HZ2 LYS 114 -2.753 -32.322 1.726 1.00 13.21 ATOM 1897 HZ3 LYS 114 -2.214 -33.363 0.508 1.00 32.42 ATOM 1898 C LYS 114 -1.271 -37.823 5.627 1.00 55.22 ATOM 1899 O LYS 114 -2.340 -38.422 5.498 1.00 4.42 ATOM 1900 N TYR 115 -0.094 -38.380 5.366 1.00 32.04 ATOM 1901 HN TYR 115 0.733 -37.858 5.496 1.00 37.63 ATOM 1902 CA TYR 115 0.013 -39.758 4.902 1.00 42.13 ATOM 1903 HA TYR 115 -0.967 -40.115 4.608 1.00 13.50 ATOM 1904 CB TYR 115 0.935 -39.837 3.683 1.00 34.04 ATOM 1905 HB1 TYR 115 0.893 -40.823 3.259 1.00 37.63 ATOM 1906 HB2 TYR 115 1.955 -39.646 4.001 1.00 60.23 ATOM 1907 CG TYR 115 0.597 -38.835 2.602 1.00 35.34 ATOM 1908 CD1 TYR 115 -0.239 -39.178 1.547 1.00 62.15 ATOM 1909 HD1 TYR 115 -0.654 -40.163 1.503 1.00 71.23 ATOM 1910 CD2 TYR 115 1.112 -37.545 2.638 1.00 71.32 ATOM 1911 HD2 TYR 115 1.763 -37.259 3.451 1.00 64.13 ATOM 1912 CE1 TYR 115 -0.550 -38.266 0.557 1.00 64.25 ATOM 1913 HE1 TYR 115 -1.202 -38.548 -0.254 1.00 15.14 ATOM 1914 CE2 TYR 115 0.805 -36.626 1.653 1.00 63.41 ATOM 1915 HE2 TYR 115 1.217 -35.628 1.698 1.00 33.34 ATOM 1916 CZ TYR 115 -0.025 -36.992 0.614 1.00 14.32 ATOM 1917 OH TYR 115 -0.334 -36.080 -0.369 1.00 62.04 ATOM 1918 HH TYR 115 -1.242 -35.780 -0.263 1.00 62.12 ATOM 1919 C TYR 115 0.537 -40.667 6.009 1.00 31.13 ATOM 1920 O TYR 115 -0.071 -41.690 6.329 1.00 43.12 ATOM 1921 N LEU 116 1.668 -40.287 6.592 1.00 3.33 ATOM 1922 HN LEU 116 2.103 -39.449 6.303 1.00 37.63 ATOM 1923 CA LEU 116 2.276 -41.066 7.666 1.00 74.04 ATOM 1924 HA LEU 116 2.100 -42.118 7.464 1.00 13.25 ATOM 1925 CB LEU 116 3.787 -40.835 7.698 1.00 4.51 ATOM 1926 HB1 LEU 116 4.226 -41.526 8.406 1.00 37.63 ATOM 1927 HB2 LEU 116 3.947 -39.829 8.056 1.00 72.33 ATOM 1928 CG LEU 116 4.517 -40.974 6.361 1.00 14.44 ATOM 1929 HG LEU 116 4.060 -40.317 5.636 1.00 71.10 ATOM 1930 CD1 LEU 116 5.975 -40.566 6.504 1.00 53.42 ATOM 1931 HD11 LEU 116 6.036 -39.494 6.567 1.00 40.33 ATOM 1932 HD12 LEU 116 6.540 -40.898 5.642 1.00 52.21 ATOM 1933 HD13 LEU 116 6.396 -41.001 7.393 1.00 1.21 ATOM 1934 CD2 LEU 116 4.408 -42.399 5.841 1.00 63.44 ATOM 1935 HD21 LEU 116 4.930 -42.483 4.897 1.00 55.22 ATOM 1936 HD22 LEU 116 3.368 -42.650 5.693 1.00 24.35 ATOM 1937 HD23 LEU 116 4.846 -43.084 6.555 1.00 34.20 ATOM 1938 C LEU 116 1.665 -40.703 9.015 1.00 11.42 ATOM 1939 O LEU 116 1.691 -39.543 9.428 1.00 55.35 ATOM 1940 N TYR 117 1.118 -41.701 9.699 1.00 22.43 ATOM 1941 HN TYR 117 1.193 -42.620 9.348 1.00 37.63 ATOM 1942 CA TYR 117 0.501 -41.487 11.003 1.00 73.13 ATOM 1943 HA TYR 117 1.269 -41.156 11.687 1.00 43.24 ATOM 1944 CB TYR 117 -0.579 -40.408 10.908 1.00 42.43 ATOM 1945 HB1 TYR 117 -1.017 -40.387 9.924 1.00 37.63 ATOM 1946 HB2 TYR 117 -0.106 -39.452 11.086 1.00 41.32 ATOM 1947 CG TYR 117 -1.669 -40.549 11.945 1.00 14.13 ATOM 1948 CD1 TYR 117 -3.006 -40.622 11.571 1.00 23.13 ATOM 1949 HD1 TYR 117 -3.269 -40.571 10.525 1.00 35.43 ATOM 1950 CD2 TYR 117 -1.364 -40.608 13.299 1.00 31.34 ATOM 1951 HD2 TYR 117 -0.330 -40.552 13.611 1.00 63.34 ATOM 1952 CE1 TYR 117 -4.006 -40.751 12.516 1.00 42.43 ATOM 1953 HE1 TYR 117 -5.039 -40.806 12.205 1.00 61.13 ATOM 1954 CE2 TYR 117 -2.357 -40.738 14.251 1.00 74.25 ATOM 1955 HE2 TYR 117 -2.098 -40.783 15.299 1.00 21.25 ATOM 1956 CZ TYR 117 -3.677 -40.809 13.854 1.00 44.31 ATOM 1957 OH TYR 117 -4.669 -40.937 14.798 1.00 11.34 ATOM 1958 HH TYR 117 -5.023 -41.832 14.781 1.00 41.33 ATOM 1959 C TYR 117 -0.104 -42.781 11.538 1.00 31.24 ATOM 1960 O TYR 117 0.243 -43.259 12.619 1.00 42.52 ATOM 1961 N PRO 118 -1.032 -43.364 10.764 1.00 24.25 ATOM 1962 CA PRO 118 -1.705 -44.612 11.139 1.00 45.43 ATOM 1963 HA PRO 118 -2.150 -44.544 12.122 1.00 73.33 ATOM 1964 CB PRO 118 -2.807 -44.750 10.085 1.00 4.14 ATOM 1965 HB1 PRO 118 -3.719 -44.314 10.464 1.00 37.63 ATOM 1966 HB2 PRO 118 -2.981 -45.792 9.842 1.00 43.43 ATOM 1967 CG PRO 118 -2.302 -43.990 8.907 1.00 32.43 ATOM 1968 HG1 PRO 118 -3.133 -43.613 8.330 1.00 37.63 ATOM 1969 HG2 PRO 118 -1.680 -44.628 8.297 1.00 73.30 ATOM 1970 CD PRO 118 -1.494 -42.851 9.464 1.00 14.12 ATOM 1971 HD1 PRO 118 -2.130 -42.006 9.570 1.00 37.63 ATOM 1972 HD2 PRO 118 -0.690 -42.636 8.794 1.00 34.44 ATOM 1973 C PRO 118 -0.767 -45.813 11.090 1.00 71.33 ATOM 1974 O PRO 118 -0.961 -46.794 11.809 1.00 4.52 ATOM 1975 N TYR 119 0.249 -45.731 10.238 1.00 54.14 ATOM 1976 HN TYR 119 0.356 -44.927 9.679 1.00 37.63 ATOM 1977 CA TYR 119 1.215 -46.813 10.094 1.00 42.13 ATOM 1978 HA TYR 119 0.671 -47.742 9.983 1.00 15.55 ATOM 1979 CB TYR 119 2.080 -46.591 8.851 1.00 14.14 ATOM 1980 HB1 TYR 119 2.768 -45.772 9.030 1.00 37.63 ATOM 1981 HB2 TYR 119 1.434 -46.325 8.024 1.00 13.24 ATOM 1982 CG TYR 119 2.871 -47.811 8.438 1.00 21.25 ATOM 1983 CD1 TYR 119 4.256 -47.835 8.547 1.00 31.11 ATOM 1984 HD1 TYR 119 4.769 -46.969 8.929 1.00 52.41 ATOM 1985 CD2 TYR 119 2.234 -48.941 7.940 1.00 15.04 ATOM 1986 HD2 TYR 119 1.165 -48.947 7.853 1.00 32.34 ATOM 1987 CE1 TYR 119 4.983 -48.948 8.170 1.00 11.42 ATOM 1988 HE1 TYR 119 6.052 -48.954 8.272 1.00 41.33 ATOM 1989 CE2 TYR 119 2.952 -50.059 7.562 1.00 3.45 ATOM 1990 HE2 TYR 119 2.437 -50.927 7.177 1.00 20.43 ATOM 1991 CZ TYR 119 4.327 -50.057 7.679 1.00 53.22 ATOM 1992 OH TYR 119 5.047 -51.168 7.304 1.00 42.44 ATOM 1993 HH TYR 119 5.371 -51.627 8.085 1.00 24.21 ATOM 1994 C TYR 119 2.101 -46.920 11.331 1.00 23.10 ATOM 1995 O TYR 119 2.418 -48.018 11.787 1.00 30.11 ATOM 1996 N GLU 120 2.497 -45.771 11.869 1.00 51.51 ATOM 1997 HN GLU 120 2.218 -44.918 11.458 1.00 37.63 ATOM 1998 CA GLU 120 3.347 -45.735 13.053 1.00 15.45 ATOM 1999 HA GLU 120 4.169 -46.425 12.895 1.00 34.32 ATOM 2000 CB GLU 120 3.907 -44.327 13.264 1.00 41.53 ATOM 2001 HB1 GLU 120 3.177 -43.725 13.795 1.00 37.63 ATOM 2002 HB2 GLU 120 4.085 -43.877 12.295 1.00 3.00 ATOM 2003 CG GLU 120 5.220 -44.302 14.029 1.00 53.13 ATOM 2004 HG1 GLU 120 6.025 -44.427 13.324 1.00 37.63 ATOM 2005 HG2 GLU 120 5.238 -45.115 14.744 1.00 21.53 ATOM 2006 CD GLU 120 5.431 -43.004 14.783 1.00 42.51 ATOM 2007 OE1 GLU 120 4.790 -42.820 15.839 1.00 75.24 ATOM 2008 OE2 GLU 120 6.237 -42.171 14.318 1.00 63.11 ATOM 2009 C GLU 120 2.572 -46.176 14.292 1.00 1.21 ATOM 2010 O GLU 120 3.123 -46.823 15.184 1.00 73.04 ATOM 2011 N CYS 121 1.293 -45.821 14.340 1.00 1.53 ATOM 2012 HN CYS 121 0.902 -45.299 13.601 1.00 37.63 ATOM 2013 CA CYS 121 0.442 -46.178 15.470 1.00 62.01 ATOM 2014 HA CYS 121 1.021 -46.071 16.381 1.00 74.31 ATOM 2015 CB CYS 121 -0.764 -45.241 15.543 1.00 1.43 ATOM 2016 HB1 CYS 121 -1.397 -45.399 14.680 1.00 37.63 ATOM 2017 HB2 CYS 121 -0.413 -44.220 15.540 1.00 43.13 ATOM 2018 SG CYS 121 -1.781 -45.461 17.022 1.00 1.30 ATOM 2019 HG CYS 121 -2.605 -46.475 16.804 1.00 21.11 ATOM 2020 C CYS 121 -0.028 -47.625 15.360 1.00 55.44 ATOM 2021 O CYS 121 -0.278 -48.284 16.368 1.00 74.12 ATOM 2022 N GLU 122 -0.148 -48.110 14.128 1.00 74.21 ATOM 2023 HN GLU 122 0.060 -47.540 13.352 1.00 37.63 ATOM 2024 CA GLU 122 -0.592 -49.478 13.887 1.00 61.23 ATOM 2025 HA GLU 122 -1.350 -49.709 14.621 1.00 1.14 ATOM 2026 CB GLU 122 -1.189 -49.604 12.484 1.00 71.54 ATOM 2027 HB1 GLU 122 -0.419 -49.428 11.746 1.00 37.63 ATOM 2028 HB2 GLU 122 -1.961 -48.859 12.374 1.00 45.25 ATOM 2029 CG GLU 122 -1.819 -50.960 12.210 1.00 42.12 ATOM 2030 HG1 GLU 122 -1.037 -51.669 11.980 1.00 37.63 ATOM 2031 HG2 GLU 122 -2.480 -50.868 11.369 1.00 42.15 ATOM 2032 CD GLU 122 -2.621 -51.479 13.387 1.00 0.03 ATOM 2033 OE1 GLU 122 -3.493 -50.736 13.884 1.00 52.40 ATOM 2034 OE2 GLU 122 -2.377 -52.627 13.812 1.00 21.41 ATOM 2035 C GLU 122 0.564 -50.462 14.050 1.00 55.50 ATOM 2036 O GLU 122 0.440 -51.473 14.741 1.00 25.11 ATOM 2037 N LYS 123 1.687 -50.157 13.408 1.00 34.43 ATOM 2038 HN LYS 123 1.730 -49.329 12.874 1.00 37.63 ATOM 2039 CA LYS 123 2.866 -51.012 13.481 1.00 34.13 ATOM 2040 HA LYS 123 2.541 -52.043 13.484 1.00 42.34 ATOM 2041 CB LYS 123 3.771 -50.772 12.271 1.00 12.20 ATOM 2042 HB1 LYS 123 4.732 -51.247 12.442 1.00 37.63 ATOM 2043 HB2 LYS 123 3.932 -49.715 12.158 1.00 43.15 ATOM 2044 CG LYS 123 3.204 -51.313 10.970 1.00 34.12 ATOM 2045 HG1 LYS 123 3.793 -50.928 10.157 1.00 37.63 ATOM 2046 HG2 LYS 123 2.181 -50.974 10.864 1.00 64.23 ATOM 2047 CD LYS 123 3.248 -52.832 10.932 1.00 51.53 ATOM 2048 HD1 LYS 123 2.974 -53.239 11.894 1.00 37.63 ATOM 2049 HD2 LYS 123 4.254 -53.140 10.690 1.00 22.03 ATOM 2050 CE LYS 123 2.295 -53.391 9.887 1.00 53.45 ATOM 2051 HE1 LYS 123 2.123 -52.653 9.113 1.00 37.63 ATOM 2052 HE2 LYS 123 1.358 -53.627 10.367 1.00 32.25 ATOM 2053 NZ LYS 123 2.831 -54.626 9.251 1.00 10.01 ATOM 2054 HZ1 LYS 123 3.737 -54.426 8.777 1.00 74.43 ATOM 2055 HZ2 LYS 123 2.157 -54.981 8.543 1.00 24.32 ATOM 2056 HZ3 LYS 123 2.982 -55.366 9.968 1.00 13.34 ATOM 2057 C LYS 123 3.643 -50.758 14.769 1.00 33.31 ATOM 2058 O LYS 123 4.260 -51.669 15.322 1.00 13.34 ATOM 2059 N ARG 124 3.607 -49.517 15.241 1.00 0.44 ATOM 2060 HN ARG 124 3.122 -48.817 14.754 1.00 37.63 ATOM 2061 CA ARG 124 4.308 -49.144 16.464 1.00 12.13 ATOM 2062 HA ARG 124 4.684 -50.040 16.942 1.00 61.54 ATOM 2063 CB ARG 124 5.475 -48.209 16.144 1.00 43.24 ATOM 2064 HB1 ARG 124 5.465 -47.339 16.788 1.00 37.63 ATOM 2065 HB2 ARG 124 5.377 -47.866 15.122 1.00 4.52 ATOM 2066 CG ARG 124 6.838 -48.871 16.267 1.00 32.02 ATOM 2067 HG1 ARG 124 7.586 -48.202 15.866 1.00 37.63 ATOM 2068 HG2 ARG 124 6.837 -49.791 15.698 1.00 33.12 ATOM 2069 CD ARG 124 7.179 -49.177 17.717 1.00 0.22 ATOM 2070 HD1 ARG 124 6.278 -49.391 18.270 1.00 37.63 ATOM 2071 HD2 ARG 124 7.665 -48.316 18.148 1.00 32.04 ATOM 2072 NE ARG 124 8.070 -50.328 17.839 1.00 53.21 ATOM 2073 HE ARG 124 8.422 -50.729 17.010 1.00 33.33 ATOM 2074 CZ ARG 124 8.430 -50.858 19.002 1.00 20.51 ATOM 2075 NH1 ARG 124 7.978 -50.345 20.138 1.00 54.45 ATOM 2076 HH11 ARG 124 7.365 -49.557 20.146 1.00 62.04 ATOM 2077 HH12 ARG 124 8.255 -50.753 21.011 1.00 5.11 ATOM 2078 NH2 ARG 124 9.244 -51.906 19.031 1.00 2.21 ATOM 2079 HH21 ARG 124 9.589 -52.300 18.176 1.00 21.12 ATOM 2080 HH22 ARG 124 9.518 -52.308 19.907 1.00 72.42 ATOM 2081 C ARG 124 3.359 -48.470 17.451 1.00 32.21 ATOM 2082 O ARG 124 2.156 -48.381 17.209 1.00 50.53 ATOM 2083 N GLY 125 3.909 -47.998 18.566 1.00 62.14 ATOM 2084 HN GLY 125 4.866 -48.112 18.730 1.00 37.63 ATOM 2085 CA GLY 125 3.098 -47.339 19.572 1.00 34.44 ATOM 2086 HA1 GLY 125 2.663 -48.090 20.214 1.00 37.63 ATOM 2087 HA2 GLY 125 2.299 -46.784 19.094 1.00 40.13 ATOM 2088 C GLY 125 3.900 -46.377 20.426 1.00 62.53 ATOM 2089 O GLY 125 3.617 -46.204 21.612 1.00 43.41 ATOM 2090 N LEU 126 4.905 -45.752 19.823 1.00 1.31 ATOM 2091 HN LEU 126 5.041 -45.889 18.859 1.00 37.63 ATOM 2092 CA LEU 126 5.753 -44.803 20.536 1.00 1.31 ATOM 2093 HA LEU 126 6.275 -45.340 21.316 1.00 2.12 ATOM 2094 CB LEU 126 6.782 -44.192 19.583 1.00 23.32 ATOM 2095 HB1 LEU 126 7.482 -43.636 20.187 1.00 37.63 ATOM 2096 HB2 LEU 126 6.263 -43.488 18.939 1.00 34.03 ATOM 2097 CG LEU 126 7.558 -45.180 18.710 1.00 14.14 ATOM 2098 HG LEU 126 7.055 -46.134 18.676 1.00 51.20 ATOM 2099 CD1 LEU 126 7.651 -44.669 17.281 1.00 64.51 ATOM 2100 HD11 LEU 126 6.656 -44.529 16.881 1.00 60.25 ATOM 2101 HD12 LEU 126 8.181 -45.389 16.672 1.00 40.25 ATOM 2102 HD13 LEU 126 8.180 -43.726 17.264 1.00 30.23 ATOM 2103 CD2 LEU 126 8.946 -45.423 19.284 1.00 11.11 ATOM 2104 HD21 LEU 126 9.500 -44.494 19.306 1.00 52.30 ATOM 2105 HD22 LEU 126 9.472 -46.141 18.670 1.00 35.31 ATOM 2106 HD23 LEU 126 8.859 -45.812 20.289 1.00 75.11 ATOM 2107 C LEU 126 4.917 -43.698 21.175 1.00 61.40 ATOM 2108 O LEU 126 5.224 -43.228 22.270 1.00 22.54 ATOM 2109 N SER 127 3.858 -43.290 20.484 1.00 73.33 ATOM 2110 HN SER 127 3.667 -43.677 19.599 1.00 37.63 ATOM 2111 CA SER 127 2.978 -42.240 20.983 1.00 74.13 ATOM 2112 HA SER 127 3.166 -42.095 22.037 1.00 22.31 ATOM 2113 CB SER 127 3.251 -40.925 20.250 1.00 23.21 ATOM 2114 HB1 SER 127 4.127 -40.463 20.680 1.00 37.63 ATOM 2115 HB2 SER 127 2.421 -40.257 20.350 1.00 35.24 ATOM 2116 OG SER 127 3.498 -41.150 18.873 1.00 21.40 ATOM 2117 HG SER 127 3.914 -40.374 18.490 1.00 55.32 ATOM 2118 C SER 127 1.513 -42.633 20.815 1.00 21.51 ATOM 2119 O SER 127 1.203 -43.733 20.358 1.00 52.41 ATOM 2120 N ASN 128 0.617 -41.726 21.189 1.00 33.33 ATOM 2121 HN ASN 128 0.907 -40.893 21.553 1.00 37.63 ATOM 2122 CA ASN 128 -0.816 -41.978 21.082 1.00 42.55 ATOM 2123 HA ASN 128 -0.962 -42.888 20.515 1.00 32.24 ATOM 2124 CB ASN 128 -1.427 -42.167 22.471 1.00 34.51 ATOM 2125 HB1 ASN 128 -2.184 -42.932 22.418 1.00 37.63 ATOM 2126 HB2 ASN 128 -1.885 -41.245 22.809 1.00 40.34 ATOM 2127 CG ASN 128 -0.402 -42.607 23.499 1.00 53.32 ATOM 2128 OD1 ASN 128 0.158 -43.699 23.406 1.00 51.05 ATOM 2129 ND2 ASN 128 -0.153 -41.755 24.486 1.00 4.15 ATOM 2130 HD21 ASN 128 -0.629 -40.895 24.512 1.00 43.31 ATOM 2131 HD22 ASN 128 0.506 -42.021 25.160 1.00 23.23 ATOM 2132 C ASN 128 -1.516 -40.832 20.358 1.00 52.53 ATOM 2133 O ASN 128 -1.015 -39.709 20.289 1.00 31.04 ATOM 2134 N PRO 129 -2.704 -41.119 19.804 1.00 23.04 ATOM 2135 CA PRO 129 -3.499 -40.126 19.077 1.00 53.32 ATOM 2136 HA PRO 129 -2.923 -39.651 18.296 1.00 3.43 ATOM 2137 CB PRO 129 -4.622 -40.958 18.453 1.00 31.41 ATOM 2138 HB1 PRO 129 -4.336 -41.249 17.453 1.00 37.63 ATOM 2139 HB2 PRO 129 -5.546 -40.393 18.413 1.00 32.03 ATOM 2140 CG PRO 129 -4.748 -42.149 19.339 1.00 23.24 ATOM 2141 HG1 PRO 129 -5.121 -42.990 18.773 1.00 37.63 ATOM 2142 HG2 PRO 129 -5.410 -41.926 20.162 1.00 3.52 ATOM 2143 CD PRO 129 -3.361 -42.436 19.847 1.00 55.22 ATOM 2144 HD1 PRO 129 -2.860 -43.141 19.200 1.00 37.63 ATOM 2145 HD2 PRO 129 -3.420 -42.818 20.846 1.00 34.12 ATOM 2146 C PRO 129 -4.077 -39.058 19.999 1.00 13.30 ATOM 2147 O PRO 129 -4.587 -38.037 19.539 1.00 42.10 ATOM 2148 N ASN 130 -3.994 -39.300 21.303 1.00 31.41 ATOM 2149 HN ASN 130 -3.613 -40.141 21.628 1.00 37.63 ATOM 2150 CA ASN 130 -4.509 -38.359 22.290 1.00 14.52 ATOM 2151 HA ASN 130 -5.380 -37.862 21.873 1.00 41.32 ATOM 2152 CB ASN 130 -4.916 -39.097 23.567 1.00 25.21 ATOM 2153 HB1 ASN 130 -4.795 -38.442 24.423 1.00 37.63 ATOM 2154 HB2 ASN 130 -4.283 -39.963 23.704 1.00 53.44 ATOM 2155 CG ASN 130 -6.363 -39.548 23.539 1.00 71.13 ATOM 2156 OD1 ASN 130 -7.275 -38.763 23.798 1.00 2.43 ATOM 2157 ND2 ASN 130 -6.581 -40.819 23.222 1.00 25.43 ATOM 2158 HD21 ASN 130 -5.814 -41.402 23.023 1.00 62.43 ATOM 2159 HD22 ASN 130 -7.510 -41.130 23.199 1.00 71.32 ATOM 2160 C ASN 130 -3.471 -37.290 22.616 1.00 1.52 ATOM 2161 O ASN 130 -3.785 -36.101 22.667 1.00 41.11 ATOM 2162 N GLU 131 -2.233 -37.722 22.836 1.00 71.04 ATOM 2163 HN GLU 131 -2.054 -38.688 22.801 1.00 37.63 ATOM 2164 CA GLU 131 -1.149 -36.802 23.157 1.00 43.43 ATOM 2165 HA GLU 131 -1.482 -36.147 23.953 1.00 32.32 ATOM 2166 CB GLU 131 0.079 -37.575 23.642 1.00 2.44 ATOM 2167 HB1 GLU 131 -0.185 -38.112 24.541 1.00 37.63 ATOM 2168 HB2 GLU 131 0.868 -36.871 23.876 1.00 74.02 ATOM 2169 CG GLU 131 0.606 -38.578 22.630 1.00 3.04 ATOM 2170 HG1 GLU 131 0.771 -38.092 21.691 1.00 37.63 ATOM 2171 HG2 GLU 131 -0.128 -39.353 22.508 1.00 40.14 ATOM 2172 CD GLU 131 1.908 -39.221 23.069 1.00 13.54 ATOM 2173 OE1 GLU 131 1.931 -40.457 23.242 1.00 11.14 ATOM 2174 OE2 GLU 131 2.903 -38.486 23.240 1.00 64.05 ATOM 2175 C GLU 131 -0.781 -35.950 21.945 1.00 62.21 ATOM 2176 O GLU 131 -0.403 -34.786 22.081 1.00 4.15 ATOM 2177 N LEU 132 -0.894 -36.539 20.760 1.00 64.24 ATOM 2178 HN LEU 132 -1.178 -37.482 20.708 1.00 37.63 ATOM 2179 CA LEU 132 -0.573 -35.836 19.522 1.00 23.23 ATOM 2180 HA LEU 132 0.488 -35.652 19.514 1.00 11.13 ATOM 2181 CB LEU 132 -0.947 -36.695 18.313 1.00 45.01 ATOM 2182 HB1 LEU 132 -1.997 -36.946 18.399 1.00 37.63 ATOM 2183 HB2 LEU 132 -0.375 -37.613 18.367 1.00 33.41 ATOM 2184 CG LEU 132 -0.715 -36.060 16.941 1.00 13.23 ATOM 2185 HG LEU 132 -1.285 -35.156 16.875 1.00 71.23 ATOM 2186 CD1 LEU 132 0.756 -35.727 16.748 1.00 21.42 ATOM 2187 HD11 LEU 132 1.341 -36.635 16.761 1.00 42.24 ATOM 2188 HD12 LEU 132 1.095 -35.066 17.531 1.00 1.14 ATOM 2189 HD13 LEU 132 0.889 -35.235 15.794 1.00 34.32 ATOM 2190 CD2 LEU 132 -1.205 -36.984 15.836 1.00 24.21 ATOM 2191 HD21 LEU 132 -2.271 -37.130 15.934 1.00 62.02 ATOM 2192 HD22 LEU 132 -0.703 -37.939 15.910 1.00 32.20 ATOM 2193 HD23 LEU 132 -0.991 -36.547 14.877 1.00 41.34 ATOM 2194 C LEU 132 -1.299 -34.497 19.453 1.00 2.40 ATOM 2195 O LEU 132 -0.678 -33.454 19.246 1.00 34.15 ATOM 2196 N GLN 133 -2.616 -34.533 19.629 1.00 23.42 ATOM 2197 HN GLN 133 -3.057 -35.402 19.788 1.00 37.63 ATOM 2198 CA GLN 133 -3.426 -33.322 19.588 1.00 4.41 ATOM 2199 HA GLN 133 -3.374 -32.937 18.583 1.00 54.14 ATOM 2200 CB GLN 133 -4.879 -33.642 19.941 1.00 71.15 ATOM 2201 HB1 GLN 133 -4.962 -33.810 21.007 1.00 37.63 ATOM 2202 HB2 GLN 133 -5.171 -34.549 19.427 1.00 71.23 ATOM 2203 CG GLN 133 -5.855 -32.542 19.556 1.00 12.12 ATOM 2204 HG1 GLN 133 -5.521 -31.608 19.988 1.00 37.63 ATOM 2205 HG2 GLN 133 -6.827 -32.791 19.956 1.00 12.02 ATOM 2206 CD GLN 133 -5.984 -32.374 18.055 1.00 60.20 ATOM 2207 OE1 GLN 133 -6.834 -32.998 17.420 1.00 73.53 ATOM 2208 NE2 GLN 133 -5.138 -31.528 17.479 1.00 55.22 ATOM 2209 HE21 GLN 133 -4.478 -31.056 18.036 1.00 63.32 ATOM 2210 HE22 GLN 133 -5.206 -31.406 16.509 1.00 42.11 ATOM 2211 C GLN 133 -2.878 -32.268 20.546 1.00 71.24 ATOM 2212 O GLN 133 -2.654 -31.122 20.160 1.00 44.53 ATOM 2213 N ALA 134 -2.666 -32.665 21.796 1.00 60.50 ATOM 2214 HN ALA 134 -2.868 -33.599 22.046 1.00 37.63 ATOM 2215 CA ALA 134 -2.143 -31.756 22.808 1.00 34.11 ATOM 2216 HA ALA 134 -2.840 -30.936 22.918 1.00 35.13 ATOM 2217 CB ALA 134 -2.038 -32.465 24.151 1.00 53.35 ATOM 2218 HB1 ALA 134 -1.704 -31.767 24.906 1.00 60.23 ATOM 2219 HB2 ALA 134 -1.333 -33.282 24.078 1.00 2.32 ATOM 2220 HB3 ALA 134 -3.007 -32.853 24.427 1.00 12.14 ATOM 2221 C ALA 134 -0.786 -31.197 22.395 1.00 11.24 ATOM 2222 O ALA 134 -0.497 -30.021 22.613 1.00 3.34 ATOM 2223 N ALA 135 0.043 -32.047 21.799 1.00 73.40 ATOM 2224 HN ALA 135 -0.235 -32.983 21.663 1.00 37.63 ATOM 2225 CA ALA 135 1.369 -31.637 21.355 1.00 70.22 ATOM 2226 HA ALA 135 1.926 -31.300 22.220 1.00 14.43 ATOM 2227 CB ALA 135 2.112 -32.819 20.750 1.00 21.22 ATOM 2228 HB1 ALA 135 3.128 -32.537 20.528 1.00 62.51 ATOM 2229 HB2 ALA 135 1.624 -33.133 19.840 1.00 32.22 ATOM 2230 HB3 ALA 135 2.110 -33.634 21.454 1.00 52.00 ATOM 2231 C ALA 135 1.282 -30.494 20.349 1.00 31.12 ATOM 2232 O ALA 135 1.938 -29.464 20.508 1.00 14.02 ATOM 2233 N ILE 136 0.470 -30.683 19.315 1.00 71.04 ATOM 2234 HN ILE 136 -0.031 -31.531 19.242 1.00 37.63 ATOM 2235 CA ILE 136 0.298 -29.667 18.284 1.00 72.02 ATOM 2236 HA ILE 136 1.269 -29.454 17.851 1.00 4.23 ATOM 2237 CB ILE 136 -0.637 -30.156 17.162 1.00 70.12 ATOM 2238 HB ILE 136 -1.576 -30.440 17.615 1.00 73.52 ATOM 2239 CG1 ILE 136 -0.017 -31.353 16.437 1.00 12.40 ATOM 2240 HG11 ILE 136 0.938 -31.602 16.883 1.00 37.63 ATOM 2241 HG12 ILE 136 0.143 -31.118 15.393 1.00 61.02 ATOM 2242 CG2 ILE 136 -0.925 -29.028 16.183 1.00 42.24 ATOM 2243 HG21 ILE 136 -1.752 -28.443 16.559 1.00 23.42 ATOM 2244 HG22 ILE 136 -1.194 -29.425 15.213 1.00 74.11 ATOM 2245 HG23 ILE 136 -0.067 -28.387 16.080 1.00 3.40 ATOM 2246 CD1 ILE 136 -0.874 -32.598 16.485 1.00 73.15 ATOM 2247 HD11 ILE 136 -1.691 -32.485 17.186 1.00 71.13 ATOM 2248 HD12 ILE 136 -0.259 -33.406 16.797 1.00 21.52 ATOM 2249 HD13 ILE 136 -1.269 -32.804 15.504 1.00 13.03 ATOM 2250 C ILE 136 -0.264 -28.377 18.872 1.00 42.13 ATOM 2251 O ILE 136 0.238 -27.287 18.596 1.00 71.01 ATOM 2252 N ASP 137 -1.306 -28.509 19.685 1.00 52.55 ATOM 2253 HN ASP 137 -1.672 -29.409 19.861 1.00 37.63 ATOM 2254 CA ASP 137 -1.935 -27.353 20.315 1.00 61.42 ATOM 2255 HA ASP 137 -2.371 -26.766 19.549 1.00 40.53 ATOM 2256 CB ASP 137 -3.050 -27.805 21.259 1.00 54.02 ATOM 2257 HB1 ASP 137 -2.753 -28.720 21.754 1.00 37.63 ATOM 2258 HB2 ASP 137 -3.946 -27.987 20.685 1.00 22.34 ATOM 2259 CG ASP 137 -3.366 -26.769 22.319 1.00 10.25 ATOM 2260 OD1 ASP 137 -3.966 -25.729 21.974 1.00 74.40 ATOM 2261 OD2 ASP 137 -3.014 -26.998 23.495 1.00 5.52 ATOM 2262 C ASP 137 -0.907 -26.526 21.081 1.00 54.14 ATOM 2263 O ASP 137 -0.880 -25.300 20.975 1.00 45.14 ATOM 2264 N SER 138 -0.065 -27.205 21.853 1.00 50.12 ATOM 2265 HN SER 138 -0.140 -28.188 21.900 1.00 37.63 ATOM 2266 CA SER 138 0.961 -26.532 22.641 1.00 63.25 ATOM 2267 HA SER 138 0.466 -25.872 23.341 1.00 42.20 ATOM 2268 CB SER 138 1.788 -27.556 23.421 1.00 33.02 ATOM 2269 HB1 SER 138 2.758 -27.695 22.960 1.00 37.63 ATOM 2270 HB2 SER 138 1.273 -28.506 23.443 1.00 35.52 ATOM 2271 OG SER 138 1.982 -27.139 24.761 1.00 22.15 ATOM 2272 HG SER 138 2.697 -26.498 24.800 1.00 45.52 ATOM 2273 C SER 138 1.875 -25.700 21.746 1.00 71.45 ATOM 2274 O SER 138 2.365 -24.646 22.149 1.00 72.52 ATOM 2275 N ASN 139 2.099 -26.183 20.528 1.00 61.23 ATOM 2276 HN ASN 139 1.668 -27.021 20.249 1.00 37.63 ATOM 2277 CA ASN 139 2.954 -25.485 19.574 1.00 23.44 ATOM 2278 HA ASN 139 3.855 -25.169 20.089 1.00 64.30 ATOM 2279 CB ASN 139 3.338 -26.418 18.424 1.00 23.31 ATOM 2280 HB1 ASN 139 3.719 -25.835 17.593 1.00 37.63 ATOM 2281 HB2 ASN 139 2.475 -26.967 18.098 1.00 40.42 ATOM 2282 CG ASN 139 4.412 -27.413 18.821 1.00 72.44 ATOM 2283 OD1 ASN 139 5.396 -27.600 18.105 1.00 41.51 ATOM 2284 ND2 ASN 139 4.226 -28.059 19.966 1.00 0.21 ATOM 2285 HD21 ASN 139 3.439 -27.902 20.503 1.00 2.23 ATOM 2286 HD22 ASN 139 4.922 -28.695 20.233 1.00 71.41 ATOM 2287 C ASN 139 2.258 -24.244 19.026 1.00 14.21 ATOM 2288 O ASN 139 2.747 -23.125 19.182 1.00 62.10 ATOM 2289 N ARG 140 1.112 -24.450 18.384 1.00 2.42 ATOM 2290 HN ARG 140 0.780 -25.373 18.279 1.00 37.63 ATOM 2291 CA ARG 140 0.348 -23.348 17.812 1.00 2.52 ATOM 2292 HA ARG 140 0.905 -22.959 16.973 1.00 10.01 ATOM 2293 CB ARG 140 -1.012 -23.844 17.319 1.00 13.32 ATOM 2294 HB1 ARG 140 -0.849 -24.561 16.527 1.00 37.63 ATOM 2295 HB2 ARG 140 -1.570 -23.005 16.919 1.00 51.52 ATOM 2296 CG ARG 140 -1.845 -24.513 18.401 1.00 40.34 ATOM 2297 HG1 ARG 140 -1.942 -23.860 19.250 1.00 37.63 ATOM 2298 HG2 ARG 140 -1.333 -25.399 18.679 1.00 50.43 ATOM 2299 CD ARG 140 -3.227 -24.886 17.888 1.00 31.41 ATOM 2300 HD1 ARG 140 -3.272 -25.961 17.796 1.00 37.63 ATOM 2301 HD2 ARG 140 -3.395 -24.439 16.915 1.00 55.52 ATOM 2302 NE ARG 140 -4.285 -24.437 18.789 1.00 21.12 ATOM 2303 HE ARG 140 -4.052 -23.783 19.489 1.00 33.33 ATOM 2304 CZ ARG 140 -5.543 -24.856 18.712 1.00 31.01 ATOM 2305 NH1 ARG 140 -5.898 -25.730 17.780 1.00 14.15 ATOM 2306 HH11 ARG 140 -5.241 -26.088 17.121 1.00 61.25 ATOM 2307 HH12 ARG 140 -6.849 -26.042 17.733 1.00 13.34 ATOM 2308 NH2 ARG 140 -6.449 -24.401 19.569 1.00 62.05 ATOM 2309 HH21 ARG 140 -6.187 -23.741 20.276 1.00 24.43 ATOM 2310 HH22 ARG 140 -7.399 -24.716 19.513 1.00 53.34 ATOM 2311 C ARG 140 0.155 -22.232 18.835 1.00 54.21 ATOM 2312 O ARG 140 0.173 -21.050 18.490 1.00 73.10 ATOM 2313 N ARG 141 -0.031 -22.616 20.094 1.00 51.44 ATOM 2314 HN ARG 141 -0.055 -23.576 20.315 1.00 37.63 ATOM 2315 CA ARG 141 -0.230 -21.648 21.166 1.00 61.10 ATOM 2316 HA ARG 141 -1.071 -21.020 20.903 1.00 52.34 ATOM 2317 CB ARG 141 -0.546 -22.367 22.479 1.00 60.44 ATOM 2318 HB1 ARG 141 0.233 -23.092 22.670 1.00 37.63 ATOM 2319 HB2 ARG 141 -1.489 -22.885 22.371 1.00 51.32 ATOM 2320 CG ARG 141 -0.643 -21.436 23.676 1.00 53.34 ATOM 2321 HG1 ARG 141 -1.445 -20.733 23.506 1.00 37.63 ATOM 2322 HG2 ARG 141 0.287 -20.900 23.790 1.00 75.45 ATOM 2323 CD ARG 141 -0.902 -22.206 24.961 1.00 2.42 ATOM 2324 HD1 ARG 141 -0.214 -21.855 25.718 1.00 37.63 ATOM 2325 HD2 ARG 141 -0.731 -23.264 24.799 1.00 50.32 ATOM 2326 NE ARG 141 -2.269 -22.025 25.442 1.00 60.12 ATOM 2327 HE ARG 141 -2.867 -22.804 25.403 1.00 31.52 ATOM 2328 CZ ARG 141 -2.734 -20.877 25.922 1.00 24.23 ATOM 2329 NH1 ARG 141 -1.945 -19.813 25.985 1.00 23.44 ATOM 2330 HH11 ARG 141 -0.997 -19.841 25.687 1.00 1.21 ATOM 2331 HH12 ARG 141 -2.311 -18.951 26.343 1.00 54.25 ATOM 2332 NH2 ARG 141 -3.990 -20.792 26.340 1.00 0.54 ATOM 2333 HH21 ARG 141 -4.591 -21.593 26.295 1.00 23.32 ATOM 2334 HH22 ARG 141 -4.343 -19.927 26.703 1.00 64.41 ATOM 2335 C ARG 141 1.005 -20.768 21.340 1.00 35.22 ATOM 2336 O ARG 141 0.910 -19.541 21.326 1.00 24.41 ATOM 2337 N GLU 142 2.160 -21.405 21.505 1.00 41.53 ATOM 2338 HN GLU 142 2.166 -22.392 21.514 1.00 37.63 ATOM 2339 CA GLU 142 3.412 -20.679 21.683 1.00 43.10 ATOM 2340 HA GLU 142 3.346 -20.144 22.623 1.00 64.34 ATOM 2341 CB GLU 142 4.591 -21.654 21.728 1.00 14.02 ATOM 2342 HB1 GLU 142 5.346 -21.360 21.007 1.00 37.63 ATOM 2343 HB2 GLU 142 4.249 -22.646 21.468 1.00 24.43 ATOM 2344 CG GLU 142 5.255 -21.742 23.092 1.00 64.43 ATOM 2345 HG1 GLU 142 5.918 -22.595 23.096 1.00 37.63 ATOM 2346 HG2 GLU 142 4.495 -21.879 23.849 1.00 31.32 ATOM 2347 CD GLU 142 6.063 -20.504 23.429 1.00 54.24 ATOM 2348 OE1 GLU 142 5.610 -19.716 24.286 1.00 74.34 ATOM 2349 OE2 GLU 142 7.146 -20.322 22.836 1.00 43.33 ATOM 2350 C GLU 142 3.619 -19.666 20.560 1.00 32.23 ATOM 2351 O GLU 142 3.151 -19.861 19.439 1.00 32.55 ATOM 2352 N GLY 143 4.323 -18.582 20.871 1.00 24.21 ATOM 2353 HN GLY 143 4.685 -18.478 21.782 1.00 37.63 ATOM 2354 CA GLY 143 4.579 -17.554 19.879 1.00 24.22 ATOM 2355 HA1 GLY 143 3.881 -17.641 19.054 1.00 37.63 ATOM 2356 HA2 GLY 143 5.580 -17.686 19.497 1.00 34.53 ATOM 2357 C GLY 143 4.463 -16.155 20.451 1.00 62.21 ATOM 2358 O GLY 143 5.078 -15.217 19.944 1.00 64.12 ATOM 2359 N ARG 144 3.671 -16.014 21.508 1.00 11.35 ATOM 2360 HN ARG 144 3.190 -16.791 21.871 1.00 37.63 ATOM 2361 CA ARG 144 3.474 -14.718 22.148 1.00 72.34 ATOM 2362 HA ARG 144 4.265 -14.044 21.843 1.00 42.12 ATOM 2363 CB ARG 144 2.132 -14.117 21.726 1.00 51.40 ATOM 2364 HB1 ARG 144 2.174 -13.933 20.661 1.00 37.63 ATOM 2365 HB2 ARG 144 1.990 -13.172 22.236 1.00 61.20 ATOM 2366 CG ARG 144 0.941 -15.010 22.031 1.00 60.51 ATOM 2367 HG1 ARG 144 0.598 -14.800 23.033 1.00 37.63 ATOM 2368 HG2 ARG 144 1.227 -16.049 21.965 1.00 12.02 ATOM 2369 CD ARG 144 -0.198 -14.774 21.051 1.00 20.44 ATOM 2370 HD1 ARG 144 -0.660 -15.727 20.838 1.00 37.63 ATOM 2371 HD2 ARG 144 0.180 -14.354 20.127 1.00 11.01 ATOM 2372 NE ARG 144 -1.214 -13.880 21.599 1.00 52.21 ATOM 2373 HE ARG 144 -1.082 -13.532 22.512 1.00 64.05 ATOM 2374 CZ ARG 144 -2.303 -13.511 20.934 1.00 14.42 ATOM 2375 NH1 ARG 144 -2.517 -13.957 19.704 1.00 24.11 ATOM 2376 HH11 ARG 144 -1.871 -14.573 19.255 1.00 44.24 ATOM 2377 HH12 ARG 144 -3.342 -13.673 19.210 1.00 33.52 ATOM 2378 NH2 ARG 144 -3.182 -12.693 21.500 1.00 34.42 ATOM 2379 HH21 ARG 144 -3.027 -12.352 22.429 1.00 11.14 ATOM 2380 HH22 ARG 144 -4.004 -12.413 21.000 1.00 25.02 ATOM 2381 C ARG 144 3.531 -14.847 23.667 1.00 74.30 ATOM 2382 O ARG 144 3.581 -15.954 24.204 1.00 1.23 ATOM 2383 N ARG 145 3.522 -13.709 24.353 1.00 24.20 ATOM 2384 HN ARG 145 3.478 -12.852 23.864 1.00 37.63 ATOM 2385 HA ARG 145 4.501 -14.165 26.117 1.00 12.44 ATOM 2386 CB ARG 145 3.553 -12.256 26.328 1.00 1.32 ATOM 2387 HB1 ARG 145 3.452 -12.274 27.408 1.00 37.63 ATOM 2388 HB2 ARG 145 2.699 -11.747 25.904 1.00 53.12 ATOM 2389 CG ARG 145 4.802 -11.463 25.977 1.00 32.35 ATOM 2390 HG1 ARG 145 4.769 -11.204 24.929 1.00 37.63 ATOM 2391 HG2 ARG 145 5.678 -12.067 26.173 1.00 23.51 ATOM 2392 CD ARG 145 4.900 -10.186 26.797 1.00 75.10 ATOM 2393 HD1 ARG 145 3.947 -9.672 26.780 1.00 37.63 ATOM 2394 HD2 ARG 145 5.652 -9.554 26.346 1.00 61.31 ATOM 2395 NE ARG 145 5.275 -10.452 28.183 1.00 61.41 ATOM 2396 HE ARG 145 5.323 -11.392 28.476 1.00 33.22 ATOM 2397 CZ ARG 145 5.551 -9.499 29.066 1.00 42.03 ATOM 2398 NH1 ARG 145 5.494 -8.223 28.709 1.00 74.44 ATOM 2399 HH11 ARG 145 5.245 -7.953 27.780 1.00 42.02 ATOM 2400 HH12 ARG 145 5.705 -7.511 29.382 1.00 72.34 ATOM 2401 NH2 ARG 145 5.885 -9.821 30.309 1.00 42.31 ATOM 2402 HH21 ARG 145 5.930 -10.783 30.585 1.00 64.21 ATOM 2403 HH22 ARG 145 6.094 -9.104 30.977 1.00 11.34 ATOM 2404 CA ARG 145 3.575 -13.695 25.810 1.00 53.11 ATOM 2405 C ARG 145 2.408 -14.478 26.404 1.00 75.24 ATOM 2406 OT1 ARG 145 2.664 -15.413 27.193 1.00 37.63 ATOM 2407 OT2 ARG 145 1.245 -14.160 26.069 1.00 37.63 ATOM 2408 OH2 TIP3 1 -2.868 -50.747 -17.627 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -3.355 -51.482 -17.998 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -2.319 -51.140 -16.949 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -6.306 -55.613 -4.212 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -6.747 -56.333 -3.762 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -6.319 -54.892 -3.582 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -5.794 -53.773 -1.864 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -6.736 -53.715 -1.703 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -5.518 -52.867 -2.001 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -7.542 -51.992 -5.239 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -7.117 -52.699 -5.724 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -7.225 -51.191 -5.656 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -6.383 -54.091 -6.730 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -6.640 -54.781 -7.342 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -6.312 -54.534 -5.885 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -2.855 -59.185 -0.187 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -3.507 -58.490 -0.098 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -2.390 -58.975 -0.997 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -6.921 -60.179 1.539 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -6.841 -59.416 2.111 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -7.522 -59.900 0.848 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -8.497 -53.451 -1.279 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -8.738 -52.789 -0.631 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -8.695 -54.285 -0.854 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -13.926 -54.555 2.704 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -14.238 -53.773 3.160 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -14.576 -54.708 2.018 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -10.221 -52.454 -6.409 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -9.747 -52.159 -5.631 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -10.784 -51.716 -6.642 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -15.687 -52.483 3.468 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -15.679 -52.619 2.520 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -16.603 -52.601 3.720 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -11.163 -53.270 2.200 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -11.076 -52.444 2.675 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -12.027 -53.600 2.449 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -10.749 -49.498 -7.994 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -10.824 -49.619 -8.940 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -10.716 -48.548 -7.875 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -7.978 -50.418 -8.242 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -8.913 -50.318 -8.063 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -7.698 -51.127 -7.664 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -4.990 -61.351 3.804 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -5.397 -60.870 3.084 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -4.949 -62.256 3.497 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -10.496 -60.719 4.109 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -11.059 -61.423 4.429 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -9.670 -60.839 4.576 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -9.330 -59.810 0.106 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -9.006 -60.441 -0.537 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -9.770 -60.345 0.767 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -4.912 -57.361 -0.338 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -4.270 -56.904 -0.881 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -5.742 -57.248 -0.800 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -10.542 -56.310 2.113 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -10.888 -56.691 2.919 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -10.742 -55.376 2.184 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -4.265 -52.817 -9.105 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -4.638 -53.643 -8.795 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -3.988 -53.000 -10.002 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -7.105 -58.009 -2.083 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -8.033 -58.241 -2.110 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -6.654 -58.786 -2.413 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -12.620 -51.869 -0.059 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -12.257 -51.014 -0.292 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -12.088 -52.161 0.682 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -9.076 -55.770 -0.358 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -9.502 -55.997 0.468 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -8.495 -56.508 -0.541 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -2.369 -50.361 -11.083 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -1.626 -49.775 -11.223 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -3.064 -49.793 -10.750 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -14.836 -51.374 5.926 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -14.068 -51.833 6.267 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -14.857 -51.600 4.996 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -12.871 -56.513 4.693 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -13.199 -56.242 3.835 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -12.719 -57.454 4.605 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -9.727 -57.803 5.332 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -8.774 -57.719 5.304 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -9.887 -58.514 5.951 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -7.997 -61.295 5.897 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -7.805 -62.226 5.786 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -7.140 -60.870 5.887 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -2.963 -55.862 -1.847 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -2.129 -56.240 -2.128 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -2.851 -54.919 -1.966 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -2.582 -60.253 4.091 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -3.445 -60.632 3.926 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -1.978 -60.992 4.017 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -4.584 -61.225 0.442 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -5.427 -60.957 0.808 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -4.141 -60.403 0.231 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -15.354 -52.320 0.681 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -15.779 -51.511 0.398 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -14.449 -52.235 0.379 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -15.485 -49.464 -0.242 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -16.350 -49.392 0.162 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -15.540 -48.917 -1.026 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -10.774 -49.576 -1.066 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -11.231 -49.047 -1.720 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -10.611 -48.973 -0.341 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -13.859 -51.261 -2.858 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -13.646 -52.149 -3.145 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -13.794 -51.295 -1.903 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -3.713 -50.444 -8.113 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -3.907 -51.192 -8.678 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -3.752 -49.686 -8.697 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -6.306 -55.613 14.644 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -6.747 -56.333 15.094 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -6.319 -54.892 15.274 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -9.195 -50.508 14.856 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -8.575 -51.185 14.583 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -9.403 -50.726 15.764 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -9.148 -55.206 11.966 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -9.444 -55.528 11.115 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -9.472 -54.306 12.008 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -5.794 -53.773 16.992 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -6.736 -53.715 17.153 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -5.518 -52.867 16.855 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -7.542 -51.992 13.617 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -7.117 -52.699 13.132 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -7.225 -51.191 13.200 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -6.383 -54.091 12.126 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -6.640 -54.781 11.514 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -6.312 -54.534 12.971 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -4.697 -55.525 20.603 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -4.557 -56.116 19.864 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -4.529 -54.652 20.247 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -6.818 -58.353 11.327 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -7.550 -58.125 11.900 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -6.371 -59.067 11.782 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -8.497 -53.451 17.577 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -8.738 -52.789 18.225 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -8.695 -54.285 18.002 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -7.947 -59.191 9.012 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -7.368 -59.041 9.759 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -7.533 -58.720 8.289 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -10.221 -52.454 12.447 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -9.747 -52.159 13.225 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -10.784 -51.716 12.214 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -2.142 -52.844 22.180 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -2.191 -53.799 22.143 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -2.968 -52.576 22.582 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -10.749 -49.498 10.862 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -10.824 -49.619 9.916 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -10.716 -48.548 10.981 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -7.978 -50.418 10.614 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -8.913 -50.318 10.793 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -7.698 -51.127 11.192 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -6.470 -58.158 6.642 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -6.428 -58.381 5.712 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -5.621 -57.760 6.832 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -4.860 -48.976 23.287 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -4.660 -48.552 22.452 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -4.204 -48.633 23.894 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -4.912 -57.361 18.518 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -4.270 -56.904 17.975 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -5.742 -57.248 18.056 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -9.936 -55.035 8.757 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -10.231 -54.209 9.139 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -10.639 -55.655 8.953 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -7.105 -58.009 16.773 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -8.033 -58.241 16.746 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -6.654 -58.786 16.443 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -6.873 -54.841 7.572 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -6.520 -55.221 8.376 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -7.822 -54.934 7.658 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -6.417 -51.218 20.967 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -7.019 -51.773 20.472 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -6.136 -50.551 20.341 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -6.007 -56.168 9.798 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -6.284 -56.896 10.354 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -5.080 -56.049 10.004 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -12.782 -53.729 6.019 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -12.543 -54.477 5.471 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -13.051 -54.117 6.851 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -13.845 -54.159 8.475 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -13.698 -54.679 9.265 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -13.848 -53.252 8.781 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -11.107 -52.461 9.224 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -11.924 -51.964 9.277 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -10.578 -51.986 8.584 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -13.769 -51.418 9.206 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -13.608 -50.618 8.705 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -13.966 -51.111 10.091 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -9.833 -55.092 5.984 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -10.101 -54.912 6.885 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -10.039 -56.018 5.853 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -3.575 -57.569 6.262 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -3.848 -57.994 5.449 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -3.535 -56.638 6.045 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -13.067 -49.233 7.818 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -12.134 -49.075 7.962 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -13.331 -48.558 7.193 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -2.868 -50.747 20.085 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -3.355 -51.482 19.714 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -2.319 -51.140 20.763 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -3.116 -56.700 10.237 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -2.266 -56.279 10.365 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -3.111 -57.440 10.845 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -2.722 -58.647 12.061 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -3.448 -59.126 12.459 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -2.141 -58.441 12.793 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -2.963 -55.862 17.009 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -2.129 -56.240 16.728 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -2.851 -54.919 16.890 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -4.476 -52.984 19.316 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -5.124 -52.659 19.941 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -4.994 -53.424 18.641 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -2.454 -58.746 8.452 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -2.975 -58.389 7.733 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -2.487 -58.071 9.130 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -4.105 -61.506 7.003 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -4.008 -60.839 6.323 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -4.245 -62.322 6.521 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -8.447 -50.698 18.735 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -9.351 -50.533 18.469 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -8.018 -49.845 18.669 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -5.842 -49.128 19.030 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -6.024 -48.212 18.819 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -5.666 -49.538 18.183 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -2.369 -50.361 26.629 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -1.626 -49.775 26.489 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -3.064 -49.793 26.962 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -10.012 -39.696 -21.370 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -10.050 -40.342 -20.665 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -10.335 -40.162 -22.141 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -6.306 -36.757 -23.068 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -6.747 -37.477 -22.618 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -6.319 -36.036 -22.438 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -11.623 -37.263 -20.964 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -11.319 -37.949 -21.558 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -10.901 -37.145 -20.346 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -2.960 -45.662 -20.103 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -2.911 -45.052 -19.367 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -2.534 -45.201 -20.826 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -8.482 -42.869 -20.636 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -8.339 -43.816 -20.616 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -8.588 -42.662 -21.565 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -5.841 -45.346 -22.982 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -6.056 -46.112 -22.450 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -5.185 -44.874 -22.469 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -5.794 -34.917 -20.720 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -6.736 -34.859 -20.559 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -5.518 -34.011 -20.857 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -5.494 -46.631 -19.303 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -6.230 -46.020 -19.341 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -4.810 -46.216 -19.829 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -6.818 -39.497 -26.385 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -7.550 -39.269 -25.812 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -6.371 -40.211 -25.930 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -8.497 -34.595 -20.135 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -8.738 -33.933 -19.487 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -8.695 -35.429 -19.710 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -11.163 -34.414 -16.656 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -11.076 -33.588 -16.181 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -12.027 -34.744 -16.407 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -7.233 -44.163 -16.831 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -7.747 -44.289 -16.034 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -7.388 -43.251 -17.076 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -10.496 -41.863 -14.747 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -11.059 -42.567 -14.427 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -9.670 -41.983 -14.280 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -8.594 -42.592 -23.421 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -8.789 -41.987 -24.136 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -8.412 -43.426 -23.856 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -9.330 -40.954 -18.750 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -9.006 -41.585 -19.393 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -9.770 -41.489 -18.089 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -8.147 -45.792 -20.702 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -8.824 -45.661 -20.038 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -8.633 -45.947 -21.512 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -4.860 -30.120 -14.425 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -4.660 -29.696 -15.260 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -4.204 -29.777 -13.818 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -10.542 -37.454 -16.743 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -10.888 -37.835 -15.937 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -10.742 -36.520 -16.672 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -12.912 -40.365 -14.683 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -13.208 -40.531 -15.578 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -11.981 -40.585 -14.693 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -8.292 -34.992 -16.793 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -9.193 -34.809 -17.061 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -8.258 -34.733 -15.872 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -7.105 -39.153 -20.939 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -8.033 -39.385 -20.966 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -6.654 -39.930 -21.269 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -9.076 -36.914 -19.214 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -9.502 -37.141 -18.388 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -8.495 -37.652 -19.397 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -6.417 -32.362 -16.745 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -7.019 -32.917 -17.240 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -6.136 -31.695 -17.371 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -11.040 -43.022 -17.331 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -10.921 -42.448 -16.574 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -10.385 -43.710 -17.216 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -4.836 -45.115 -16.496 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -5.752 -44.852 -16.584 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -4.500 -45.118 -17.393 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -6.234 -41.364 -22.400 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -7.031 -41.779 -22.729 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -5.789 -42.055 -21.909 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -5.147 -32.108 -20.778 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -5.303 -31.430 -21.435 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -4.215 -32.036 -20.575 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -8.259 -34.138 -14.201 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -8.610 -34.994 -13.958 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -7.533 -33.995 -13.594 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -12.871 -37.657 -14.163 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -13.199 -37.386 -15.021 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -12.719 -38.598 -14.251 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -9.727 -38.947 -13.524 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -8.774 -38.863 -13.552 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -9.887 -39.658 -12.905 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -12.413 -40.254 -17.987 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -11.662 -40.410 -18.560 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -12.752 -39.402 -18.263 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -7.997 -42.439 -12.959 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -7.805 -43.370 -13.070 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -7.140 -42.014 -12.969 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -9.209 -44.788 -15.156 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -10.157 -44.756 -15.024 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -8.897 -45.413 -14.502 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -2.868 -31.891 -17.627 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -3.355 -32.626 -17.998 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -2.319 -32.284 -16.949 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -3.116 -37.844 -27.475 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -2.266 -37.423 -27.347 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -3.111 -38.584 -26.867 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -2.722 -39.791 -25.651 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -3.448 -40.270 -25.253 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -2.141 -39.585 -24.919 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -4.476 -34.128 -18.396 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -5.124 -33.803 -17.771 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -4.994 -34.568 -19.071 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -4.935 -41.270 -25.088 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -5.085 -42.215 -25.108 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -5.289 -40.989 -24.244 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -2.301 -48.389 -13.060 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -1.951 -49.043 -13.666 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -2.154 -47.552 -13.500 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -2.781 -46.280 -14.711 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -3.698 -46.009 -14.747 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -2.658 -46.815 -15.495 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -8.698 -30.780 -15.972 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -8.021 -31.412 -16.212 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -8.376 -30.378 -15.164 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -3.780 -48.190 -16.892 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -4.593 -47.865 -17.280 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -3.547 -48.950 -17.425 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -8.447 -31.842 -18.977 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -9.351 -31.677 -19.243 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -8.018 -30.989 -19.043 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -5.842 -30.272 -18.682 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -6.024 -29.356 -18.893 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -5.666 -30.682 -19.529 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -10.012 -39.696 -2.514 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -10.050 -40.342 -1.809 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -10.335 -40.162 -3.285 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -9.195 -31.652 -4.000 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -8.575 -32.329 -4.273 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -9.403 -31.870 -3.092 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -11.623 -37.263 -2.108 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -11.319 -37.949 -2.702 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -10.901 -37.145 -1.490 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -7.605 -44.637 -6.107 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -6.959 -44.966 -5.482 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -7.095 -44.119 -6.730 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -13.551 -40.821 -4.530 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -12.935 -41.347 -4.021 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -14.137 -41.461 -4.934 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -13.948 -38.174 -0.146 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -14.688 -37.576 -0.043 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -13.234 -37.620 -0.462 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -12.491 -48.544 -2.981 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -12.608 -49.493 -3.035 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -13.346 -48.212 -2.708 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -4.697 -36.669 1.747 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -4.557 -37.260 1.008 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -4.529 -35.796 1.391 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -10.224 -39.707 -8.481 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -10.936 -39.172 -8.832 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -9.533 -39.651 -9.141 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -10.170 -41.249 -11.442 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -9.469 -41.227 -10.791 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -9.868 -41.877 -12.098 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -7.947 -40.335 -9.844 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -7.368 -40.185 -9.097 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -7.533 -39.864 -10.567 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -10.221 -33.598 -6.409 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -9.747 -33.303 -5.631 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -10.784 -32.860 -6.642 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -4.249 -48.585 -10.031 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -5.148 -48.446 -9.736 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -3.997 -47.754 -10.433 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -11.163 -34.414 2.200 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -11.076 -33.588 2.675 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -12.027 -34.744 2.449 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -10.749 -30.642 -7.994 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -10.824 -30.763 -8.940 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -10.716 -29.692 -7.875 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -7.647 -31.488 -10.991 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -7.272 -32.232 -11.462 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -7.643 -31.758 -10.073 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -15.131 -42.675 -1.108 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -15.773 -42.716 -0.399 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -15.094 -41.749 -1.346 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -9.598 -42.038 -7.379 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -10.007 -41.223 -7.671 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -8.878 -42.178 -7.994 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -12.552 -45.027 -5.110 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -13.463 -44.970 -4.821 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -12.047 -45.087 -4.299 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -4.860 -30.120 4.431 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -4.660 -29.696 3.596 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -4.204 -29.777 5.038 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -11.232 -42.239 -3.223 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -10.668 -42.786 -3.770 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -11.380 -42.761 -2.434 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -12.606 -43.851 -0.809 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -13.441 -43.397 -0.699 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -12.082 -43.575 -0.057 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -12.062 -37.638 -9.124 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -12.806 -38.145 -9.447 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -12.196 -37.589 -8.178 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -8.164 -44.824 -10.925 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -9.102 -44.712 -11.076 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -7.867 -43.967 -10.619 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -10.542 -37.454 2.113 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -10.888 -37.835 2.919 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -10.742 -36.520 2.184 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -7.446 -42.957 -9.264 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -6.554 -43.094 -8.945 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -7.389 -42.166 -9.801 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -9.936 -36.179 -10.099 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -10.231 -35.353 -9.717 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -10.639 -36.799 -9.903 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -12.912 -40.365 4.173 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -13.208 -40.531 3.278 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -11.981 -40.585 4.163 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -8.292 -34.992 2.063 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -9.193 -34.809 1.795 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -8.258 -34.733 2.984 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -13.135 -37.162 -6.374 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -13.376 -36.237 -6.332 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -13.875 -37.621 -5.978 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -6.417 -32.362 2.111 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -7.019 -32.917 1.616 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -6.136 -31.695 1.485 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -8.776 -45.736 -8.495 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -8.556 -45.264 -9.298 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -8.218 -45.341 -7.824 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -11.107 -33.605 -9.632 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -11.924 -33.108 -9.579 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -10.578 -33.130 -10.272 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -11.576 -44.008 -7.660 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -10.764 -43.504 -7.614 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -11.821 -44.153 -6.746 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -10.692 -46.927 -6.722 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -11.039 -46.309 -6.077 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -10.034 -46.426 -7.203 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -10.744 -33.010 -12.699 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -11.388 -33.641 -12.377 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -9.982 -33.541 -12.931 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -8.259 -34.138 4.655 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -8.610 -34.994 4.898 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -7.533 -33.995 5.262 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -12.871 -37.657 4.693 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -13.199 -37.386 3.835 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -12.719 -38.598 4.605 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -9.833 -36.236 -12.872 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -10.101 -36.056 -11.971 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -10.039 -37.162 -13.003 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -7.136 -37.741 2.076 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -6.391 -37.153 1.956 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -7.893 -37.159 2.139 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -14.747 -41.418 2.054 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -15.365 -40.743 2.335 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -14.403 -41.097 1.221 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -14.407 -44.063 3.137 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -14.257 -44.792 2.534 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -14.405 -43.286 2.578 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -13.995 -45.693 0.629 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -13.459 -45.242 -0.023 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -14.847 -45.801 0.207 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -12.413 -40.254 0.869 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -11.662 -40.410 0.296 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -12.752 -39.402 0.593 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -15.929 -42.865 5.048 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -16.696 -43.397 4.838 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -15.250 -43.175 4.449 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -13.189 -48.237 1.061 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -13.287 -47.290 0.955 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -13.932 -48.609 0.585 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -17.748 -44.944 4.753 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -17.537 -45.651 4.142 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -17.860 -45.382 5.597 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -4.105 -42.650 -11.853 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -4.008 -41.983 -12.533 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -4.245 -43.466 -12.335 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -4.857 -45.242 -12.736 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -4.247 -45.614 -12.099 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -5.694 -45.664 -12.540 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -5.225 -43.687 -7.770 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -4.945 -44.594 -7.645 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -4.466 -43.253 -8.159 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -4.611 -46.424 -7.721 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -4.429 -46.873 -6.896 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -5.211 -47.009 -8.185 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -2.745 -46.357 -11.193 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -2.332 -47.078 -11.669 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -2.063 -45.687 -11.135 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -8.698 -30.780 2.884 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -8.021 -31.412 2.644 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -8.376 -30.378 3.692 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -10.774 -30.720 -1.066 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -11.231 -30.191 -1.720 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -10.611 -30.117 -0.341 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -8.447 -31.842 -0.121 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -9.351 -31.677 -0.387 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -8.018 -30.989 -0.187 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -5.842 -30.272 0.174 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -6.024 -29.356 -0.037 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -5.666 -30.682 -0.673 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -13.444 -48.180 -6.078 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -12.570 -47.792 -6.108 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -13.580 -48.395 -5.155 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -6.534 -48.124 -8.736 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -7.237 -47.510 -8.946 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -6.979 -48.962 -8.605 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -10.422 -31.151 -10.793 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -9.556 -30.785 -10.971 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -10.669 -31.591 -11.606 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -16.093 -48.242 5.162 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -15.194 -48.516 4.977 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -16.479 -48.985 5.626 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -8.945 -38.951 12.923 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -8.856 -38.007 12.791 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -9.584 -39.226 12.265 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -10.012 -39.696 16.342 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -10.050 -40.342 17.047 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -10.335 -40.162 15.571 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -6.306 -36.757 14.644 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -6.747 -37.477 15.094 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -6.319 -36.036 15.274 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -11.623 -37.263 16.748 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -11.319 -37.949 16.154 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -10.901 -37.145 17.366 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -8.482 -42.869 17.076 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -8.339 -43.816 17.096 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -8.588 -42.662 16.147 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -13.551 -40.821 14.326 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -12.935 -41.347 14.835 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -14.137 -41.461 13.922 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -9.148 -36.350 11.966 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -9.444 -36.672 11.115 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -9.472 -35.450 12.008 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -5.841 -45.346 14.730 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -6.056 -46.112 15.262 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -5.185 -44.874 15.243 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -5.494 -46.631 18.409 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -6.230 -46.020 18.371 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -4.810 -46.216 17.883 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -6.383 -35.235 12.126 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -6.640 -35.925 11.514 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -6.312 -35.678 12.971 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -10.224 -39.707 10.375 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -10.936 -39.172 10.024 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -9.533 -39.651 9.715 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -13.806 -35.439 15.891 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -13.901 -36.017 15.134 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -13.077 -35.810 16.387 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -13.926 -35.699 21.560 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -14.238 -34.917 22.016 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -14.576 -35.852 20.874 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -10.221 -33.598 12.447 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -9.747 -33.303 13.225 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -10.784 -32.860 12.214 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -11.163 -34.414 21.056 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -11.076 -33.588 21.531 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -12.027 -34.744 21.305 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -10.749 -30.642 10.862 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -10.824 -30.763 9.916 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -10.716 -29.692 10.981 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -7.647 -31.488 7.865 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -7.272 -32.232 7.394 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -7.643 -31.758 8.783 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -7.978 -31.562 10.614 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -8.913 -31.462 10.793 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -7.698 -32.271 11.192 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -10.496 -41.863 22.965 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -11.059 -42.567 23.285 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -9.670 -41.983 23.432 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -8.594 -42.592 14.291 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -8.789 -41.987 13.576 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -8.412 -43.426 13.856 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -9.330 -40.954 18.962 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -9.006 -41.585 18.319 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -9.770 -41.489 19.623 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -12.552 -45.027 13.746 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -13.463 -44.970 14.035 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -12.047 -45.087 14.557 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -14.071 -43.398 10.229 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -13.139 -43.269 10.407 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -14.286 -42.728 9.580 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -8.147 -45.792 17.010 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -8.824 -45.661 17.674 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -8.633 -45.947 16.200 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -15.397 -42.203 7.796 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -15.939 -42.583 7.105 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -14.563 -42.009 7.367 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -11.232 -42.239 15.633 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -10.668 -42.786 15.086 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -11.380 -42.761 16.422 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -12.062 -37.638 9.732 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -12.806 -38.145 9.409 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -12.196 -37.589 10.678 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -10.542 -37.454 20.969 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -10.888 -37.835 21.775 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -10.742 -36.520 21.040 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -9.936 -36.179 8.757 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -10.231 -35.353 9.139 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -10.639 -36.799 8.953 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -12.912 -40.365 23.029 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -13.208 -40.531 22.134 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -11.981 -40.585 23.019 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -12.620 -33.013 18.797 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -12.257 -32.158 18.564 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -12.088 -33.305 19.538 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -9.076 -36.914 18.498 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -9.502 -37.141 19.324 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -8.495 -37.652 18.315 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -6.873 -35.985 7.572 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -6.520 -36.365 8.376 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -7.822 -36.078 7.658 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -6.007 -37.312 9.798 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -6.284 -38.040 10.354 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -5.080 -37.193 10.004 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -9.560 -45.388 19.264 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -8.862 -45.314 19.914 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -9.941 -46.252 19.419 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -11.576 -44.008 11.196 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -10.764 -43.504 11.242 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -11.821 -44.153 12.110 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -11.040 -43.022 20.381 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -10.921 -42.448 21.138 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -10.385 -43.710 20.496 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -10.692 -46.927 12.134 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -11.039 -46.309 12.779 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -10.034 -46.426 11.653 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -15.035 -45.864 8.822 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -15.118 -44.975 9.168 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -14.145 -46.129 9.053 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -8.259 -34.138 23.511 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -8.610 -34.994 23.754 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -7.533 -33.995 24.118 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -6.140 -33.193 6.391 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -5.857 -33.987 6.844 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -5.400 -32.960 5.830 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -12.871 -37.657 23.549 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -13.199 -37.386 22.691 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -12.719 -38.598 23.461 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -9.833 -36.236 5.984 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -10.101 -36.056 6.885 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -10.039 -37.162 5.853 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -14.036 -39.311 8.554 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -14.495 -39.795 9.240 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -13.781 -39.979 7.918 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -12.965 -41.068 6.817 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -13.145 -41.222 5.889 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -12.014 -40.960 6.861 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -12.413 -40.254 19.725 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -11.662 -40.410 19.152 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -12.752 -39.402 19.449 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -11.925 -43.915 23.480 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -12.161 -44.135 24.382 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -12.708 -44.122 22.971 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -9.209 -44.788 22.556 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -10.157 -44.756 22.688 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -8.897 -45.413 23.210 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -7.575 -46.154 24.561 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -7.672 -47.106 24.555 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -7.897 -45.885 25.422 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -2.301 -48.389 24.652 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -1.951 -49.043 24.046 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -2.154 -47.552 24.212 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -5.693 -31.368 12.735 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -5.040 -31.715 12.127 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -5.182 -30.879 13.381 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -11.043 -32.065 22.496 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -10.858 -32.399 23.374 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -10.196 -31.756 22.174 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -3.780 -48.190 20.820 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -4.593 -47.865 20.432 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -3.547 -48.950 20.287 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -10.774 -30.720 17.790 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -11.231 -30.191 17.136 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -10.611 -30.117 18.515 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -13.859 -32.405 15.998 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -13.646 -33.293 15.711 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -13.794 -32.439 16.953 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -10.350 -46.741 15.143 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -11.025 -47.370 15.398 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -9.786 -47.225 14.540 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -13.444 -48.180 12.778 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -12.570 -47.792 12.748 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -13.580 -48.395 13.701 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -7.887 -48.150 14.427 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -7.811 -48.055 13.478 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -8.163 -49.058 14.556 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -17.326 -46.393 7.211 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -16.835 -47.023 6.683 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -16.703 -46.097 7.874 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -12.300 -46.100 9.668 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -12.122 -46.746 10.351 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -12.354 -45.266 10.135 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -3.713 -31.588 10.743 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -3.907 -32.336 10.178 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -3.752 -30.830 10.159 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -9.148 -36.350 30.822 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -9.444 -36.672 29.971 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -9.472 -35.450 30.864 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -10.224 -39.707 29.231 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -10.936 -39.172 28.880 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -9.533 -39.651 28.571 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -10.170 -41.249 26.270 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -9.469 -41.227 26.921 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -9.868 -41.877 25.614 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -6.818 -39.497 30.183 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -7.550 -39.269 30.756 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -6.371 -40.211 30.638 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -7.947 -40.335 27.868 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -7.368 -40.185 28.615 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -7.533 -39.864 27.145 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -4.249 -48.585 27.681 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -5.148 -48.446 27.976 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -3.997 -47.754 27.279 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -7.647 -31.488 26.721 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -7.272 -32.232 26.250 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -7.643 -31.758 27.639 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -10.897 -45.426 26.168 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -11.151 -45.407 27.091 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -11.154 -46.298 25.867 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -9.598 -42.038 30.333 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -10.007 -41.223 30.041 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -8.878 -42.178 29.718 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -12.062 -37.638 28.588 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -12.806 -38.145 28.265 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -12.196 -37.589 29.534 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -8.164 -44.824 26.787 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -9.102 -44.712 26.636 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -7.867 -43.967 27.093 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -7.446 -42.957 28.448 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -6.554 -43.094 28.767 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -7.389 -42.166 27.911 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -9.936 -36.179 27.613 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -10.231 -35.353 27.995 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -10.639 -36.799 27.809 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -2.561 -42.747 28.142 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -3.115 -43.143 27.470 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -2.460 -41.837 27.865 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -4.265 -33.961 28.607 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -4.638 -34.787 28.917 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -3.988 -34.144 27.710 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -6.007 -37.312 28.654 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -6.284 -38.040 29.210 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -5.080 -37.193 28.860 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -12.782 -34.873 24.875 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -12.543 -35.621 24.327 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -13.051 -35.261 25.707 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -11.107 -33.605 28.080 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -11.924 -33.108 28.133 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -10.578 -33.130 27.440 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -10.744 -33.010 25.013 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -11.388 -33.641 25.335 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -9.982 -33.541 24.781 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -6.140 -33.193 25.247 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -5.857 -33.987 25.700 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -5.400 -32.960 24.686 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -14.036 -39.311 27.410 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -14.495 -39.795 28.096 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -13.781 -39.979 26.774 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -12.965 -41.068 25.673 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -13.145 -41.222 24.745 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -12.014 -40.960 25.717 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -3.116 -37.844 29.093 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -2.266 -37.423 29.221 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -3.111 -38.584 29.701 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -2.722 -39.791 30.917 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -3.448 -40.270 31.315 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -2.141 -39.585 31.649 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -2.454 -39.890 27.308 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -2.975 -39.533 26.589 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -2.487 -39.215 27.986 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -4.105 -42.650 25.859 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -4.008 -41.983 25.179 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -4.245 -43.466 25.377 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -4.857 -45.242 24.976 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -4.247 -45.614 25.613 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -5.694 -45.664 25.172 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -5.225 -43.687 29.942 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -4.945 -44.594 30.067 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -4.466 -43.253 29.553 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -2.745 -46.357 26.519 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -2.332 -47.078 26.043 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -2.063 -45.687 26.577 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -3.713 -31.588 29.599 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -3.907 -32.336 29.034 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -3.752 -30.830 29.015 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -2.960 -26.806 -20.103 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -2.911 -26.196 -19.367 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -2.534 -26.345 -20.826 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -4.990 -23.639 -15.052 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -5.397 -23.158 -15.772 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -4.949 -24.544 -15.359 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -2.597 -18.091 -15.589 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -3.449 -17.853 -15.956 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -2.007 -18.108 -16.342 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -4.836 -26.259 -16.496 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -5.752 -25.996 -16.584 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -4.500 -26.262 -17.393 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -7.997 -23.583 -12.959 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -7.805 -24.514 -13.070 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -7.140 -23.158 -12.969 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -6.681 -20.794 -14.881 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -6.962 -20.085 -15.459 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -5.738 -20.867 -15.032 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -7.575 -27.298 -13.151 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -7.672 -28.250 -13.157 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -7.897 -27.029 -12.290 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -4.417 -17.245 -12.989 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -5.283 -17.350 -12.595 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -4.041 -16.486 -12.542 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -4.079 -20.444 -15.449 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -3.496 -21.178 -15.258 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -3.515 -19.672 -15.403 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -2.582 -22.541 -14.765 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -3.445 -22.920 -14.930 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -1.978 -23.280 -14.839 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -2.781 -27.424 -14.711 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -3.698 -27.153 -14.747 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -2.658 -27.959 -15.495 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -3.780 -29.334 -16.892 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -4.593 -29.009 -17.280 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -3.547 -30.094 -17.425 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -5.208 -29.778 -22.457 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -4.604 -29.230 -22.958 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -6.077 -29.458 -22.697 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -3.481 -28.639 -24.123 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -2.869 -29.153 -24.650 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -3.098 -27.761 -24.100 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -7.671 -30.054 -13.512 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -7.595 -30.480 -12.658 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -6.778 -30.040 -13.854 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -8.945 -20.095 -5.933 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -8.856 -19.151 -6.065 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -9.584 -20.370 -6.591 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -10.012 -20.840 -2.514 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -10.050 -21.486 -1.809 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -10.335 -21.306 -3.285 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -8.482 -24.013 -1.780 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -8.339 -24.960 -1.760 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -8.588 -23.806 -2.709 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -9.148 -17.494 -6.890 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -9.444 -17.816 -7.741 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -9.472 -16.594 -6.848 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -5.794 -16.061 -1.864 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -6.736 -16.003 -1.703 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -5.518 -15.155 -2.001 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -12.491 -29.688 -2.981 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -12.608 -30.637 -3.035 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -13.346 -29.356 -2.708 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -7.542 -14.280 -5.239 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -7.117 -14.987 -5.724 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -7.225 -13.479 -5.656 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -6.383 -16.379 -6.730 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -6.640 -17.069 -7.342 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -6.312 -16.822 -5.885 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -4.697 -17.813 1.747 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -4.557 -18.404 1.008 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -4.529 -16.940 1.391 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -10.224 -20.851 -8.481 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -10.936 -20.316 -8.832 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -9.533 -20.795 -9.141 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -10.170 -22.393 -11.442 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -9.469 -22.371 -10.791 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -9.868 -23.021 -12.098 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -6.921 -22.467 1.539 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -6.841 -21.704 2.111 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -7.522 -22.188 0.848 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -8.497 -15.739 -1.279 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -8.738 -15.077 -0.631 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -8.695 -16.573 -0.854 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -7.947 -21.479 -9.844 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -7.368 -21.329 -9.097 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -7.533 -21.008 -10.567 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -3.059 -15.363 -11.654 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -2.986 -14.424 -11.484 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -2.154 -15.668 -11.711 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -4.990 -23.639 3.804 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -5.397 -23.158 3.084 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -4.949 -24.544 3.497 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -7.233 -25.307 2.025 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -7.747 -25.433 2.822 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -7.388 -24.395 1.780 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -6.470 -20.446 -12.214 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -6.428 -20.669 -13.144 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -5.621 -20.048 -12.024 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -9.598 -23.182 -7.379 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -10.007 -22.367 -7.671 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -8.878 -23.322 -7.994 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -9.330 -22.098 0.106 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -9.006 -22.729 -0.537 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -9.770 -22.633 0.767 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -12.552 -26.171 -5.110 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -13.463 -26.114 -4.821 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -12.047 -26.231 -4.299 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -8.147 -26.936 -1.846 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -8.824 -26.805 -1.182 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -8.633 -27.091 -2.656 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -11.232 -23.383 -3.223 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -10.668 -23.930 -3.770 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -11.380 -23.905 -2.434 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -8.164 -25.968 -10.925 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -9.102 -25.856 -11.076 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -7.867 -25.111 -10.619 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -2.597 -18.091 3.267 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -3.449 -17.853 2.900 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -2.007 -18.108 2.514 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -4.265 -15.105 -9.105 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -4.638 -15.931 -8.795 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -3.988 -15.288 -10.002 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -9.076 -18.058 -0.358 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -9.502 -18.285 0.468 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -8.495 -18.796 -0.541 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -6.873 -17.129 -11.284 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -6.520 -17.509 -10.480 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -7.822 -17.222 -11.198 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -6.007 -18.456 -9.058 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -6.284 -19.184 -8.502 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -5.080 -18.337 -8.852 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -9.560 -26.532 0.408 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -8.862 -26.458 1.058 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -9.941 -27.396 0.563 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -8.776 -26.880 -8.495 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -8.556 -26.408 -9.298 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -8.218 -26.485 -7.824 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -11.576 -25.152 -7.660 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -10.764 -24.648 -7.614 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -11.821 -25.297 -6.746 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -11.040 -24.166 1.525 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -10.921 -23.592 2.282 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -10.385 -24.854 1.640 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -10.692 -28.071 -6.722 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -11.039 -27.453 -6.077 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -10.034 -27.570 -7.203 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -4.836 -26.259 2.360 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -5.752 -25.996 2.272 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -4.500 -26.262 1.463 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -5.147 -13.252 -1.922 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -5.303 -12.574 -2.579 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -4.215 -13.180 -1.719 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -7.136 -18.885 2.076 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -6.391 -18.297 1.956 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -7.893 -18.303 2.139 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -3.575 -19.857 -12.594 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -3.848 -20.282 -13.407 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -3.535 -18.926 -12.811 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -6.681 -20.794 3.975 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -6.962 -20.085 3.397 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -5.738 -20.867 3.824 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -9.209 -25.932 3.700 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -10.157 -25.900 3.832 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -8.897 -26.557 4.354 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -7.575 -27.298 5.705 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -7.672 -28.250 5.699 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -7.897 -27.029 6.566 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -4.476 -15.272 0.460 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -5.124 -14.947 1.085 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -4.994 -15.712 -0.215 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -4.079 -20.444 3.407 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -3.496 -21.178 3.598 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -3.515 -19.672 3.453 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -2.582 -22.541 4.091 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -3.445 -22.920 3.926 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -1.978 -23.280 4.017 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -4.857 -26.386 -12.736 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -4.247 -26.758 -12.099 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -5.694 -26.808 -12.540 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -2.781 -27.424 4.145 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -3.698 -27.153 4.109 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -2.658 -27.959 3.361 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -3.780 -29.334 1.964 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -4.593 -29.009 1.576 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -3.547 -30.094 1.431 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -10.350 -27.885 -3.713 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -11.025 -28.514 -3.458 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -9.786 -28.369 -4.316 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -7.671 -30.054 5.344 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -7.595 -30.480 6.198 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -6.778 -30.040 5.002 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -10.012 -20.840 16.342 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -10.050 -21.486 17.047 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -10.335 -21.306 15.571 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -6.306 -17.901 14.644 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -6.747 -18.621 15.094 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -6.319 -17.180 15.274 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -7.605 -25.781 12.749 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -6.959 -26.110 13.374 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -7.095 -25.263 12.126 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -5.794 -16.061 16.992 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -6.736 -16.003 17.153 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -5.518 -15.155 16.855 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -12.491 -29.688 15.875 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -12.608 -30.637 15.821 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -13.346 -29.356 16.148 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -7.542 -14.280 13.617 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -7.117 -14.987 13.132 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -7.225 -13.479 13.200 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -4.697 -17.813 20.603 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -4.557 -18.404 19.864 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -4.529 -16.940 20.247 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -8.497 -15.739 17.577 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -8.738 -15.077 18.225 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -8.695 -16.573 18.002 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -10.559 -29.063 20.027 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -10.139 -29.478 20.780 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -11.492 -29.241 20.144 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -9.598 -23.182 11.477 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -10.007 -22.367 11.185 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -8.878 -23.322 10.862 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -10.496 -23.007 22.965 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -11.059 -23.711 23.285 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -9.670 -23.127 23.432 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -8.594 -23.736 14.291 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -8.789 -23.131 13.576 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -8.412 -24.570 13.856 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -12.552 -26.171 13.746 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -13.463 -26.114 14.035 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -12.047 -26.231 14.557 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -11.232 -23.383 15.633 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -10.668 -23.930 15.086 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -11.380 -23.905 16.422 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -12.606 -24.995 18.047 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -13.441 -24.541 18.157 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -12.082 -24.719 18.799 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -4.912 -19.649 18.518 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -4.270 -19.192 17.975 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -5.742 -19.536 18.056 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -10.542 -18.598 20.969 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -10.888 -18.979 21.775 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -10.742 -17.664 21.040 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -12.912 -21.509 23.029 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -13.208 -21.675 22.134 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -11.981 -21.729 23.019 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -8.292 -16.136 20.919 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -9.193 -15.953 20.651 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -8.258 -15.877 21.840 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -7.105 -20.297 16.773 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -8.033 -20.529 16.746 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -6.654 -21.074 16.443 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -9.076 -18.058 18.498 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -9.502 -18.285 19.324 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -8.495 -18.796 18.315 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -11.040 -24.166 20.381 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -10.921 -23.592 21.138 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -10.385 -24.854 20.496 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -10.692 -28.071 12.134 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -11.039 -27.453 12.779 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -10.034 -27.570 11.653 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -6.234 -22.508 15.312 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -7.031 -22.923 14.983 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -5.789 -23.199 15.803 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -8.259 -15.282 23.511 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -8.610 -16.138 23.754 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -7.533 -15.139 24.118 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -7.136 -18.885 20.932 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -6.391 -18.297 20.812 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -7.893 -18.303 20.995 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -9.727 -20.091 24.188 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -8.774 -20.007 24.160 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -9.887 -20.802 24.807 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -13.995 -26.837 19.485 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -13.459 -26.386 18.833 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -14.847 -26.945 19.063 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -12.413 -21.398 19.725 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -11.662 -21.554 19.152 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -12.752 -20.546 19.449 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -7.997 -23.583 24.753 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -7.805 -24.514 24.642 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -7.140 -23.158 24.743 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -6.681 -20.794 22.831 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -6.962 -20.085 22.253 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -5.738 -20.867 22.680 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -13.189 -29.381 19.917 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -13.287 -28.434 19.811 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -13.932 -29.753 19.441 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -11.925 -25.059 23.480 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -12.161 -25.279 24.382 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -12.708 -25.266 22.971 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -9.209 -25.932 22.556 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -10.157 -25.900 22.688 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -8.897 -26.557 23.210 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -7.575 -27.298 24.561 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -7.672 -28.250 24.555 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -7.897 -27.029 25.422 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -3.116 -18.988 10.237 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -2.266 -18.567 10.365 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -3.111 -19.728 10.845 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -2.722 -20.935 12.061 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -3.448 -21.414 12.459 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -2.141 -20.729 12.793 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -2.963 -18.150 17.009 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -2.129 -18.528 16.728 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -2.851 -17.207 16.890 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -2.454 -21.034 8.452 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -2.975 -20.677 7.733 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -2.487 -20.359 9.130 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -4.105 -23.794 7.003 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -4.008 -23.127 6.323 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -4.245 -24.610 6.521 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -4.935 -22.414 12.624 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -5.085 -23.359 12.604 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -5.289 -22.133 13.468 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -4.857 -26.386 6.120 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -4.247 -26.758 6.757 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -5.694 -26.808 6.316 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -5.225 -24.831 11.086 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -4.945 -25.738 11.211 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -4.466 -24.397 10.697 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -4.611 -27.568 11.135 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -4.429 -28.017 11.960 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -5.211 -28.153 10.671 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -5.693 -12.512 12.735 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -5.040 -12.859 12.127 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -5.182 -12.023 13.381 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -11.043 -13.209 22.496 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -10.858 -13.543 23.374 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -10.196 -12.900 22.174 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -8.698 -11.924 21.740 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -8.021 -12.556 21.500 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -8.376 -11.522 22.548 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -8.447 -12.986 18.735 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -9.351 -12.821 18.469 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -8.018 -12.133 18.669 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -10.350 -27.885 15.143 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -11.025 -28.514 15.398 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -9.786 -28.369 14.540 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -7.887 -29.294 14.427 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -7.811 -29.199 13.478 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -8.163 -30.202 14.556 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -6.534 -29.268 10.120 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -7.237 -28.654 9.910 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -6.979 -30.106 10.251 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -7.671 -30.054 24.200 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -7.595 -30.480 25.054 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -6.778 -30.040 23.858 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -8.945 -20.095 31.779 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -8.856 -19.151 31.647 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -9.584 -20.370 31.121 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -9.148 -17.494 30.822 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -9.444 -17.816 29.971 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -9.472 -16.594 30.864 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -6.383 -16.379 30.982 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -6.640 -17.069 30.370 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -6.312 -16.822 31.827 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -10.224 -20.851 29.231 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -10.936 -20.316 28.880 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -9.533 -20.795 28.571 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -10.170 -22.393 26.270 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -9.469 -22.371 26.921 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -9.868 -23.021 25.614 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -6.818 -20.641 30.183 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -7.550 -20.413 30.756 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -6.371 -21.355 30.638 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -7.947 -21.479 27.868 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -7.368 -21.329 28.615 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -7.533 -21.008 27.145 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -4.249 -29.729 27.681 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -5.148 -29.590 27.976 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -3.997 -28.898 27.279 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -3.059 -15.363 26.058 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -2.986 -14.424 26.228 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -2.154 -15.668 26.001 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -7.647 -12.632 26.721 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -7.272 -13.376 26.250 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -7.643 -12.902 27.639 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -9.598 -23.182 30.333 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -10.007 -22.367 30.041 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -8.878 -23.322 29.718 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -8.164 -25.968 26.787 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -9.102 -25.856 26.636 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -7.867 -25.111 27.093 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -7.446 -24.101 28.448 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -6.554 -24.238 28.767 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -7.389 -23.310 27.911 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -9.936 -17.323 27.613 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -10.231 -16.497 27.995 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -10.639 -17.943 27.809 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -4.265 -15.105 28.607 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -4.638 -15.931 28.917 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -3.988 -15.288 27.710 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -6.873 -17.129 26.428 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -6.520 -17.509 27.232 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -7.822 -17.222 26.514 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -6.140 -14.337 25.247 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -5.857 -15.131 25.700 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -5.400 -14.104 24.686 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -9.833 -17.380 24.840 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -10.101 -17.200 25.741 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -10.039 -18.306 24.709 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -2.722 -20.935 30.917 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -3.448 -21.414 31.315 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -2.141 -20.729 31.649 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -4.935 -22.414 31.480 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -5.085 -23.359 31.460 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -5.289 -22.133 32.324 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -5.225 -24.831 29.942 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -4.945 -25.738 30.067 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -4.466 -24.397 29.553 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -4.611 -27.568 29.991 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -4.429 -28.017 30.816 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -5.211 -28.153 29.527 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -6.534 -29.268 28.976 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -7.237 -28.654 28.766 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -6.979 -30.106 29.107 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -3.713 -12.732 29.599 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -3.907 -13.480 29.034 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -3.752 -11.974 29.015 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -2.960 -7.950 17.609 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -2.911 -7.340 18.345 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -2.534 -7.489 16.886 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -2.568 -6.472 19.845 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -3.257 -5.814 19.750 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -2.553 -6.669 20.782 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -5.494 -8.919 18.409 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -6.230 -8.308 18.371 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -4.810 -8.504 17.883 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -10.559 -10.207 20.027 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -10.139 -10.622 20.780 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -11.492 -10.385 20.144 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -7.233 -6.451 20.881 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -7.747 -6.577 21.678 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -7.388 -5.539 20.636 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -4.836 -7.403 21.216 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -5.752 -7.140 21.128 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -4.500 -7.406 20.319 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -7.575 -8.442 24.561 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -7.672 -9.394 24.555 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -7.897 -8.173 25.422 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -2.781 -8.568 23.001 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -3.698 -8.297 22.965 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -2.658 -9.103 22.217 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -5.208 -10.922 15.255 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -4.604 -10.374 14.754 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -6.077 -10.602 15.015 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -3.481 -9.783 13.589 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -2.869 -10.297 13.062 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -3.098 -8.905 13.612 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -7.671 -11.198 24.200 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -7.595 -11.624 25.054 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -6.778 -11.184 23.858 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -4.249 -10.873 27.681 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -5.148 -10.734 27.976 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -3.997 -10.042 27.279 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -4.857 -7.530 24.976 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -4.247 -7.902 25.613 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -5.694 -7.952 25.172 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -2.745 -8.645 26.519 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -2.332 -9.366 26.043 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -2.063 -7.975 26.577 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 9.661 -50.508 -22.856 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 10.281 -51.185 -23.129 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 9.453 -50.726 -21.948 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 3.169 -52.483 -15.388 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 3.177 -52.619 -16.336 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 2.253 -52.601 -15.136 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 13.996 -48.976 -14.425 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 14.196 -48.552 -15.260 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 14.652 -48.633 -13.818 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 6.236 -51.869 -18.915 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 6.599 -51.014 -19.148 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 6.768 -52.161 -18.174 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 12.439 -51.218 -16.745 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 11.837 -51.773 -17.240 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 12.720 -50.551 -17.371 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 0.212 -52.180 -18.903 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 0.429 -53.112 -18.934 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 0.459 -51.906 -18.019 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -0.577 -50.293 -14.550 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -0.037 -50.510 -13.791 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -1.058 -51.099 -14.740 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 4.020 -51.374 -12.930 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 4.788 -51.833 -12.589 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 3.999 -51.600 -13.860 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 10.597 -52.994 -14.201 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 10.246 -53.850 -13.958 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 11.323 -52.851 -13.594 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 15.988 -50.747 -17.627 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 15.501 -51.482 -17.998 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 16.537 -51.140 -16.949 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 0.548 -53.295 -14.434 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -0.273 -53.120 -14.894 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 0.296 -53.368 -13.513 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 3.502 -52.320 -18.175 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 3.077 -51.511 -18.458 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 4.407 -52.235 -18.477 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 7.813 -50.921 -15.216 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 7.998 -51.255 -14.338 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 8.660 -50.612 -15.538 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 10.158 -49.636 -15.972 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 10.835 -50.268 -16.212 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 10.480 -49.234 -15.164 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 0.904 -49.064 -18.128 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 0.184 -48.624 -18.579 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 0.538 -49.315 -17.279 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 3.371 -49.464 -19.098 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 2.506 -49.392 -18.694 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 3.316 -48.917 -19.882 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 8.082 -49.576 -19.922 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 7.625 -49.047 -20.576 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 8.245 -48.973 -19.197 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 10.409 -50.698 -18.977 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 9.505 -50.533 -19.243 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 10.838 -49.845 -19.043 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 13.014 -49.128 -18.682 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 12.832 -48.212 -18.893 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 13.190 -49.538 -19.529 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 0.319 -50.441 -21.217 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 0.300 -50.866 -20.360 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 1.124 -50.759 -21.626 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 4.997 -51.261 -21.714 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 5.210 -52.149 -22.001 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 5.062 -51.295 -20.759 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 14.361 -51.693 -14.819 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 13.579 -51.879 -15.339 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 14.289 -50.764 -14.602 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 9.911 -57.807 -5.933 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 10.000 -56.863 -6.065 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 9.272 -58.082 -6.591 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 1.212 -58.937 -0.921 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 1.254 -59.563 -0.197 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 1.915 -58.314 -0.739 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -0.544 -58.665 -4.867 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -0.330 -59.435 -4.340 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 0.194 -58.576 -5.470 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 10.374 -61.725 -1.780 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 10.517 -62.672 -1.760 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 10.268 -61.518 -2.709 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 5.305 -59.677 -4.530 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 5.921 -60.203 -4.021 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 4.719 -60.317 -4.934 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 16.288 -63.040 0.989 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 15.599 -62.382 0.894 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 16.303 -63.237 1.926 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 4.908 -57.030 -0.146 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 4.168 -56.432 -0.043 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 5.622 -56.476 -0.462 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -0.563 -55.395 -8.577 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -0.835 -55.166 -9.466 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -0.518 -54.557 -8.117 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 8.632 -58.563 -8.481 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 7.920 -58.028 -8.832 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 9.323 -58.507 -9.141 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 12.038 -58.353 -7.529 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 11.306 -58.125 -6.956 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 12.485 -59.067 -7.074 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 3.683 -57.723 -5.646 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 3.353 -58.093 -6.465 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 4.271 -58.393 -5.300 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 4.050 -58.954 -2.013 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 4.615 -58.833 -2.776 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 4.369 -58.317 -1.374 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 10.909 -59.191 -9.844 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 11.488 -59.041 -9.097 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 11.323 -58.720 -10.567 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 1.850 -58.357 1.933 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 1.920 -57.706 2.631 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 0.959 -58.254 1.598 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 2.673 -58.653 -8.057 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 2.381 -57.885 -8.548 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 1.999 -59.313 -8.220 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 15.797 -53.075 -11.654 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 15.870 -52.136 -11.484 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 16.702 -53.380 -11.711 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -1.234 -56.290 0.758 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -1.735 -56.318 -0.057 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -1.228 -57.196 1.068 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 13.866 -61.351 3.804 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 13.459 -60.870 3.084 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 13.907 -62.256 3.497 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 11.623 -63.019 2.025 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 11.109 -63.145 2.822 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 11.468 -62.107 1.780 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 8.360 -60.719 4.109 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 7.797 -61.423 4.429 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 9.186 -60.839 4.576 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 10.262 -61.448 -4.565 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 10.067 -60.843 -5.280 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 10.444 -62.282 -5.000 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 10.709 -64.648 -1.846 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 10.032 -64.517 -1.182 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 10.223 -64.803 -2.656 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 7.624 -61.095 -3.223 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 8.188 -61.642 -3.770 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 7.476 -61.617 -2.434 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 6.250 -62.707 -0.809 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 5.415 -62.253 -0.699 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 6.774 -62.431 -0.057 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 6.794 -56.494 -9.124 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 6.050 -57.001 -9.447 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 6.660 -56.445 -8.178 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 8.920 -55.035 -10.099 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 8.625 -54.209 -9.717 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 8.217 -55.655 -9.903 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -1.073 -58.738 1.960 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -0.850 -59.156 2.792 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -1.675 -59.351 1.538 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 5.944 -59.221 4.173 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 5.648 -59.387 3.278 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 6.875 -59.441 4.163 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 14.591 -52.817 -9.105 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 14.218 -53.643 -8.795 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 14.868 -53.000 -10.002 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 5.721 -56.018 -6.374 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 5.480 -55.093 -6.332 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 4.981 -56.477 -5.978 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 11.983 -54.841 -11.284 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 12.336 -55.221 -10.480 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 11.034 -54.934 -11.198 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 16.487 -50.361 -11.083 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 17.230 -49.775 -11.223 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 15.792 -49.793 -10.750 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 12.849 -56.168 -9.058 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 12.572 -56.896 -8.502 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 13.776 -56.049 -8.852 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 6.074 -53.729 -12.837 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 6.313 -54.477 -13.385 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 5.805 -54.117 -12.005 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 5.011 -54.159 -10.381 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 5.158 -54.679 -9.591 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 5.008 -53.252 -10.075 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 1.464 -56.906 -9.871 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 0.778 -56.554 -9.304 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 1.987 -56.143 -10.117 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 9.296 -64.244 0.408 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 9.994 -64.170 1.058 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 8.915 -65.108 0.563 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 7.816 -61.878 1.525 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 7.935 -61.304 2.282 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 8.471 -62.566 1.640 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 12.622 -60.220 -3.544 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 11.825 -60.635 -3.873 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 13.067 -60.911 -3.053 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 2.080 -54.292 -10.974 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 2.672 -53.593 -10.698 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 2.539 -54.725 -11.693 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 0.134 -52.906 -7.024 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -0.698 -52.433 -6.997 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 0.680 -52.396 -7.623 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 8.112 -51.866 -12.699 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 7.468 -52.497 -12.377 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 8.874 -52.397 -12.931 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 12.716 -52.049 -12.465 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 12.999 -52.843 -12.012 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 13.456 -51.816 -13.026 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -0.670 -56.483 5.260 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -0.526 -57.385 4.974 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -1.443 -56.197 4.772 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 5.985 -56.513 4.693 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 5.657 -56.242 3.835 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 6.137 -57.454 4.605 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 9.023 -55.092 -12.872 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 8.755 -54.912 -11.971 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 8.817 -56.018 -13.003 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 0.162 -59.283 4.680 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 0.570 -60.140 4.559 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -0.098 -59.268 5.601 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 4.109 -60.274 2.054 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 3.491 -59.599 2.335 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 4.453 -59.953 1.221 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 6.443 -59.110 0.869 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 7.194 -59.266 0.296 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 6.104 -58.258 0.593 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 10.859 -61.295 5.897 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 11.051 -62.226 5.786 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 11.716 -60.870 5.887 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 6.931 -62.771 4.624 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 6.695 -62.991 5.526 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 6.148 -62.978 4.115 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 9.647 -63.644 3.700 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 8.699 -63.612 3.832 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 9.959 -64.269 4.354 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -1.994 -49.204 -6.478 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -2.641 -49.666 -7.011 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -1.639 -49.876 -5.895 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 15.740 -56.700 -8.619 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 16.590 -56.279 -8.491 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 15.745 -57.440 -8.011 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 16.134 -58.647 -6.795 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 15.408 -59.126 -6.397 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 16.715 -58.441 -6.063 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 13.921 -60.126 -6.232 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 13.771 -61.071 -6.252 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 13.567 -59.845 -5.388 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -1.044 -58.048 -2.222 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -0.860 -58.130 -3.157 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -0.195 -58.172 -1.798 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 16.274 -60.253 4.091 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 15.411 -60.632 3.926 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 16.878 -60.992 4.017 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 14.243 -61.962 -2.334 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 15.176 -61.750 -2.368 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 14.008 -61.860 -1.411 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 14.272 -61.225 0.442 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 13.429 -60.957 0.808 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 14.715 -60.403 0.231 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -0.430 -51.217 -9.190 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -1.115 -51.255 -9.858 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -0.427 -50.304 -8.902 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 15.143 -50.444 -8.113 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 14.949 -51.192 -8.678 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 15.104 -49.686 -8.697 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 1.388 -50.297 -12.165 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 1.120 -50.010 -11.292 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 2.159 -50.843 -12.013 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 9.911 -57.807 12.923 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 10.000 -56.863 12.791 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 9.272 -58.082 12.265 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 8.844 -58.552 16.342 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 8.806 -59.198 17.047 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 8.521 -59.018 15.571 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 12.550 -55.613 14.644 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 12.109 -56.333 15.094 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 12.537 -54.892 15.274 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -1.254 -60.827 11.863 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -1.702 -59.981 11.845 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -1.815 -61.407 11.348 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 -0.544 -58.665 13.989 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 -0.330 -59.435 14.516 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 0.194 -58.576 13.386 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 7.233 -56.119 16.748 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 7.537 -56.805 16.154 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 7.955 -56.001 17.366 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 5.305 -59.677 14.326 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 5.921 -60.203 14.835 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 4.719 -60.317 13.922 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 9.708 -55.206 11.966 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 9.412 -55.528 11.115 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 9.384 -54.306 12.008 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 4.908 -57.030 18.710 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 4.168 -56.432 18.813 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 5.622 -56.476 18.394 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 3.316 -55.066 19.497 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 3.310 -54.187 19.119 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 2.462 -55.149 19.922 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 13.062 -53.773 16.992 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 12.120 -53.715 17.153 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 13.338 -52.867 16.855 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 11.314 -51.992 13.617 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 11.739 -52.699 13.132 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 11.631 -51.191 13.200 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 12.473 -54.091 12.126 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 12.216 -54.781 11.514 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 12.544 -54.534 12.971 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 14.159 -55.525 20.603 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 14.299 -56.116 19.864 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 14.327 -54.652 20.247 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 8.632 -58.563 10.375 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 7.920 -58.028 10.024 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 9.323 -58.507 9.715 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 8.686 -60.105 7.414 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 9.387 -60.083 8.065 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 8.988 -60.733 6.758 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 12.038 -58.353 11.327 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 11.306 -58.125 11.900 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 12.485 -59.067 11.782 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 3.683 -57.723 13.210 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 3.353 -58.093 12.391 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 4.271 -58.393 13.556 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 4.050 -58.954 16.843 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 4.615 -58.833 16.080 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 4.369 -58.317 17.482 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 4.930 -54.555 21.560 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 4.618 -53.773 22.016 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 4.280 -54.708 20.874 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 10.909 -59.191 9.012 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 11.488 -59.041 9.759 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 11.323 -58.720 8.289 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 8.635 -52.454 12.447 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 9.109 -52.159 13.225 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 8.072 -51.716 12.214 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 3.169 -52.483 22.324 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 3.177 -52.619 21.376 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 2.253 -52.601 22.576 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 2.673 -58.653 10.799 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 2.381 -57.885 10.308 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 1.999 -59.313 10.636 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 -1.234 -56.290 19.614 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 -1.735 -56.318 18.799 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 -1.228 -57.196 19.924 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 11.209 -50.344 7.865 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 11.584 -51.088 7.394 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 11.213 -50.614 8.783 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 10.878 -50.418 10.614 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 9.943 -50.318 10.793 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 11.158 -51.127 11.192 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 1.015 -54.967 20.657 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 1.232 -55.328 21.517 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 0.160 -55.341 20.447 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 3.722 -61.310 12.660 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 2.829 -61.651 12.601 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 4.173 -61.687 11.904 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 9.258 -60.894 11.477 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 8.849 -60.079 11.185 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 9.978 -61.034 10.862 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 9.526 -59.810 18.962 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 9.850 -60.441 18.319 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 9.086 -60.345 19.623 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 4.785 -62.254 10.229 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 5.717 -62.125 10.407 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 4.570 -61.584 9.580 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 3.459 -61.059 7.796 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 2.917 -61.439 7.105 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 4.293 -60.865 7.367 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 13.996 -48.976 23.287 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 14.196 -48.552 22.452 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 14.652 -48.633 23.894 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 6.794 -56.494 9.732 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 6.050 -57.001 9.409 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 6.660 -56.445 10.678 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 13.944 -57.361 18.518 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 14.586 -56.904 17.975 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 13.114 -57.248 18.056 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 10.692 -63.680 7.931 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 9.754 -63.568 7.780 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 10.989 -62.823 8.237 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 8.314 -56.310 20.969 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 7.968 -56.691 21.775 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 8.114 -55.376 21.040 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 11.410 -61.813 9.592 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 12.302 -61.950 9.911 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 11.467 -61.022 9.055 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 1.919 -57.199 15.501 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 2.664 -57.201 14.900 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 1.997 -58.023 15.983 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 8.920 -55.035 8.757 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 8.625 -54.209 9.139 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 8.217 -55.655 8.953 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 16.295 -61.603 9.286 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 15.741 -61.999 8.614 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 16.396 -60.693 9.009 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 14.591 -52.817 9.751 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 14.218 -53.643 10.061 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 14.868 -53.000 8.854 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 11.751 -58.009 16.773 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 10.823 -58.241 16.746 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 12.202 -58.786 16.443 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 0.049 -58.819 7.493 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 0.665 -58.192 7.872 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 -0.813 -58.503 7.764 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 5.721 -56.018 12.482 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 5.480 -55.093 12.524 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 4.981 -56.477 12.878 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 16.487 -50.361 7.773 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 17.230 -49.775 7.633 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 15.792 -49.793 8.106 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 0.212 -52.180 18.809 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 0.429 -53.112 18.778 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 0.459 -51.906 19.693 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 0.396 -61.628 6.998 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 0.351 -60.689 7.177 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 -0.492 -61.864 6.728 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 13.709 -50.964 16.934 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 13.553 -50.286 16.277 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 14.641 -50.892 17.137 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 -0.577 -50.293 23.162 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 -0.037 -50.510 23.921 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 -1.058 -51.099 22.972 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 4.020 -51.374 24.782 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 4.788 -51.833 25.123 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 3.999 -51.600 23.852 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 10.597 -52.994 23.511 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 10.246 -53.850 23.754 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 11.323 -52.851 24.118 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 5.985 -56.513 23.549 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 5.657 -56.242 22.691 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 6.137 -57.454 23.461 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 9.023 -55.092 5.984 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 8.755 -54.912 6.885 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 8.817 -56.018 5.853 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 11.720 -56.597 20.932 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 12.465 -56.009 20.812 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 10.963 -56.015 20.995 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 4.820 -58.167 8.554 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 4.361 -58.651 9.240 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 5.075 -58.835 7.918 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 5.891 -59.924 6.817 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 5.711 -60.078 5.889 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 6.842 -59.816 6.861 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 9.129 -57.803 24.188 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 10.082 -57.719 24.160 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 8.969 -58.514 24.807 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 6.443 -59.110 19.725 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 7.194 -59.266 19.152 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 6.104 -58.258 19.449 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 16.425 -50.314 17.163 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 16.403 -50.129 18.102 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 17.115 -49.745 16.822 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 15.988 -50.747 20.085 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 15.501 -51.482 19.714 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 16.537 -51.140 20.763 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 15.740 -56.700 10.237 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 16.590 -56.279 10.365 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 15.745 -57.440 10.845 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 16.134 -58.647 12.061 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 15.408 -59.126 12.459 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 16.715 -58.441 12.793 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 15.893 -55.862 17.009 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 16.727 -56.240 16.728 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 16.005 -54.919 16.890 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 14.380 -52.984 19.316 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 13.732 -52.659 19.941 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 13.862 -53.424 18.641 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 16.402 -58.746 8.452 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 15.881 -58.389 7.733 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 16.369 -58.071 9.130 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 14.751 -61.506 7.003 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 14.848 -60.839 6.323 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 14.611 -62.322 6.521 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 13.921 -60.126 12.624 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 13.771 -61.071 12.604 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 13.567 -59.845 13.468 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 -1.044 -58.048 16.634 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 -0.860 -58.130 15.699 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 -0.195 -58.172 17.058 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 13.999 -64.098 6.120 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 14.609 -64.470 6.757 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 13.162 -64.520 6.316 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 13.631 -62.543 11.086 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 13.911 -63.450 11.211 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 14.390 -62.109 10.697 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 13.163 -50.224 12.735 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 13.816 -50.571 12.127 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 13.674 -49.735 13.381 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 0.548 -53.295 23.278 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 -0.273 -53.120 22.818 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 0.296 -53.368 24.199 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 3.502 -52.320 19.537 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 3.077 -51.511 19.254 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 4.407 -52.235 19.235 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 13.014 -49.128 19.030 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 12.832 -48.212 18.819 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 13.190 -49.538 18.183 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 15.143 -50.444 10.743 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 14.949 -51.192 10.178 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 15.104 -49.686 10.159 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 14.361 -51.693 22.893 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 13.579 -51.879 22.373 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 14.289 -50.764 23.110 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 11.209 -50.344 26.721 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 11.584 -51.088 26.250 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 11.213 -50.614 27.639 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 6.074 -53.729 24.875 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 6.313 -54.477 24.327 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 5.805 -54.117 25.707 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 8.112 -51.866 25.013 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 7.468 -52.497 25.335 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 8.874 -52.397 24.781 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 12.716 -52.049 25.247 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 12.999 -52.843 25.700 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 13.456 -51.816 24.686 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 9.023 -55.092 24.840 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 8.755 -54.912 25.741 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 8.817 -56.018 24.709 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 5.789 -49.233 26.674 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 6.722 -49.075 26.818 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 5.525 -48.558 26.049 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 8.434 -50.007 26.919 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 9.300 -49.641 26.741 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 8.187 -50.447 26.106 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 1.388 -50.297 25.547 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 1.120 -50.010 26.420 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 2.159 -50.843 25.699 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 9.911 -38.951 -24.789 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 10.000 -38.007 -24.921 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 9.272 -39.226 -25.447 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 12.550 -36.757 -23.068 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 12.109 -37.477 -22.618 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 12.537 -36.036 -22.438 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 -1.254 -41.971 -25.849 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 -1.702 -41.125 -25.867 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 -1.815 -42.551 -26.364 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 9.661 -31.652 -22.856 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 10.281 -32.329 -23.129 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 9.453 -31.870 -21.948 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 3.529 -44.768 -23.364 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 3.572 -43.908 -23.782 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 3.071 -45.320 -23.997 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 11.251 -44.637 -24.963 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 11.897 -44.966 -24.338 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 11.761 -44.119 -25.586 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 16.288 -44.184 -17.867 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 15.599 -43.526 -17.962 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 16.303 -44.381 -16.930 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 13.015 -45.346 -22.982 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 12.800 -46.112 -22.450 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 13.671 -44.874 -22.469 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 -0.563 -36.539 -27.433 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 -0.835 -36.310 -28.322 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 -0.518 -35.701 -26.973 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 13.062 -34.917 -20.720 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 12.120 -34.859 -20.559 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 13.338 -34.011 -20.857 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 13.362 -46.631 -19.303 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 12.626 -46.020 -19.341 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 14.046 -46.216 -19.829 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 6.365 -48.544 -21.837 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 6.248 -49.493 -21.891 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 5.510 -48.212 -21.564 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 11.314 -33.136 -24.095 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 11.739 -33.843 -24.580 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 11.631 -32.335 -24.512 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 14.159 -36.669 -17.109 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 14.299 -37.260 -17.848 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 14.327 -35.796 -17.465 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 8.632 -39.707 -27.337 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 7.920 -39.172 -27.688 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 9.323 -39.651 -27.997 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 16.001 -40.329 -19.043 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 15.349 -39.634 -18.954 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 16.466 -40.119 -19.853 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 11.935 -41.323 -17.317 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 12.015 -40.560 -16.745 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 11.334 -41.044 -18.008 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 3.683 -38.867 -24.502 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 3.353 -39.237 -25.321 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 4.271 -39.537 -24.156 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 5.050 -35.439 -21.821 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 4.955 -36.017 -22.578 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 5.779 -35.810 -21.325 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 8.635 -33.598 -25.265 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 9.109 -33.303 -24.487 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 8.072 -32.860 -25.498 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 2.673 -39.797 -26.913 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 2.381 -39.029 -27.404 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 1.999 -40.457 -27.076 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 16.714 -33.988 -15.532 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 16.665 -34.943 -15.569 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 15.888 -33.720 -15.130 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 1.761 -31.853 -25.069 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 1.913 -32.201 -24.190 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 0.910 -32.209 -25.324 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 13.866 -42.495 -15.052 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 13.459 -42.014 -15.772 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 13.907 -43.400 -15.359 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 3.634 -47.641 -21.059 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 2.773 -47.728 -21.467 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 3.612 -46.785 -20.632 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 11.623 -44.163 -16.831 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 11.109 -44.289 -16.034 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 11.468 -43.251 -17.076 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 3.722 -42.454 -25.052 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 2.829 -42.795 -25.111 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 4.173 -42.831 -25.808 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 9.258 -42.038 -26.235 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 8.849 -41.223 -26.527 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 9.978 -42.178 -26.850 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 10.262 -42.592 -23.421 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 10.067 -41.987 -24.136 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 10.444 -43.426 -23.856 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 -1.917 -45.239 -24.247 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 -1.286 -45.268 -23.527 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 -1.467 -45.664 -24.977 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 6.304 -45.027 -23.966 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 5.393 -44.970 -23.677 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 6.809 -45.087 -23.155 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 1.132 -43.398 -25.139 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 0.243 -43.298 -25.479 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 1.428 -44.240 -25.485 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 4.785 -43.398 -27.483 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 5.717 -43.269 -27.305 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 4.570 -42.728 -28.132 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 10.709 -45.792 -20.702 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 10.032 -45.661 -20.038 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 10.223 -45.947 -21.512 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 13.996 -30.120 -14.425 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 14.196 -29.696 -15.260 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 14.652 -29.777 -13.818 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 2.626 -46.103 -25.661 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 2.309 -47.005 -25.696 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 3.407 -46.101 -26.213 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 13.944 -38.505 -19.194 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 14.586 -38.048 -19.737 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 13.114 -38.392 -19.656 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 16.259 -36.947 -15.589 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 15.407 -36.709 -15.956 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 16.849 -36.964 -16.342 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 11.751 -39.153 -20.939 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 10.823 -39.385 -20.966 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 12.202 -39.930 -21.269 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 4.294 -34.825 -24.806 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 4.821 -34.052 -25.007 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 3.414 -34.600 -25.108 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 5.721 -37.162 -25.230 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 5.480 -36.237 -25.188 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 4.981 -37.621 -24.834 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 4.405 -32.140 -25.685 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 3.455 -32.035 -25.633 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 4.756 -31.320 -25.340 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 7.280 -44.008 -26.516 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 8.092 -43.504 -26.470 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 7.035 -44.153 -25.602 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 8.164 -46.927 -25.578 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 7.817 -46.309 -24.933 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 8.822 -46.426 -26.059 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 14.020 -45.115 -16.496 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 13.104 -44.852 -16.584 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 14.356 -45.118 -17.393 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 12.622 -41.364 -22.400 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 11.825 -41.779 -22.729 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 13.067 -42.055 -21.909 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 13.709 -32.108 -20.778 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 13.553 -31.430 -21.435 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 14.641 -32.036 -20.575 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 1.204 -47.990 -22.041 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 0.975 -47.931 -22.968 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 0.761 -48.782 -21.734 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 0.134 -34.050 -25.880 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 -0.698 -33.577 -25.853 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 0.680 -33.540 -26.479 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 12.175 -39.650 -14.881 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 11.894 -38.941 -15.459 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 13.118 -39.723 -15.032 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 5.667 -48.237 -17.795 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 5.569 -47.290 -17.901 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 4.924 -48.609 -18.271 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 9.647 -44.788 -15.156 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 8.699 -44.756 -15.024 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 9.959 -45.413 -14.502 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 5.889 -48.943 -15.124 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 6.601 -49.583 -15.138 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 5.788 -48.676 -16.038 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 -1.994 -30.348 -25.334 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 -2.641 -30.810 -25.867 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 -1.639 -31.020 -24.751 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 -1.124 -32.267 -23.529 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 -1.458 -33.148 -23.357 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 -0.902 -31.922 -22.665 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 15.988 -31.891 -17.627 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 15.501 -32.626 -17.998 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 16.537 -32.284 -16.949 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 14.439 -36.101 -12.989 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 13.573 -36.206 -12.595 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 14.815 -35.342 -12.542 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 15.893 -37.006 -20.703 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 16.727 -37.384 -20.984 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 16.005 -36.063 -20.822 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 14.380 -34.128 -18.396 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 13.732 -33.803 -17.771 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 13.862 -34.568 -19.071 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 14.777 -39.300 -15.449 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 15.360 -40.034 -15.258 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 15.341 -38.528 -15.403 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 16.274 -41.397 -14.765 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 15.411 -41.776 -14.930 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 16.878 -42.136 -14.839 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 14.243 -43.106 -21.190 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 15.176 -42.894 -21.224 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 14.008 -43.004 -20.267 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 14.272 -42.369 -18.414 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 13.429 -42.101 -18.048 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 14.715 -41.547 -18.625 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 -1.446 -43.921 -14.937 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 -0.527 -44.043 -14.701 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 -1.896 -44.671 -14.548 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 -0.225 -45.609 -22.046 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 0.220 -46.401 -21.744 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 0.241 -44.893 -21.615 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 -1.644 -47.614 -18.578 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 -2.309 -47.860 -17.935 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 -2.087 -46.992 -19.155 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 15.076 -48.190 -16.892 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 14.263 -47.865 -17.280 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 15.309 -48.950 -17.425 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 13.014 -30.272 -18.682 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 12.832 -29.356 -18.893 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 13.190 -30.682 -19.529 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 8.506 -46.741 -22.569 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 7.831 -47.370 -22.314 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 9.070 -47.225 -23.172 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 5.412 -48.180 -24.934 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 6.286 -47.792 -24.964 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 5.276 -48.395 -24.011 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 10.969 -48.150 -23.285 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 11.045 -48.055 -24.234 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 10.693 -49.058 -23.156 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 14.361 -32.837 -14.819 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 13.579 -33.023 -15.339 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 14.289 -31.908 -14.602 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 15.797 -34.219 -11.654 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 15.870 -33.280 -11.484 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 16.702 -34.524 -11.711 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 -1.917 -45.239 -5.391 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 -1.286 -45.268 -4.671 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 -1.467 -45.664 -6.121 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 16.487 -31.505 -11.083 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 17.230 -30.919 -11.223 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 15.792 -30.937 -10.750 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 1.388 -31.441 -12.165 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 1.120 -31.154 -11.292 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 2.159 -31.987 -12.013 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 13.362 -46.631 18.409 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 12.626 -46.020 18.371 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 14.046 -46.216 17.883 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 13.866 -42.495 22.660 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 13.459 -42.014 21.940 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 13.907 -43.400 22.353 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 16.259 -36.947 22.123 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 15.407 -36.709 21.756 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 16.849 -36.964 21.370 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 14.020 -45.115 21.216 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 13.104 -44.852 21.128 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 14.356 -45.118 20.319 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 11.281 -46.154 24.561 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 11.184 -47.106 24.555 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 10.959 -45.885 25.422 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 6.242 -47.260 24.642 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 6.111 -47.736 23.821 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 5.643 -46.516 24.586 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 16.274 -41.397 22.947 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 15.411 -41.776 22.782 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 16.878 -42.136 22.873 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 16.075 -46.280 23.001 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 15.158 -46.009 22.965 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 16.198 -46.815 22.217 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 15.076 -48.190 20.820 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 14.263 -47.865 20.432 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 15.309 -48.950 20.287 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 13.648 -48.634 15.255 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 14.252 -48.086 14.754 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 12.779 -48.314 15.015 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 15.375 -47.495 13.589 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 15.987 -48.009 13.062 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 15.758 -46.617 13.612 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 10.969 -48.150 14.427 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 11.045 -48.055 13.478 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 10.693 -49.058 14.556 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 11.185 -48.910 24.200 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 11.261 -49.336 25.054 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 12.078 -48.896 23.858 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 -1.254 -41.971 30.719 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 -1.702 -41.125 30.701 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 -1.815 -42.551 30.204 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 9.708 -36.350 30.822 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 9.412 -36.672 29.971 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 9.384 -35.450 30.864 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 -0.563 -36.539 29.135 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 -0.835 -36.310 28.246 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 -0.518 -35.701 29.595 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 8.632 -39.707 29.231 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 7.920 -39.172 28.880 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 9.323 -39.651 28.571 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 8.686 -41.249 26.270 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 9.387 -41.227 26.921 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 8.988 -41.877 25.614 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 12.038 -39.497 30.183 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 11.306 -39.269 30.756 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 12.485 -40.211 30.638 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 10.909 -40.335 27.868 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 11.488 -40.185 28.615 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 11.323 -39.864 27.145 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 2.673 -39.797 29.655 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 2.381 -39.029 29.164 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 1.999 -40.457 29.492 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 8.107 -30.642 29.718 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 8.032 -30.763 28.772 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 8.140 -29.692 29.837 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 11.209 -31.488 26.721 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 11.584 -32.232 26.250 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 11.213 -31.758 27.639 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 10.878 -31.562 29.470 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 9.943 -31.462 29.649 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 11.158 -32.271 30.048 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 7.959 -45.426 26.168 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 7.705 -45.407 27.091 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 7.702 -46.298 25.867 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 -0.642 -44.493 27.745 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 -0.168 -43.902 27.160 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 -1.360 -43.962 28.092 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 1.132 -43.398 31.429 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 0.243 -43.298 31.089 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 1.428 -44.240 31.083 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 4.785 -43.398 29.085 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 5.717 -43.269 29.263 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 4.570 -42.728 28.436 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 3.459 -42.203 26.652 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 2.917 -42.583 25.961 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 4.293 -42.009 26.223 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 6.794 -37.638 28.588 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 6.050 -38.145 28.265 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 6.660 -37.589 29.534 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 10.692 -44.824 26.787 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 9.754 -44.712 26.636 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 10.989 -43.967 27.093 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 11.410 -42.957 28.448 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 12.302 -43.094 28.767 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 11.467 -42.166 27.911 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 8.920 -36.179 27.613 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 8.625 -35.353 27.995 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 8.217 -36.799 27.809 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 14.591 -33.961 28.607 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 14.218 -34.787 28.917 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 14.868 -34.144 27.710 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 11.983 -35.985 26.428 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 12.336 -36.365 27.232 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 11.034 -36.078 26.514 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 16.487 -31.505 26.629 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 17.230 -30.919 26.489 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 15.792 -30.937 26.962 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 12.849 -37.312 28.654 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 12.572 -38.040 29.210 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 13.776 -37.193 28.860 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 5.011 -35.303 27.331 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 5.158 -35.823 28.121 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 5.008 -34.396 27.637 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 1.464 -38.050 27.841 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 0.778 -37.698 28.408 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 1.987 -37.287 27.595 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 7.749 -33.605 28.080 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 6.932 -33.108 28.133 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 8.278 -33.130 27.440 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 5.087 -32.562 28.062 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 5.248 -31.762 27.561 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 4.890 -32.255 28.947 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 3.821 -45.864 27.678 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 3.738 -44.975 28.024 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 4.711 -46.129 27.909 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 2.080 -35.436 26.738 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 2.672 -34.737 27.014 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 2.539 -35.869 26.019 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 0.134 -34.050 30.688 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 -0.698 -33.577 30.715 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 0.680 -33.540 30.089 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 4.820 -39.311 27.410 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 4.361 -39.795 28.096 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 5.075 -39.979 26.774 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 5.891 -41.068 25.673 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 5.711 -41.222 24.745 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 6.842 -40.960 25.717 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 15.281 -38.713 25.118 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 15.008 -39.138 24.305 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 15.321 -37.782 24.901 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 5.789 -30.377 26.674 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 6.722 -30.219 26.818 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 5.525 -29.702 26.049 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 -1.994 -30.348 31.234 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 -2.641 -30.810 30.701 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 -1.639 -31.020 31.817 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 15.740 -37.844 29.093 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 16.590 -37.423 29.221 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 15.745 -38.584 29.701 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 16.402 -39.890 27.308 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 15.881 -39.533 26.589 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 16.369 -39.215 27.986 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 14.751 -42.650 25.859 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 14.848 -41.983 25.179 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 14.611 -43.466 25.377 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 13.999 -45.242 24.976 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 14.609 -45.614 25.613 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 13.162 -45.664 25.172 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 -1.608 -46.352 29.646 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 -2.533 -46.143 29.516 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 -1.154 -45.868 28.956 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 -0.331 -48.309 27.624 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 0.108 -47.698 27.033 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 -0.965 -47.771 28.098 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 -0.430 -32.361 28.522 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 -1.115 -32.399 27.854 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 -0.427 -31.448 28.810 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 1.530 -46.393 26.067 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 2.021 -47.023 25.539 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 2.153 -46.097 26.730 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 6.556 -46.100 28.524 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 6.734 -46.746 29.207 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 6.502 -45.266 28.991 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 8.434 -31.151 26.919 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 9.300 -30.785 26.741 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 8.187 -31.591 26.106 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 15.143 -31.588 29.599 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 14.949 -32.336 29.034 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 15.104 -30.830 29.015 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 10.374 -24.013 -20.636 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 10.517 -24.960 -20.616 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 10.268 -23.806 -21.565 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 3.529 -25.912 -23.364 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 3.572 -25.052 -23.782 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 3.071 -26.464 -23.997 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 2.339 -26.994 -19.290 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 2.120 -26.464 -20.056 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 1.671 -26.767 -18.642 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 4.908 -19.318 -19.002 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 4.168 -18.720 -18.899 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 5.622 -18.764 -19.318 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 13.015 -26.490 -22.982 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 12.800 -27.256 -22.450 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 13.671 -26.018 -22.469 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 1.933 -25.102 -21.337 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 2.546 -24.469 -20.964 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 2.445 -25.574 -21.994 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 13.362 -27.775 -19.303 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 12.626 -27.164 -19.341 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 14.046 -27.360 -19.829 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 6.365 -29.688 -21.837 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 6.248 -30.637 -21.891 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 5.510 -29.356 -21.564 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 11.935 -22.467 -17.317 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 12.015 -21.704 -16.745 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 11.334 -22.188 -18.008 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 4.930 -16.843 -16.152 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 4.618 -16.061 -15.696 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 4.280 -16.996 -16.838 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 1.850 -20.645 -16.923 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 1.920 -19.994 -16.225 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 0.959 -20.542 -17.258 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 3.169 -14.771 -15.388 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 3.177 -14.907 -16.336 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 2.253 -14.889 -15.136 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 7.693 -15.558 -16.656 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 7.780 -14.732 -16.181 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 6.829 -15.888 -16.407 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 13.866 -23.639 -15.052 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 13.459 -23.158 -15.772 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 13.907 -24.544 -15.359 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 11.623 -25.307 -16.831 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 11.109 -25.433 -16.034 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 11.468 -24.395 -17.076 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 3.725 -23.819 -19.964 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 3.083 -23.860 -19.255 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 3.762 -22.893 -20.202 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 1.475 -23.499 -18.097 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 1.437 -23.099 -17.229 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 0.984 -24.316 -18.007 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 9.526 -22.098 -18.750 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 9.850 -22.729 -19.393 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 9.086 -22.633 -18.089 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 6.304 -26.171 -23.966 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 5.393 -26.114 -23.677 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 6.809 -26.231 -23.155 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 10.709 -26.936 -20.702 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 10.032 -26.805 -20.038 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 10.223 -27.091 -21.512 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 1.594 -18.790 -14.817 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 2.327 -18.536 -14.256 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 0.814 -18.586 -14.302 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 7.624 -23.383 -22.079 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 8.188 -23.930 -22.626 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 7.476 -23.905 -21.290 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 2.626 -27.247 -25.661 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 2.309 -28.149 -25.696 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 3.407 -27.245 -26.213 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 6.250 -24.995 -19.665 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 5.415 -24.541 -19.555 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 6.774 -24.719 -18.913 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 8.314 -18.598 -16.743 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 7.968 -18.979 -15.937 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 8.114 -17.664 -16.672 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 -1.073 -21.026 -16.896 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 -0.850 -21.444 -16.064 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 -1.675 -21.639 -17.318 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 0.561 -26.273 -17.338 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 -0.332 -25.934 -17.405 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 0.462 -27.128 -16.920 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 14.020 -26.259 -16.496 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 13.104 -25.996 -16.584 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 14.356 -26.262 -17.393 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 4.020 -13.662 -12.930 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 4.788 -14.121 -12.589 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 3.999 -13.888 -13.860 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 10.597 -15.282 -14.201 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 10.246 -16.138 -13.958 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 11.323 -15.139 -13.594 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 -0.670 -18.771 -13.596 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 -0.526 -19.673 -13.882 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 -1.443 -18.485 -14.084 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 0.162 -21.571 -14.176 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 0.570 -22.428 -14.297 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 -0.098 -21.556 -13.255 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 4.109 -22.562 -16.802 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 3.491 -21.887 -16.521 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 4.453 -22.241 -17.635 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 6.443 -21.398 -17.987 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 7.194 -21.554 -18.560 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 6.104 -20.546 -18.263 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 12.175 -20.794 -14.881 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 11.894 -20.085 -15.459 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 13.118 -20.867 -15.032 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 1.108 -26.088 -14.103 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 1.319 -26.795 -14.714 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 0.996 -26.526 -13.259 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 14.272 -23.513 -18.414 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 13.429 -23.245 -18.048 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 14.715 -22.691 -18.625 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 -1.446 -25.065 -14.937 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 -0.527 -25.187 -14.701 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 -1.896 -25.815 -14.548 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 16.555 -29.533 -13.060 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 16.905 -30.187 -13.666 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 16.702 -28.696 -13.500 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 -0.225 -26.753 -22.046 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 0.220 -27.545 -21.744 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 0.241 -26.037 -21.615 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 16.075 -27.424 -14.711 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 15.158 -27.153 -14.747 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 16.198 -27.959 -15.495 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 -1.644 -28.758 -18.578 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 -2.309 -29.004 -17.935 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 -2.087 -28.136 -19.155 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 0.548 -15.583 -14.434 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 -0.273 -15.408 -14.894 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 0.296 -15.656 -13.513 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 15.076 -29.334 -16.892 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 14.263 -29.009 -17.280 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 15.309 -30.094 -17.425 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 8.506 -27.885 -22.569 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 7.831 -28.514 -22.314 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 9.070 -28.369 -23.172 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 13.648 -29.778 -22.457 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 14.252 -29.230 -22.958 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 12.779 -29.458 -22.697 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 0.832 -29.251 -24.747 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 0.055 -29.485 -25.255 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 1.363 -30.048 -24.739 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 5.412 -29.324 -24.934 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 6.286 -28.936 -24.964 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 5.276 -29.539 -24.011 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 10.969 -29.294 -23.285 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 11.045 -29.199 -24.234 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 10.693 -30.202 -23.156 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 0.790 -28.737 -15.230 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 0.424 -29.502 -14.787 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 1.703 -28.708 -14.943 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 2.763 -29.386 -13.694 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 3.662 -29.660 -13.879 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 2.377 -30.129 -13.230 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 8.844 -20.840 -2.514 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 8.806 -21.486 -1.809 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 8.521 -21.306 -3.285 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 1.212 -21.225 -0.921 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 1.254 -21.851 -0.197 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 1.915 -20.602 -0.739 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 12.550 -17.901 -4.212 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 12.109 -18.621 -3.762 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 12.537 -17.180 -3.582 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 2.136 -16.775 -2.386 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 1.766 -17.577 -2.755 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 3.077 -16.944 -2.339 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 7.233 -18.407 -2.108 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 7.537 -19.093 -2.702 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 7.955 -18.289 -1.490 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 4.908 -19.318 -0.146 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 4.168 -18.720 -0.043 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 5.622 -18.764 -0.462 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 3.316 -17.354 0.641 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 3.310 -16.475 0.263 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 2.462 -17.437 1.066 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 13.062 -16.061 -1.864 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 12.120 -16.003 -1.703 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 13.338 -15.155 -2.001 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 11.314 -14.280 -5.239 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 11.739 -14.987 -5.724 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 11.631 -13.479 -5.656 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 12.473 -16.379 -6.730 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 12.216 -17.069 -7.342 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 12.544 -16.822 -5.885 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 16.001 -21.473 -0.187 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 15.349 -20.778 -0.098 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 16.466 -21.263 -0.997 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 5.050 -16.583 -2.965 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 4.955 -17.161 -3.722 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 5.779 -16.954 -2.469 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 10.359 -15.739 -1.279 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 10.118 -15.077 -0.631 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 10.161 -16.573 -0.854 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 4.930 -16.843 2.704 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 4.618 -16.061 3.160 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 4.280 -16.996 2.018 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 1.850 -20.645 1.933 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 1.920 -19.994 2.631 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 0.959 -20.542 1.598 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 8.635 -14.742 -6.409 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 9.109 -14.447 -5.631 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 8.072 -14.004 -6.642 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 3.169 -14.771 3.468 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 3.177 -14.907 2.520 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 2.253 -14.889 3.720 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 14.607 -29.729 -10.031 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 13.708 -29.590 -9.736 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 14.859 -28.898 -10.433 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 -1.234 -18.578 0.758 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 -1.735 -18.606 -0.057 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 -1.228 -19.484 1.068 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 -1.483 -15.798 -2.358 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 -0.537 -15.942 -2.377 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 -1.596 -15.014 -1.821 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 16.714 -15.132 3.324 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 16.665 -16.087 3.287 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 15.888 -14.864 3.726 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 7.693 -15.558 2.200 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 7.780 -14.732 2.675 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 6.829 -15.888 2.449 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 1.015 -17.255 1.801 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 1.232 -17.616 2.661 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 0.160 -17.629 1.591 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 12.386 -20.446 -12.214 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 12.428 -20.669 -13.144 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 13.235 -20.048 -12.024 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 1.475 -23.499 0.759 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 1.437 -23.099 1.627 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 0.984 -24.316 0.849 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 9.526 -22.098 0.106 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 9.850 -22.729 -0.537 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 9.086 -22.633 0.767 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 1.594 -18.790 4.039 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 2.327 -18.536 4.600 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 0.814 -18.586 4.554 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 13.944 -19.649 -0.338 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 14.586 -19.192 -0.881 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 13.114 -19.536 -0.800 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 -1.073 -21.026 1.960 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 -0.850 -21.444 2.792 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 -1.675 -21.639 1.538 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 10.564 -16.136 2.063 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 9.663 -15.953 1.795 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 10.598 -15.877 2.984 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 16.295 -23.891 -9.570 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 15.741 -24.287 -10.242 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 16.396 -22.981 -9.847 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 11.751 -20.297 -2.083 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 10.823 -20.529 -2.110 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 12.202 -21.074 -2.413 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 4.294 -15.969 -5.950 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 4.821 -15.196 -6.151 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 3.414 -15.744 -6.252 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 4.405 -13.284 -6.829 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 3.455 -13.179 -6.777 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 4.756 -12.464 -6.484 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 9.780 -18.058 -0.358 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 9.354 -18.285 0.468 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 10.361 -18.796 -0.541 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 11.983 -17.129 -11.284 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 12.336 -17.509 -10.480 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 11.034 -17.222 -11.198 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 12.439 -13.506 2.111 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 11.837 -14.061 1.616 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 12.720 -12.839 1.485 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 0.561 -26.273 1.518 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 -0.332 -25.934 1.451 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 0.462 -27.128 1.936 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 12.849 -18.456 -9.058 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 12.572 -19.184 -8.502 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 13.776 -18.337 -8.852 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 6.074 -16.017 -12.837 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 6.313 -16.765 -13.385 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 5.805 -16.405 -12.005 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 7.749 -14.749 -9.632 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 6.932 -14.252 -9.579 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 8.278 -14.274 -10.272 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 5.087 -13.706 -9.650 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 5.248 -12.906 -10.151 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 4.890 -13.399 -8.765 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 2.080 -16.580 -10.974 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 2.672 -15.881 -10.698 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 2.539 -17.013 -11.693 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 0.134 -15.194 -7.024 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 -0.698 -14.721 -6.997 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 0.680 -14.684 -7.623 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 4.020 -13.662 5.926 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 4.788 -14.121 6.267 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 3.999 -13.888 4.996 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 8.112 -14.154 -12.699 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 7.468 -14.785 -12.377 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 8.874 -14.685 -12.931 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 -0.670 -18.771 5.260 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 -0.526 -19.673 4.974 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 -1.443 -18.485 4.772 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 9.023 -17.380 -12.872 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 8.755 -17.200 -11.971 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 8.817 -18.306 -13.003 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 0.162 -21.571 4.680 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 0.570 -22.428 4.559 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 -0.098 -21.556 5.601 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 4.109 -22.562 2.054 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 3.491 -21.887 2.335 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 4.453 -22.241 1.221 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 15.281 -19.857 -12.594 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 15.008 -20.282 -13.407 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 15.321 -18.926 -12.811 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 6.443 -21.398 0.869 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 7.194 -21.554 0.296 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 6.104 -20.546 0.593 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 1.108 -26.088 4.753 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 1.319 -26.795 4.142 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 0.996 -26.526 5.597 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 -0.643 -16.885 -11.555 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 0.271 -16.806 -11.282 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 -0.636 -17.572 -12.222 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 -1.124 -13.411 -4.673 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 -1.458 -14.292 -4.501 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 -0.902 -13.066 -3.809 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 15.988 -13.035 1.229 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 15.501 -13.770 0.858 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 16.537 -13.428 1.907 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 15.740 -18.988 -8.619 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 16.590 -18.567 -8.491 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 15.745 -19.728 -8.011 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 16.134 -20.935 -6.795 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 15.408 -21.414 -6.397 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 16.715 -20.729 -6.063 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 15.893 -18.150 -1.847 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 16.727 -18.528 -2.128 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 16.005 -17.207 -1.966 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 14.380 -15.272 0.460 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 13.732 -14.947 1.085 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 13.862 -15.712 -0.215 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 16.402 -21.034 -10.404 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 15.881 -20.677 -11.123 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 16.369 -20.359 -9.726 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 14.751 -23.794 -11.853 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 14.848 -23.127 -12.533 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 14.611 -24.610 -12.335 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 13.999 -26.386 -12.736 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 14.609 -26.758 -12.099 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 13.162 -26.808 -12.540 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 -1.446 -25.065 3.919 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 -0.527 -25.187 4.155 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 -1.896 -25.815 4.308 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 16.111 -27.501 -11.193 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 16.524 -28.222 -11.669 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 16.793 -26.831 -11.135 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 -1.644 -28.758 0.278 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 -2.309 -29.004 0.921 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 -2.087 -28.136 -0.299 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 7.813 -13.209 3.640 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 7.998 -13.543 4.518 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 8.660 -12.900 3.318 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 10.158 -11.924 2.884 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 10.835 -12.556 2.644 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 10.480 -11.522 3.692 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 -0.430 -13.505 -9.190 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 -1.115 -13.543 -9.858 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 -0.427 -12.592 -8.902 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 8.434 -12.295 -10.793 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 9.300 -11.929 -10.971 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 8.187 -12.735 -11.606 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 14.361 -13.981 4.037 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 13.579 -14.167 3.517 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 14.289 -13.052 4.254 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 9.911 -20.095 12.923 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 10.000 -19.151 12.791 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 9.272 -20.370 12.265 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 8.844 -20.840 16.342 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 8.806 -21.486 17.047 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 8.521 -21.306 15.571 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 2.136 -16.775 16.470 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 1.766 -17.577 16.101 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 3.077 -16.944 16.517 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 -0.544 -20.953 13.989 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 -0.330 -21.723 14.516 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 0.194 -20.864 13.386 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 9.661 -12.796 14.856 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 10.281 -13.473 14.583 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 9.453 -13.014 15.764 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 7.233 -18.407 16.748 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 7.537 -19.093 16.154 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 7.955 -18.289 17.366 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 5.305 -21.965 14.326 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 5.921 -22.491 14.835 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 4.719 -22.605 13.922 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 16.288 -25.328 19.845 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 15.599 -24.670 19.750 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 16.303 -25.525 20.782 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 9.708 -17.494 11.966 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 9.412 -17.816 11.115 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 9.384 -16.594 12.008 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 -0.563 -17.683 10.279 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 -0.835 -17.454 9.390 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 -0.518 -16.845 10.739 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 12.473 -16.379 12.126 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 12.216 -17.069 11.514 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 12.544 -16.822 12.971 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 14.159 -17.813 20.603 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 14.299 -18.404 19.864 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 14.327 -16.940 20.247 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 16.001 -21.473 18.669 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 15.349 -20.778 18.758 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 16.466 -21.263 17.859 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 12.038 -20.641 11.327 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 11.306 -20.413 11.900 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 12.485 -21.355 11.782 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 11.935 -22.467 20.395 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 12.015 -21.704 20.967 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 11.334 -22.188 19.704 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 3.683 -20.011 13.210 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 3.353 -20.381 12.391 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 4.271 -20.681 13.556 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 5.050 -16.583 15.891 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 4.955 -17.161 15.134 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 5.779 -16.954 16.387 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 10.359 -15.739 17.577 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 10.118 -15.077 18.225 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 10.161 -16.573 18.002 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 8.635 -14.742 12.447 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 9.109 -14.447 13.225 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 8.072 -14.004 12.214 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 2.673 -20.941 10.799 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 2.381 -20.173 10.308 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 1.999 -21.601 10.636 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 15.797 -15.363 7.202 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 15.870 -14.424 7.372 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 16.702 -15.668 7.145 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 8.107 -11.786 10.862 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 8.032 -11.907 9.916 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 8.140 -10.836 10.981 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 11.209 -12.632 7.865 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 11.584 -13.376 7.394 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 11.213 -12.902 8.783 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 10.878 -12.706 10.614 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 9.943 -12.606 10.793 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 11.158 -13.415 11.192 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 13.866 -23.639 22.660 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 13.459 -23.158 21.940 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 13.907 -24.544 22.353 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 9.526 -22.098 18.962 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 9.850 -22.729 18.319 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 9.086 -22.633 19.623 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 7.624 -23.383 15.633 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 8.188 -23.930 15.086 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 7.476 -23.905 16.422 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 10.564 -16.136 20.919 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 9.663 -15.953 20.651 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 10.598 -15.877 21.840 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 14.591 -15.105 9.751 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 14.218 -15.931 10.061 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 14.868 -15.288 8.854 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 11.751 -20.297 16.773 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 10.823 -20.529 16.746 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 12.202 -21.074 16.443 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 4.294 -15.969 12.906 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 4.821 -15.196 12.705 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 3.414 -15.744 12.604 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 0.049 -21.107 7.493 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 0.665 -20.480 7.872 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 -0.813 -20.791 7.764 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 5.721 -18.306 12.482 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 5.480 -17.381 12.524 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 4.981 -18.765 12.878 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 9.780 -18.058 18.498 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 9.354 -18.285 19.324 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 10.361 -18.796 18.315 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 12.439 -13.506 20.967 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 11.837 -14.061 20.472 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 12.720 -12.839 20.341 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 16.487 -12.649 7.773 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 17.230 -12.063 7.633 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 15.792 -12.081 8.106 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 12.849 -18.456 9.798 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 12.572 -19.184 10.354 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 13.776 -18.337 10.004 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 6.074 -16.017 6.019 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 6.313 -16.765 5.471 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 5.805 -16.405 6.851 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 5.011 -16.447 8.475 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 5.158 -16.967 9.265 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 5.008 -15.540 8.781 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 1.464 -19.194 8.985 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 0.778 -18.842 9.552 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 1.987 -18.431 8.739 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 7.749 -14.749 9.224 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 6.932 -14.252 9.277 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 8.278 -14.274 8.584 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 5.087 -13.706 9.206 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 5.248 -12.906 8.705 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 4.890 -13.399 10.091 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 14.020 -26.259 21.216 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 13.104 -25.996 21.128 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 14.356 -26.262 20.319 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 12.622 -22.508 15.312 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 11.825 -22.923 14.983 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 13.067 -23.199 15.803 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 2.080 -16.580 7.882 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 2.672 -15.881 8.158 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 2.539 -17.013 7.163 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 0.396 -23.916 6.998 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 0.351 -22.977 7.177 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 -0.492 -24.152 6.728 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 8.112 -14.154 6.157 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 7.468 -14.785 6.479 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 8.874 -14.685 5.925 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 10.597 -15.282 23.511 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 10.246 -16.138 23.754 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 11.323 -15.139 24.118 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 12.716 -14.337 6.391 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 12.999 -15.131 6.844 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 13.456 -14.104 5.830 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 3.671 -18.427 6.248 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 3.735 -19.221 6.779 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 4.324 -18.546 5.559 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 11.720 -18.885 20.932 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 12.465 -18.297 20.812 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 10.963 -18.303 20.995 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 12.175 -20.794 22.831 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 11.894 -20.085 22.253 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 13.118 -20.867 22.680 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 6.242 -28.404 24.642 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 6.111 -28.880 23.821 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 5.643 -27.660 24.586 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 5.789 -11.521 7.818 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 6.722 -11.363 7.962 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 5.525 -10.846 7.193 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 -1.994 -11.492 12.378 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 -2.641 -11.954 11.845 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 -1.639 -12.164 12.961 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 -1.124 -13.411 14.183 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 -1.458 -14.292 14.355 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 -0.902 -13.066 15.047 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 15.740 -18.988 10.237 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 16.590 -18.567 10.365 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 15.745 -19.728 10.845 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 16.134 -20.935 12.061 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 15.408 -21.414 12.459 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 16.715 -20.729 12.793 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 13.921 -22.414 12.624 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 13.771 -23.359 12.604 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 13.567 -22.133 13.468 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 14.777 -20.444 22.263 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 15.360 -21.178 22.454 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 15.341 -19.672 22.309 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 16.274 -22.541 22.947 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 15.411 -22.920 22.782 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 16.878 -23.280 22.873 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 13.631 -24.831 11.086 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 13.911 -25.738 11.211 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 14.390 -24.397 10.697 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 14.243 -24.250 16.522 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 15.176 -24.038 16.488 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 14.008 -24.148 17.445 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 14.272 -23.513 19.298 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 13.429 -23.245 19.664 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 14.715 -22.691 19.087 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 16.555 -29.533 24.652 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 16.905 -30.187 24.046 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 16.702 -28.696 24.212 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 16.075 -27.424 23.001 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 15.158 -27.153 22.965 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 16.198 -27.959 22.217 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 7.813 -13.209 22.496 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 7.998 -13.543 23.374 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 8.660 -12.900 22.174 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 10.158 -11.924 21.740 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 10.835 -12.556 21.500 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 10.480 -11.522 22.548 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 3.371 -11.752 18.614 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 2.506 -11.680 19.018 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 3.316 -11.205 17.830 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 8.082 -11.864 17.790 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 7.625 -11.335 17.136 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 8.245 -11.261 18.515 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 10.409 -12.986 18.735 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 9.505 -12.821 18.469 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 10.838 -12.133 18.669 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 0.319 -12.729 16.495 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 0.300 -13.154 17.352 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 1.124 -13.047 16.086 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 2.460 -14.019 15.150 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 2.241 -14.935 15.319 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 3.284 -13.879 15.616 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 4.997 -13.549 15.998 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 5.210 -14.437 15.711 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 5.062 -13.583 16.953 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 8.434 -12.295 8.063 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 9.300 -11.929 7.885 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 8.187 -12.735 7.250 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 -1.254 -23.115 30.719 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 -1.702 -22.269 30.701 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 -1.815 -23.695 30.204 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 -0.544 -20.953 32.845 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 -0.330 -21.723 33.372 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 0.194 -20.864 32.242 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 9.661 -12.796 33.712 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 10.281 -13.473 33.439 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 9.453 -13.014 34.620 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 -0.563 -17.683 29.135 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 -0.835 -17.454 28.246 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 -0.518 -16.845 29.595 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 11.314 -14.280 32.473 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 11.739 -14.987 31.988 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 11.631 -13.479 32.056 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 8.632 -20.851 29.231 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 7.920 -20.316 28.880 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 9.323 -20.795 28.571 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 8.686 -22.393 26.270 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 9.387 -22.371 26.921 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 8.988 -23.021 25.614 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 3.683 -20.011 32.066 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 3.353 -20.381 31.247 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 4.271 -20.681 32.412 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 10.909 -21.479 27.868 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 11.488 -21.329 28.615 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 11.323 -21.008 27.145 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 8.635 -14.742 31.303 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 9.109 -14.447 32.081 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 8.072 -14.004 31.070 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 14.607 -29.729 27.681 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 13.708 -29.590 27.976 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 14.859 -28.898 27.279 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 2.673 -20.941 29.655 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 2.381 -20.173 29.164 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 1.999 -21.601 29.492 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 1.761 -12.997 31.499 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 1.913 -13.345 32.378 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 0.910 -13.353 31.244 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 11.209 -12.632 26.721 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 11.584 -13.376 26.250 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 11.213 -12.902 27.639 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 10.878 -12.706 29.470 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 9.943 -12.606 29.649 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 11.158 -13.415 30.048 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 12.386 -20.446 25.498 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 12.428 -20.669 24.568 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 13.235 -20.048 25.688 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 7.959 -26.570 26.168 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 7.705 -26.551 27.091 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 7.702 -27.442 25.867 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 3.722 -23.598 31.516 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 2.829 -23.939 31.457 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 4.173 -23.975 30.760 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 9.258 -23.182 30.333 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 8.849 -22.367 30.041 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 9.978 -23.322 29.718 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 -0.642 -25.637 27.745 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 -0.168 -25.046 27.160 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 -1.360 -25.106 28.092 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 1.132 -24.542 31.429 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 0.243 -24.442 31.089 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 1.428 -25.384 31.083 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 4.785 -24.542 29.085 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 5.717 -24.413 29.263 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 4.570 -23.872 28.436 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 3.459 -23.347 26.652 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 2.917 -23.727 25.961 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 4.293 -23.153 26.223 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 2.626 -27.247 30.907 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 2.309 -28.149 30.872 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 3.407 -27.245 30.355 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 6.794 -18.782 28.588 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 6.050 -19.289 28.265 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 6.660 -18.733 29.534 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 10.692 -25.968 26.787 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 9.754 -25.856 26.636 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 10.989 -25.111 27.093 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 11.410 -24.101 28.448 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 12.302 -24.238 28.767 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 11.467 -23.310 27.911 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 8.920 -17.323 27.613 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 8.625 -16.497 27.995 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 8.217 -17.943 27.809 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 4.294 -15.969 31.762 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 4.821 -15.196 31.561 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 3.414 -15.744 31.460 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 5.721 -18.306 31.338 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 5.480 -17.381 31.380 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 4.981 -18.765 31.734 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 11.983 -17.129 26.428 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 12.336 -17.509 27.232 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 11.034 -17.222 26.514 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 10.080 -26.880 29.217 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 10.300 -26.408 28.414 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 10.638 -26.485 29.888 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 7.749 -14.749 28.080 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 6.932 -14.252 28.133 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 8.278 -14.274 27.440 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 7.280 -25.152 30.052 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 8.092 -24.648 30.098 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 7.035 -25.297 30.966 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 0.134 -15.194 30.688 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 -0.698 -14.721 30.715 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 0.680 -14.684 30.089 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 8.112 -14.154 25.013 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 7.468 -14.785 25.335 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 8.874 -14.685 24.781 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 9.023 -17.380 24.840 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 8.755 -17.200 25.741 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 8.817 -18.306 24.709 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 -1.994 -11.492 31.234 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 -2.641 -11.954 30.701 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 -1.639 -12.164 31.817 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 -1.124 -13.411 33.039 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 -1.458 -14.292 33.211 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 -0.902 -13.066 33.903 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 14.751 -23.794 25.859 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 14.848 -23.127 25.179 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 14.611 -24.610 25.377 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 13.999 -26.386 24.976 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 14.609 -26.758 25.613 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 13.162 -26.808 25.172 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 16.111 -27.501 26.519 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 16.524 -28.222 26.043 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 16.793 -26.831 26.577 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 -1.608 -27.496 29.646 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 -2.533 -27.287 29.516 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 -1.154 -27.012 28.956 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 13.163 -12.512 31.591 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 13.816 -12.859 30.983 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 13.674 -12.023 32.237 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 3.371 -11.752 37.470 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 2.506 -11.680 37.874 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 3.316 -11.205 36.686 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 8.082 -11.864 36.646 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 7.625 -11.335 35.992 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 8.245 -11.261 37.371 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 2.460 -14.019 34.006 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 2.241 -14.935 34.175 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 3.284 -13.879 34.472 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 4.997 -13.549 34.854 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 5.210 -14.437 34.567 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 5.062 -13.583 35.809 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 0.832 -29.251 31.821 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 0.055 -29.485 31.313 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 1.363 -30.048 31.829 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 -0.331 -29.453 27.624 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 0.108 -28.842 27.033 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 -0.965 -28.915 28.098 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 5.412 -29.324 31.634 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 6.286 -28.936 31.604 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 5.276 -29.539 32.557 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 12.322 -29.268 28.976 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 11.619 -28.654 28.766 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 11.877 -30.106 29.107 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 6.556 -27.244 28.524 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 6.734 -27.890 29.207 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 6.502 -26.410 28.991 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 11.185 -11.198 5.344 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 11.261 -11.624 6.198 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 12.078 -11.184 5.002 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 2.339 -8.138 18.422 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 2.120 -7.608 17.656 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 1.671 -7.911 19.070 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 6.365 -10.832 15.875 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 6.248 -11.781 15.821 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 5.510 -10.500 16.148 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 3.634 -9.929 16.653 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 2.773 -10.016 16.245 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 3.612 -9.073 17.080 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 8.297 -10.207 20.027 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 8.717 -10.622 20.780 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 7.364 -10.385 20.144 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 8.360 -4.151 22.965 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 7.797 -4.855 23.285 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 9.186 -4.271 23.432 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 5.944 -2.653 23.029 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 5.648 -2.819 22.134 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 6.875 -2.873 23.019 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 0.561 -7.417 20.374 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 -0.332 -7.078 20.307 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 0.462 -8.272 20.792 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 1.204 -10.278 15.671 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 0.975 -10.219 14.744 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 0.761 -11.070 15.978 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 4.449 -6.351 21.993 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 4.599 -7.080 21.390 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 4.451 -5.574 21.434 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 4.861 -7.981 19.485 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 5.397 -7.530 18.833 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 4.009 -8.089 19.063 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 10.859 -4.727 24.753 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 11.051 -5.658 24.642 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 11.716 -4.302 24.743 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 2.927 -5.153 23.904 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 2.160 -5.685 23.694 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 3.606 -5.463 23.305 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 5.667 -10.525 19.917 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 5.569 -9.578 19.811 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 4.924 -10.897 19.441 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 6.931 -6.203 23.480 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 6.695 -6.423 24.382 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 6.148 -6.410 22.971 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 9.647 -7.076 22.556 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 8.699 -7.044 22.688 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 9.959 -7.701 23.210 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 11.281 -8.442 24.561 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 11.184 -9.394 24.555 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 10.959 -8.173 25.422 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 1.108 -7.232 23.609 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 1.319 -7.939 22.998 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 0.996 -7.670 24.453 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 -1.446 -6.209 22.775 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 -0.527 -6.331 23.011 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 -1.896 -6.959 23.164 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 -0.225 -7.897 15.666 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 0.220 -8.689 15.968 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 0.241 -7.181 16.097 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 0.790 -9.881 22.482 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 0.424 -10.646 22.925 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 1.703 -9.852 22.769 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 11.185 -11.198 24.200 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 11.261 -11.624 25.054 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 12.078 -11.184 23.858 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 3.529 -7.056 33.204 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 3.572 -6.196 32.786 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 3.071 -7.608 32.571 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 11.251 -6.925 31.605 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 11.897 -7.254 32.230 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 11.761 -6.407 30.982 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 5.305 -3.109 33.182 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 5.921 -3.635 33.691 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 4.719 -3.749 32.778 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 2.339 -8.138 37.278 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 2.120 -7.608 36.512 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 1.671 -7.911 37.926 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 1.933 -6.246 35.231 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 2.546 -5.613 35.604 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 2.445 -6.718 34.574 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 6.365 -10.832 34.731 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 6.248 -11.781 34.677 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 5.510 -10.500 35.004 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 8.632 -1.995 29.231 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 7.920 -1.460 28.880 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 9.323 -1.939 28.571 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 8.686 -3.537 26.270 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 9.387 -3.515 26.921 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 8.988 -4.165 25.614 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 10.909 -2.623 27.868 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 11.488 -2.473 28.615 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 11.323 -2.152 27.145 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 2.673 -2.085 29.655 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 2.381 -1.317 29.164 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 1.999 -2.745 29.492 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 3.634 -9.929 35.509 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 2.773 -10.016 35.101 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 3.612 -9.073 35.936 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 3.722 -4.742 31.516 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 2.829 -5.083 31.457 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 4.173 -5.119 30.760 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 9.258 -4.326 30.333 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 8.849 -3.511 30.041 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 9.978 -4.466 29.718 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 10.262 -4.880 33.147 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 10.067 -4.275 32.432 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 10.444 -5.714 32.712 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 -0.642 -6.781 27.745 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 -0.168 -6.190 27.160 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 -1.360 -6.250 28.092 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 1.132 -5.686 31.429 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 0.243 -5.586 31.089 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 1.428 -6.528 31.083 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 10.709 -8.080 35.866 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 10.032 -7.949 36.530 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 10.223 -8.235 35.056 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 3.459 -4.491 26.652 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 2.917 -4.871 25.961 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 4.293 -4.297 26.223 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 7.624 -4.527 34.489 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 8.188 -5.074 33.942 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 7.476 -5.049 35.278 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 6.250 -6.139 36.903 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 5.415 -5.685 37.013 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 6.774 -5.863 37.655 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 10.692 -7.112 26.787 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 9.754 -7.000 26.636 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 10.989 -6.255 27.093 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 11.410 -5.245 28.448 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 12.302 -5.382 28.767 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 11.467 -4.454 27.911 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 10.080 -8.024 29.217 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 10.300 -7.552 28.414 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 10.638 -7.629 29.888 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 0.396 -5.060 25.854 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 0.351 -4.121 26.033 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 -0.492 -5.296 25.584 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 1.204 -10.278 34.527 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 0.975 -10.219 33.600 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 0.761 -11.070 34.834 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 4.820 -1.599 27.410 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 4.361 -2.083 28.096 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 5.075 -2.267 26.774 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 5.891 -3.356 25.673 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 5.711 -3.510 24.745 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 6.842 -3.248 25.717 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 -0.225 -7.897 34.522 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 0.220 -8.689 34.824 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 0.241 -7.181 34.953 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 -1.608 -8.640 29.646 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 -2.533 -8.431 29.516 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 -1.154 -8.156 28.956 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 8.506 -9.029 33.999 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 7.831 -9.658 34.254 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 9.070 -9.513 33.396 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 0.832 -10.395 31.821 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 0.055 -10.629 31.313 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 1.363 -11.192 31.829 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 -0.331 -10.597 27.624 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 0.108 -9.986 27.033 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 -0.965 -10.059 28.098 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 10.969 -10.438 33.283 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 11.045 -10.343 32.334 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 10.693 -11.346 33.412 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 12.322 -10.412 28.976 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 11.619 -9.798 28.766 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 11.877 -11.250 29.107 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 18.279 -50.293 -14.550 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 18.819 -50.510 -13.791 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 17.798 -51.099 -14.740 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 20.068 -58.937 -0.921 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 20.110 -59.563 -0.197 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 20.771 -58.314 -0.739 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 20.992 -54.487 -2.386 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 20.622 -55.289 -2.755 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 21.933 -54.656 -2.339 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 18.312 -58.665 -4.867 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 18.526 -59.435 -4.340 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 19.050 -58.576 -5.470 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 19.005 -61.227 -3.746 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 19.659 -61.777 -3.314 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 19.029 -61.501 -4.662 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 23.764 -57.030 -0.146 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 23.024 -56.432 -0.043 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 24.478 -56.476 -0.462 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 22.172 -55.066 0.641 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 22.166 -54.187 0.263 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 21.318 -55.149 1.066 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 18.293 -55.395 -8.577 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 18.021 -55.166 -9.466 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 18.338 -54.557 -8.117 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 23.906 -54.295 -2.965 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 23.811 -54.873 -3.722 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 24.635 -54.666 -2.469 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 22.906 -58.954 -2.013 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 23.471 -58.833 -2.776 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 23.225 -58.317 -1.374 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 23.786 -54.555 2.704 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 23.474 -53.773 3.160 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 23.136 -54.708 2.018 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 20.706 -58.357 1.933 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 20.776 -57.706 2.631 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 19.815 -58.254 1.598 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 22.025 -52.483 3.468 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 22.033 -52.619 2.520 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 21.109 -52.601 3.720 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 20.331 -61.211 0.759 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 20.293 -60.811 1.627 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 19.840 -62.028 0.849 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 20.450 -56.502 4.039 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 21.183 -56.248 4.600 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 19.670 -56.298 4.554 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 20.775 -57.199 -3.355 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 21.520 -57.201 -3.956 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 20.853 -58.023 -2.873 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 17.783 -58.738 1.960 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 18.006 -59.156 2.792 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 17.181 -59.351 1.538 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 23.150 -53.681 -5.950 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 23.677 -52.908 -6.151 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 22.270 -53.456 -6.252 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 25.092 -51.869 -0.059 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 25.455 -51.014 -0.292 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 25.624 -52.161 0.682 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 23.261 -50.996 -6.829 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 22.311 -50.891 -6.777 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 23.612 -50.176 -6.484 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 18.990 -52.906 -7.024 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 18.158 -52.433 -6.997 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 19.536 -52.396 -7.623 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 22.876 -51.374 5.926 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 23.644 -51.833 6.267 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 22.855 -51.600 4.996 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 18.186 -56.483 5.260 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 18.330 -57.385 4.974 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 17.413 -56.197 4.772 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 19.018 -59.283 4.680 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 19.426 -60.140 4.559 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 18.758 -59.268 5.601 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 17.410 -62.777 3.919 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 18.329 -62.899 4.155 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 16.960 -63.527 4.308 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 16.935 -61.466 -2.121 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 17.427 -61.687 -2.911 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 17.297 -60.625 -1.840 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 22.358 -52.320 0.681 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 21.933 -51.511 0.398 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 23.263 -52.235 0.379 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 26.938 -49.576 -1.066 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 26.481 -49.047 -1.720 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 27.101 -48.973 -0.341 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 23.853 -51.261 -2.858 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 24.066 -52.149 -3.145 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 23.918 -51.295 -1.903 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 18.426 -51.217 -9.190 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 17.741 -51.255 -9.858 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 18.429 -50.304 -8.902 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 20.244 -50.297 -12.165 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 19.976 -50.010 -11.292 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 21.015 -50.843 -12.013 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 18.293 -55.395 10.279 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 18.021 -55.166 9.390 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 18.338 -54.557 10.739 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 18.905 -58.819 7.493 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 19.521 -58.192 7.872 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 18.043 -58.503 7.764 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 20.320 -56.906 8.985 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 19.634 -56.554 9.552 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 20.843 -56.143 8.739 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 20.936 -54.292 7.882 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 21.528 -53.593 8.158 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 21.395 -54.725 7.163 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 19.252 -61.628 6.998 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 19.207 -60.689 7.177 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 18.364 -61.864 6.728 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 18.213 -54.597 7.301 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 19.127 -54.518 7.574 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 18.220 -55.284 6.634 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 16.862 -49.204 12.378 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 16.215 -49.666 11.845 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 17.217 -49.876 12.961 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 18.426 -51.217 9.666 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 17.741 -51.255 8.998 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 18.429 -50.304 9.954 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 20.244 -50.297 6.691 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 19.976 -50.010 7.564 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 21.015 -50.843 6.843 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 19.417 -45.129 -17.338 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 18.524 -44.790 -17.405 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 19.318 -45.984 -16.920 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 18.186 -37.627 -13.596 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 18.330 -38.529 -13.882 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 17.413 -37.341 -14.084 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 19.018 -40.427 -14.176 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 19.426 -41.284 -14.297 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 18.758 -40.412 -13.255 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 19.964 -44.944 -14.103 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 20.175 -45.651 -14.714 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 19.852 -45.382 -13.259 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 17.410 -43.921 -14.937 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 18.329 -44.043 -14.701 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 16.960 -44.671 -14.548 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 17.212 -47.614 -18.578 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 16.547 -47.860 -17.935 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 16.769 -46.992 -19.155 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 19.646 -47.593 -15.230 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 19.280 -48.358 -14.787 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 20.559 -47.564 -14.943 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 21.619 -48.242 -13.694 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 22.518 -48.516 -13.879 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 21.233 -48.985 -13.230 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 20.068 -40.081 -0.921 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 20.110 -40.707 -0.197 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 20.771 -39.458 -0.739 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 20.992 -35.631 -2.386 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 20.622 -36.433 -2.755 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 21.933 -35.800 -2.339 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 26.089 -37.263 -2.108 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 26.393 -37.949 -2.702 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 26.811 -37.145 -1.490 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 24.161 -40.821 -4.530 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 24.777 -41.347 -4.021 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 23.575 -41.461 -4.934 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 23.764 -38.174 -0.146 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 23.024 -37.576 -0.043 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 24.478 -37.620 -0.462 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 18.293 -36.539 -8.577 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 18.021 -36.310 -9.466 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 18.338 -35.701 -8.117 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 25.221 -48.544 -2.981 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 25.104 -49.493 -3.035 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 24.366 -48.212 -2.708 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 22.539 -38.867 -5.646 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 22.209 -39.237 -6.465 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 23.127 -39.537 -5.300 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 23.906 -35.439 -2.965 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 23.811 -36.017 -3.722 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 24.635 -35.810 -2.469 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 22.906 -40.098 -2.013 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 23.471 -39.977 -2.776 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 23.225 -39.461 -1.374 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 20.706 -39.501 1.933 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 20.776 -38.850 2.631 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 19.815 -39.398 1.598 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 21.529 -39.797 -8.057 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 21.237 -39.029 -8.548 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 20.855 -40.457 -8.220 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 26.549 -34.414 2.200 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 26.636 -33.588 2.675 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 25.685 -34.744 2.449 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 20.617 -31.853 -6.213 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 20.769 -32.201 -5.334 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 19.766 -32.209 -6.468 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 27.153 -47.919 1.171 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 27.573 -48.334 1.924 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 26.220 -48.097 1.288 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 22.581 -42.675 -1.108 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 21.939 -42.716 -0.399 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 22.618 -41.749 -1.346 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 22.578 -42.454 -6.196 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 21.685 -42.795 -6.255 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 23.029 -42.831 -6.952 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 25.160 -45.027 -5.110 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 24.249 -44.970 -4.821 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 25.665 -45.087 -4.299 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 23.641 -43.398 -8.627 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 24.573 -43.269 -8.449 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 23.426 -42.728 -9.276 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 22.315 -42.203 -11.060 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 21.773 -42.583 -11.751 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 23.149 -42.009 -11.489 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 21.482 -46.103 -6.805 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 21.165 -47.005 -6.840 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 22.263 -46.101 -7.357 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 25.106 -43.851 -0.809 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 24.271 -43.397 -0.699 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 25.630 -43.575 -0.057 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 27.170 -37.454 2.113 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 26.824 -37.835 2.919 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 26.970 -36.520 2.184 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 20.775 -38.343 -3.355 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 21.520 -38.345 -3.956 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 20.853 -39.167 -2.873 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 24.800 -40.365 4.173 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 24.504 -40.531 3.278 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 25.731 -40.585 4.163 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 29.420 -34.992 2.063 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 28.519 -34.809 1.795 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 29.454 -34.733 2.984 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 23.150 -34.825 -5.950 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 23.677 -34.052 -6.151 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 22.270 -34.600 -6.252 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 18.905 -39.963 -11.363 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 19.521 -39.336 -10.984 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 18.043 -39.647 -11.092 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 23.261 -32.140 -6.829 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 22.311 -32.035 -6.777 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 23.612 -31.320 -6.484 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 20.320 -38.050 -9.871 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 19.634 -37.698 -9.304 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 20.843 -37.287 -10.117 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 26.672 -43.022 1.525 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 26.791 -42.448 2.282 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 27.327 -43.710 1.640 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 22.677 -45.864 -10.034 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 22.594 -44.975 -9.688 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 23.567 -46.129 -9.803 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 19.252 -42.772 -11.858 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 19.207 -41.833 -11.679 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 18.364 -43.008 -12.128 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 18.990 -34.050 -7.024 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 18.158 -33.577 -6.997 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 19.536 -33.540 -7.623 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 29.453 -34.138 4.655 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 29.102 -34.994 4.898 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 30.179 -33.995 5.262 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 24.841 -37.657 4.693 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 24.513 -37.386 3.835 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 24.993 -38.598 4.605 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 22.965 -41.418 2.054 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 22.347 -40.743 2.335 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 23.309 -41.097 1.221 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 23.305 -44.063 3.137 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 23.455 -44.792 2.534 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 23.307 -43.286 2.578 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 23.717 -45.693 0.629 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 24.253 -45.242 -0.023 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 22.865 -45.801 0.207 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 25.299 -40.254 0.869 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 26.050 -40.410 0.296 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 24.960 -39.402 0.593 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 21.783 -42.865 5.048 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 21.016 -43.397 4.838 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 22.462 -43.175 4.449 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 24.523 -48.237 1.061 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 24.425 -47.290 0.955 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 23.780 -48.609 0.585 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 25.787 -43.915 4.624 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 25.551 -44.135 5.526 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 25.004 -44.122 4.115 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 19.964 -44.944 4.753 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 20.175 -45.651 4.142 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 19.852 -45.382 5.597 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 24.745 -48.943 3.732 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 25.457 -49.583 3.718 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 24.644 -48.676 2.818 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 25.098 -47.260 5.786 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 24.967 -47.736 4.965 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 24.499 -46.516 5.730 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 18.213 -35.741 -11.555 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 19.127 -35.662 -11.282 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 18.220 -36.428 -12.222 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 16.862 -30.348 -6.478 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 16.215 -30.810 -7.011 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 17.217 -31.020 -5.895 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 26.669 -32.065 3.640 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 26.854 -32.399 4.518 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 27.516 -31.756 3.318 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 29.014 -30.780 2.884 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 29.691 -31.412 2.644 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 29.336 -30.378 3.692 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 26.938 -30.720 -1.066 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 26.481 -30.191 -1.720 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 27.101 -30.117 -0.341 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 29.265 -31.842 -0.121 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 28.361 -31.677 -0.387 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 29.694 -30.989 -0.187 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 18.525 -48.309 -10.088 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 18.964 -47.698 -10.679 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 17.891 -47.771 -9.614 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 24.268 -48.180 -6.078 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 25.142 -47.792 -6.108 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 24.132 -48.395 -5.155 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 18.426 -32.361 -9.190 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 17.741 -32.399 -9.858 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 18.429 -31.448 -8.902 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 20.386 -46.393 -11.645 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 20.877 -47.023 -12.173 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 21.009 -46.097 -10.982 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 21.619 -48.242 5.162 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 22.518 -48.516 4.977 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 21.233 -48.985 5.626 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 26.089 -37.263 16.748 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 26.393 -37.949 16.154 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 26.811 -37.145 17.366 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 22.385 -44.768 14.348 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 22.428 -43.908 13.930 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 21.927 -45.320 13.715 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 24.161 -40.821 14.326 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 24.777 -41.347 14.835 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 23.575 -41.461 13.922 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 21.195 -45.850 18.422 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 20.976 -45.320 17.656 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 20.527 -45.623 19.070 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 23.764 -38.174 18.710 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 23.024 -37.576 18.813 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 24.478 -37.620 18.394 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 22.172 -36.210 19.497 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 22.166 -35.331 19.119 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 21.318 -36.293 19.922 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 22.539 -38.867 13.210 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 22.209 -39.237 12.391 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 23.127 -39.537 13.556 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 23.906 -35.439 15.891 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 23.811 -36.017 15.134 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 24.635 -35.810 16.387 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 22.906 -40.098 16.843 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 23.471 -39.977 16.080 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 23.225 -39.461 17.482 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 20.706 -39.501 20.789 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 20.776 -38.850 21.487 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 19.815 -39.398 20.454 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 27.491 -33.598 12.447 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 27.965 -33.303 13.225 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 26.928 -32.860 12.214 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 22.025 -33.627 22.324 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 22.033 -33.763 21.376 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 21.109 -33.745 22.576 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 21.529 -39.797 10.799 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 21.237 -39.029 10.308 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 20.855 -40.457 10.636 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 17.622 -37.434 19.614 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 17.121 -37.462 18.799 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 17.628 -38.340 19.924 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 26.963 -30.642 10.862 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 26.888 -30.763 9.916 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 26.996 -29.692 10.981 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 30.065 -31.488 7.865 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 30.440 -32.232 7.394 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 30.069 -31.758 8.783 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 29.734 -31.562 10.614 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 28.799 -31.462 10.793 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 30.014 -32.271 11.192 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 19.871 -36.111 20.657 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 20.088 -36.472 21.517 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 19.016 -36.485 20.447 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 22.490 -47.641 16.653 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 21.629 -47.728 16.245 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 22.468 -46.785 17.080 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 22.581 -42.675 17.748 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 21.939 -42.716 18.457 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 22.618 -41.749 17.510 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 22.578 -42.454 12.660 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 21.685 -42.795 12.601 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 23.029 -42.831 11.904 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 20.331 -42.355 19.615 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 20.293 -41.955 20.483 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 19.840 -43.172 19.705 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 23.697 -44.981 6.413 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 23.266 -45.426 7.143 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 22.979 -44.609 5.901 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 25.160 -45.027 13.746 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 24.249 -44.970 14.035 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 25.665 -45.087 14.557 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 23.641 -43.398 10.229 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 24.573 -43.269 10.407 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 23.426 -42.728 9.580 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 22.315 -42.203 7.796 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 21.773 -42.583 7.105 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 23.149 -42.009 7.367 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 20.450 -37.646 22.895 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 21.183 -37.392 23.456 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 19.670 -37.442 23.410 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 21.482 -46.103 12.051 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 21.165 -47.005 12.016 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 22.263 -46.101 11.499 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 25.106 -43.851 18.047 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 24.271 -43.397 18.157 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 25.630 -43.575 18.799 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 20.775 -38.343 15.501 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 21.520 -38.345 14.900 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 20.853 -39.167 15.983 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 17.783 -39.882 20.816 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 18.006 -40.300 21.648 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 17.181 -40.495 20.394 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 24.577 -37.162 12.482 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 24.336 -36.237 12.524 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 23.837 -37.621 12.878 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 25.092 -33.013 18.797 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 25.455 -32.158 18.564 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 25.624 -33.305 19.538 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 23.261 -32.140 12.027 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 22.311 -32.035 12.079 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 23.612 -31.320 12.372 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 19.417 -45.129 20.374 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 18.524 -44.790 20.307 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 19.318 -45.984 20.792 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 24.930 -34.873 6.019 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 25.169 -35.621 5.471 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 24.661 -35.261 6.851 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 23.867 -35.303 8.475 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 24.014 -35.823 9.265 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 23.864 -34.396 8.781 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 26.605 -33.605 9.224 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 25.788 -33.108 9.277 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 27.134 -33.130 8.584 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 20.060 -47.990 15.671 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 19.831 -47.931 14.744 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 19.617 -48.782 15.978 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 26.968 -33.010 6.157 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 26.324 -33.641 6.479 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 27.730 -33.541 5.925 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 18.186 -37.627 24.116 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 18.330 -38.529 23.830 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 17.413 -37.341 23.628 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 22.527 -37.283 6.248 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 22.591 -38.077 6.779 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 23.180 -37.402 5.559 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 27.879 -36.236 5.984 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 27.611 -36.056 6.885 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 27.673 -37.162 5.853 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 19.018 -40.427 23.536 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 19.426 -41.284 23.415 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 18.758 -40.412 24.457 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 23.676 -39.311 8.554 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 23.217 -39.795 9.240 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 23.931 -39.979 7.918 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 22.965 -41.418 20.910 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 22.347 -40.743 21.191 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 23.309 -41.097 20.077 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 24.747 -41.068 6.817 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 24.567 -41.222 5.889 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 25.698 -40.960 6.861 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 17.410 -43.921 22.775 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 18.329 -44.043 23.011 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 16.960 -44.671 23.164 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 17.212 -47.614 19.134 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 16.547 -47.860 19.777 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 16.769 -46.992 18.557 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 19.404 -34.439 23.278 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 18.583 -34.264 22.818 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 19.152 -34.512 24.199 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 22.358 -33.464 19.537 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 21.933 -32.655 19.254 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 23.263 -33.379 19.235 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 23.853 -32.405 15.998 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 24.066 -33.293 15.711 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 23.918 -32.439 16.953 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 19.688 -48.107 12.965 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 18.911 -48.341 12.457 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 20.219 -48.904 12.973 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 18.525 -48.309 8.768 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 18.964 -47.698 8.177 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 17.891 -47.771 9.242 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 20.386 -46.393 7.211 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 20.877 -47.023 6.683 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 21.009 -46.097 7.874 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 27.290 -31.151 8.063 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 28.156 -30.785 7.885 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 27.043 -31.591 7.250 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 18.293 -36.539 29.135 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 18.021 -36.310 28.246 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 18.338 -35.701 29.595 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 20.936 -35.436 26.738 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 21.528 -34.737 27.014 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 21.395 -35.869 26.019 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 18.213 -35.741 26.157 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 19.127 -35.662 26.430 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 18.220 -36.428 25.490 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 18.426 -32.361 28.522 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 17.741 -32.399 27.854 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 18.429 -31.448 28.810 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 20.244 -31.441 25.547 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 19.976 -31.154 26.420 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 21.015 -31.987 25.699 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 20.068 -21.225 -0.921 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 20.110 -21.851 -0.197 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 20.771 -20.602 -0.739 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 17.602 -23.115 -6.993 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 17.154 -22.269 -7.011 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 17.041 -23.695 -7.508 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 18.312 -20.953 -4.867 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 18.526 -21.723 -4.340 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 19.050 -20.864 -5.470 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 22.385 -25.912 -4.508 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 22.428 -25.052 -4.926 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 21.927 -26.464 -5.141 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 19.005 -23.515 -3.746 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 19.659 -24.065 -3.314 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 19.029 -23.789 -4.662 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 21.195 -26.994 -0.434 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 20.976 -26.464 -1.200 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 20.527 -26.767 0.214 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 20.789 -25.102 -2.481 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 21.402 -24.469 -2.108 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 21.301 -25.574 -3.138 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 22.172 -17.354 0.641 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 22.166 -16.475 0.263 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 21.318 -17.437 1.066 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 25.221 -29.688 -2.981 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 25.104 -30.637 -3.035 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 24.366 -29.356 -2.708 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 20.706 -20.645 1.933 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 20.776 -19.994 2.631 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 19.815 -20.542 1.598 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 22.025 -14.771 3.468 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 22.033 -14.907 2.520 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 21.109 -14.889 3.720 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 17.373 -15.798 -2.358 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 18.319 -15.942 -2.377 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 17.260 -15.014 -1.821 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 19.871 -17.255 1.801 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 20.088 -17.616 2.661 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 19.016 -17.629 1.591 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 22.490 -28.785 -2.203 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 21.629 -28.872 -2.611 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 22.468 -27.929 -1.776 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 27.153 -29.063 1.171 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 27.573 -29.478 1.924 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 26.220 -29.241 1.288 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 22.581 -23.819 -1.108 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 21.939 -23.860 -0.399 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 22.618 -22.893 -1.346 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 20.331 -23.499 0.759 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 20.293 -23.099 1.627 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 19.840 -24.316 0.849 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 16.939 -26.383 -5.391 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 17.570 -26.412 -4.671 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 17.389 -26.808 -6.121 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 18.214 -25.637 -9.967 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 18.688 -25.046 -10.552 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 17.496 -25.106 -9.620 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 19.988 -24.542 -6.283 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 19.099 -24.442 -6.623 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 20.284 -25.384 -6.629 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 20.450 -18.790 4.039 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 21.183 -18.536 4.600 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 19.670 -18.586 4.554 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 24.800 -21.509 4.173 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 24.504 -21.675 3.278 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 25.731 -21.729 4.163 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 19.068 -14.468 -0.047 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 19.285 -15.400 -0.078 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 19.315 -14.194 0.837 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 20.060 -29.134 -3.185 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 19.831 -29.075 -4.112 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 19.617 -29.926 -2.878 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 18.279 -12.581 4.306 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 18.819 -12.798 5.065 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 17.798 -13.387 4.116 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 22.965 -22.562 2.054 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 22.347 -21.887 2.335 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 23.309 -22.241 1.221 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 23.305 -25.207 3.137 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 23.455 -25.936 2.534 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 23.307 -24.430 2.578 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 23.717 -26.837 0.629 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 24.253 -26.386 -0.023 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 22.865 -26.945 0.207 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 25.787 -25.059 4.624 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 25.551 -25.279 5.526 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 25.004 -25.266 4.115 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 28.503 -25.932 3.700 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 27.555 -25.900 3.832 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 28.815 -26.557 4.354 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 30.137 -27.298 5.705 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 30.040 -28.250 5.699 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 29.815 -27.029 6.566 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 17.812 -20.336 -2.222 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 17.996 -20.418 -3.157 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 18.661 -20.460 -1.798 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 18.631 -26.753 -3.190 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 19.076 -27.545 -2.888 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 19.097 -26.037 -2.759 0.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 16.935 -23.754 -2.121 0.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 17.427 -23.975 -2.911 0.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 17.297 -22.913 -1.840 0.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 17.248 -27.496 -8.066 0.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 16.323 -27.287 -8.196 0.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 17.702 -27.012 -8.756 0.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 19.404 -15.583 4.422 0.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 18.583 -15.408 3.962 0.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 19.152 -15.656 5.343 0.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 19.688 -29.251 -5.891 0.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 18.911 -29.485 -6.399 0.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 20.219 -30.048 -5.883 0.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 18.525 -29.453 -10.088 0.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 18.964 -28.842 -10.679 0.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 17.891 -28.915 -9.614 0.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 24.268 -29.324 -6.078 0.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 25.142 -28.936 -6.108 0.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 24.132 -29.539 -5.155 0.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 30.041 -30.054 5.344 0.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 30.117 -30.480 6.198 0.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 30.934 -30.040 5.002 0.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 20.068 -21.225 17.935 0.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 20.110 -21.851 18.659 0.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 20.771 -20.602 18.117 0.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 18.312 -20.953 13.989 0.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 18.526 -21.723 14.516 0.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 19.050 -20.864 13.386 0.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 22.385 -25.912 14.348 0.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 22.428 -25.052 13.930 0.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 21.927 -26.464 13.715 0.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 19.005 -23.515 15.110 0.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 19.659 -24.065 15.542 0.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 19.029 -23.789 14.194 0.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 20.789 -25.102 16.375 0.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 21.402 -24.469 16.748 0.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 21.301 -25.574 15.718 0.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 18.293 -17.683 10.279 0.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 18.021 -17.454 9.390 0.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 18.338 -16.845 10.739 0.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 25.221 -29.688 15.875 0.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 25.104 -30.637 15.821 0.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 24.366 -29.356 16.148 0.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 22.539 -20.011 13.210 0.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 22.209 -20.381 12.391 0.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 23.127 -20.681 13.556 0.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 21.529 -20.941 10.799 0.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 21.237 -20.173 10.308 0.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 20.855 -21.601 10.636 0.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 26.815 -26.570 7.312 0.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 26.561 -26.551 8.235 0.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 26.558 -27.442 7.011 0.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 22.581 -23.819 17.748 0.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 21.939 -23.860 18.457 0.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 22.618 -22.893 17.510 0.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 22.578 -23.598 12.660 0.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 21.685 -23.939 12.601 0.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 23.029 -23.975 11.904 0.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 20.331 -23.499 19.615 0.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 20.293 -23.099 20.483 0.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 19.840 -24.316 19.705 0.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 25.160 -26.171 13.746 0.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 24.249 -26.114 14.035 0.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 25.665 -26.231 14.557 0.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 19.988 -24.542 12.573 0.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 19.099 -24.442 12.233 0.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 20.284 -25.384 12.227 0.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 23.641 -24.542 10.229 0.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 24.573 -24.413 10.407 0.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 23.426 -23.872 9.580 0.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 21.482 -27.247 12.051 0.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 21.165 -28.149 12.016 0.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 22.263 -27.245 11.499 0.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 25.106 -24.995 18.047 0.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 24.271 -24.541 18.157 0.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 25.630 -24.719 18.799 0.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 29.548 -25.968 7.931 0.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 28.610 -25.856 7.780 0.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 29.845 -25.111 8.237 0.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 19.417 -26.273 20.374 0.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 18.524 -25.934 20.307 0.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 19.318 -27.128 20.792 0.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 20.320 -19.194 8.985 0.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 19.634 -18.842 9.552 0.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 20.843 -18.431 8.739 0.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 28.936 -26.880 10.361 0.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 29.156 -26.408 9.558 0.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 29.494 -26.485 11.032 0.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 26.136 -25.152 11.196 0.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 26.948 -24.648 11.242 0.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 25.891 -25.297 12.110 0.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 27.020 -28.071 12.134 0.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 26.673 -27.453 12.779 0.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 27.678 -27.570 11.653 0.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 20.936 -16.580 7.882 0.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 21.528 -15.881 8.158 0.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 21.395 -17.013 7.163 0.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 22.527 -18.427 6.248 0.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 22.591 -19.221 6.779 0.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 23.180 -18.546 5.559 0.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 23.676 -20.455 8.554 0.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 23.217 -20.939 9.240 0.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 23.931 -21.123 7.918 0.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 24.747 -22.212 6.817 0.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 24.567 -22.366 5.889 0.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 25.698 -22.104 6.861 0.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 23.305 -25.207 21.993 0.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 23.455 -25.936 21.390 0.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 23.307 -24.430 21.434 0.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 23.717 -26.837 19.485 0.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 24.253 -26.386 18.833 0.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 22.865 -26.945 19.063 0.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 24.523 -29.381 19.917 0.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 24.425 -28.434 19.811 0.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 23.780 -29.753 19.441 0.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 19.964 -26.088 23.609 0.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 20.175 -26.795 22.998 0.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 19.852 -26.526 24.453 0.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 24.745 -30.087 22.588 0.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 25.457 -30.727 22.574 0.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 24.644 -29.820 21.674 0.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 18.213 -16.885 7.301 0.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 19.127 -16.806 7.574 0.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 18.220 -17.572 6.634 0.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 17.812 -20.336 16.634 0.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 17.996 -20.418 15.699 0.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 18.661 -20.460 17.058 0.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 17.410 -25.065 22.775 0.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 18.329 -25.187 23.011 0.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 16.960 -25.815 23.164 0.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 16.935 -23.754 16.735 0.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 17.427 -23.975 15.945 0.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 17.297 -22.913 17.016 0.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 24.268 -29.324 12.778 0.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 25.142 -28.936 12.748 0.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 24.132 -29.539 13.701 0.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 19.646 -28.737 22.482 0.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 19.280 -29.502 22.925 0.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 20.559 -28.708 22.769 0.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 21.619 -29.386 24.018 0.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 22.518 -29.660 23.833 0.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 21.233 -30.129 24.482 0.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 18.525 -29.453 27.624 0.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 18.964 -28.842 27.033 0.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 17.891 -28.915 28.098 0.00 0.00 WAT1 END