REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1604.37, 79.889, 90.4787, 46.7982, 421.3, -275.305, -1968.27, 0.689549, 4.681791E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.244965E-03,0.464439,1.26594,42.2157,2.595606E-03,9.925819E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 14, 2 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:47 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 10.195 -9.914 29.420 1.00 13.32 ATOM 2 CB MET 1 11.441 -9.129 30.985 1.00 52.24 ATOM 3 HB1 MET 1 12.277 -9.762 30.721 1.00 37.00 ATOM 4 HB2 MET 1 10.863 -9.622 31.754 1.00 24.32 ATOM 5 CG MET 1 11.991 -7.830 31.563 1.00 60.34 ATOM 6 HG1 MET 1 11.164 -7.173 31.792 1.00 37.00 ATOM 7 HG2 MET 1 12.627 -7.365 30.824 1.00 63.15 ATOM 8 SD MET 1 12.950 -8.092 33.068 1.00 43.24 ATOM 9 CE MET 1 13.420 -6.411 33.479 1.00 41.51 ATOM 10 HE1 MET 1 14.007 -5.995 32.676 1.00 11.42 ATOM 11 HE2 MET 1 14.004 -6.413 34.389 1.00 72.44 ATOM 12 HE3 MET 1 12.532 -5.814 33.621 1.00 0.43 ATOM 13 C MET 1 9.340 -8.071 30.084 1.00 5.41 ATOM 14 O MET 1 9.298 -6.890 29.735 1.00 24.13 ATOM 15 N MET 1 11.341 -8.359 28.618 1.00 30.53 ATOM 16 HT1 MET 1 11.645 -7.391 28.853 1.00 37.00 ATOM 17 HT2 MET 1 10.762 -8.326 27.754 1.00 37.00 ATOM 18 HT3 MET 1 12.183 -8.940 28.431 1.00 37.00 ATOM 19 CA MET 1 10.554 -8.944 29.741 1.00 61.50 ATOM 20 N GLY 2 8.358 -8.652 30.771 1.00 54.12 ATOM 21 HN GLY 2 8.459 -9.588 31.052 1.00 37.00 ATOM 22 CA GLY 2 7.146 -7.918 31.130 1.00 63.21 ATOM 23 HA1 GLY 2 7.430 -6.966 31.559 1.00 37.00 ATOM 24 HA2 GLY 2 6.607 -8.484 31.877 1.00 5.34 ATOM 25 C GLY 2 6.217 -7.667 29.942 1.00 51.44 ATOM 26 O GLY 2 5.113 -8.215 29.875 1.00 13.11 ATOM 27 N HIS 3 6.673 -6.843 28.998 1.00 31.41 ATOM 28 HN HIS 3 7.576 -6.474 29.094 1.00 37.00 ATOM 29 CA HIS 3 5.883 -6.491 27.811 1.00 34.43 ATOM 30 HA HIS 3 4.879 -6.254 28.137 1.00 63.21 ATOM 31 CB HIS 3 6.486 -5.259 27.117 1.00 50.14 ATOM 32 HB1 HIS 3 5.840 -4.959 26.303 1.00 37.00 ATOM 33 HB2 HIS 3 7.457 -5.518 26.720 1.00 44.34 ATOM 34 CG HIS 3 6.668 -4.078 28.024 1.00 25.20 ATOM 35 ND1 HIS 3 5.964 -2.901 27.889 1.00 72.14 ATOM 36 HD1 HIS 3 5.279 -2.716 27.215 1.00 42.44 ATOM 37 CD2 HIS 3 7.496 -3.893 29.080 1.00 31.12 ATOM 38 HD2 HIS 3 8.197 -4.613 29.475 1.00 74.51 ATOM 39 CE1 HIS 3 6.351 -2.049 28.817 1.00 61.13 ATOM 40 HE1 HIS 3 5.971 -1.048 28.952 1.00 71.15 ATOM 41 NE2 HIS 3 7.278 -2.626 29.554 1.00 0.34 ATOM 42 HE2 HIS 3 7.575 -2.298 30.430 1.00 37.00 ATOM 43 C HIS 3 5.819 -7.669 26.825 1.00 32.52 ATOM 44 O HIS 3 6.625 -7.762 25.896 1.00 42.31 ATOM 45 N HIS 4 4.866 -8.571 27.042 1.00 20.11 ATOM 46 HN HIS 4 4.230 -8.421 27.774 1.00 37.00 ATOM 47 CA HIS 4 4.742 -9.785 26.227 1.00 33.30 ATOM 48 HA HIS 4 5.742 -10.149 26.027 1.00 1.30 ATOM 49 CB HIS 4 3.973 -10.864 27.003 1.00 2.53 ATOM 50 HB1 HIS 4 2.974 -10.506 27.209 1.00 37.00 ATOM 51 HB2 HIS 4 4.481 -11.053 27.938 1.00 32.33 ATOM 52 CG HIS 4 3.858 -12.170 26.272 1.00 2.20 ATOM 53 ND1 HIS 4 2.661 -12.675 25.810 1.00 23.21 ATOM 54 HD1 HIS 4 1.785 -12.247 25.904 1.00 12.41 ATOM 55 CD2 HIS 4 4.799 -13.081 25.929 1.00 73.41 ATOM 56 HD2 HIS 4 5.859 -13.015 26.130 1.00 74.11 ATOM 57 CE1 HIS 4 2.869 -13.831 25.220 1.00 40.55 ATOM 58 HE1 HIS 4 2.113 -14.454 24.767 1.00 65.35 ATOM 59 NE2 HIS 4 4.156 -14.104 25.276 1.00 14.44 ATOM 60 HE2 HIS 4 4.543 -14.988 25.097 1.00 37.00 ATOM 61 C HIS 4 4.049 -9.505 24.883 1.00 72.15 ATOM 62 O HIS 4 4.335 -10.161 23.881 1.00 33.33 ATOM 63 N HIS 5 3.130 -8.545 24.865 1.00 74.25 ATOM 64 HN HIS 5 2.903 -8.085 25.704 1.00 37.00 ATOM 65 CA HIS 5 2.441 -8.164 23.626 1.00 14.25 ATOM 66 HA HIS 5 3.118 -8.348 22.803 1.00 51.23 ATOM 67 CB HIS 5 1.178 -9.021 23.435 1.00 44.34 ATOM 68 HB1 HIS 5 0.385 -8.630 24.059 1.00 37.00 ATOM 69 HB2 HIS 5 1.391 -10.039 23.734 1.00 65.24 ATOM 70 CG HIS 5 0.678 -9.056 22.019 1.00 25.54 ATOM 71 ND1 HIS 5 0.892 -10.124 21.171 1.00 3.44 ATOM 72 HD1 HIS 5 1.372 -10.952 21.399 1.00 73.21 ATOM 73 CD2 HIS 5 -0.027 -8.150 21.300 1.00 11.11 ATOM 74 HD2 HIS 5 -0.375 -7.186 21.644 1.00 74.12 ATOM 75 CE1 HIS 5 0.345 -9.874 20.000 1.00 70.42 ATOM 76 HE1 HIS 5 0.356 -10.532 19.144 1.00 32.44 ATOM 77 NE2 HIS 5 -0.218 -8.686 20.050 1.00 24.32 ATOM 78 HE2 HIS 5 -0.802 -8.314 19.356 1.00 37.00 ATOM 79 C HIS 5 2.081 -6.669 23.640 1.00 41.51 ATOM 80 O HIS 5 1.633 -6.143 24.658 1.00 74.02 ATOM 81 N HIS 6 2.280 -5.986 22.511 1.00 22.14 ATOM 82 HN HIS 6 2.627 -6.457 21.721 1.00 37.00 ATOM 83 CA HIS 6 2.014 -4.541 22.424 1.00 55.31 ATOM 84 HA HIS 6 1.281 -4.290 23.178 1.00 2.34 ATOM 85 CB HIS 6 3.310 -3.769 22.713 1.00 0.54 ATOM 86 HB1 HIS 6 4.009 -3.938 21.905 1.00 37.00 ATOM 87 HB2 HIS 6 3.740 -4.141 23.631 1.00 11.32 ATOM 88 CG HIS 6 3.127 -2.288 22.864 1.00 13.43 ATOM 89 ND1 HIS 6 2.688 -1.704 24.031 1.00 52.31 ATOM 90 HD1 HIS 6 2.458 -2.179 24.860 1.00 62.40 ATOM 91 CD2 HIS 6 3.335 -1.267 21.995 1.00 13.51 ATOM 92 HD2 HIS 6 3.688 -1.353 20.976 1.00 65.32 ATOM 93 CE1 HIS 6 2.632 -0.397 23.877 1.00 21.21 ATOM 94 HE1 HIS 6 2.325 0.314 24.627 1.00 62.32 ATOM 95 NE2 HIS 6 3.019 -0.104 22.653 1.00 60.41 ATOM 96 HE2 HIS 6 3.264 0.797 22.349 1.00 37.00 ATOM 97 C HIS 6 1.455 -4.152 21.044 1.00 22.01 ATOM 98 O HIS 6 1.892 -4.675 20.019 1.00 33.20 ATOM 99 N HIS 7 0.488 -3.234 21.025 1.00 71.33 ATOM 100 HN HIS 7 0.168 -2.860 21.874 1.00 37.00 ATOM 101 CA HIS 7 -0.112 -2.768 19.767 1.00 2.31 ATOM 102 HA HIS 7 -0.347 -3.643 19.175 1.00 71.53 ATOM 103 CB HIS 7 -1.410 -1.997 20.045 1.00 64.34 ATOM 104 HB1 HIS 7 -1.799 -1.611 19.113 1.00 37.00 ATOM 105 HB2 HIS 7 -1.198 -1.172 20.708 1.00 51.31 ATOM 106 CG HIS 7 -2.482 -2.827 20.680 1.00 33.20 ATOM 107 ND1 HIS 7 -2.874 -2.679 21.992 1.00 2.31 ATOM 108 HD1 HIS 7 -2.500 -2.036 22.633 1.00 74.30 ATOM 109 CD2 HIS 7 -3.258 -3.812 20.171 1.00 61.11 ATOM 110 HD2 HIS 7 -3.226 -4.197 19.161 1.00 2.13 ATOM 111 CE1 HIS 7 -3.838 -3.534 22.263 1.00 71.41 ATOM 112 HE1 HIS 7 -4.335 -3.644 23.214 1.00 62.33 ATOM 113 NE2 HIS 7 -4.092 -4.233 21.177 1.00 41.41 ATOM 114 HE2 HIS 7 -4.887 -4.796 21.050 1.00 37.00 ATOM 115 C HIS 7 0.862 -1.884 18.966 1.00 61.02 ATOM 116 O HIS 7 1.708 -1.194 19.537 1.00 0.01 ATOM 117 N HIS 8 0.720 -1.900 17.643 1.00 43.53 ATOM 118 HN HIS 8 -0.010 -2.424 17.254 1.00 37.00 ATOM 119 CA HIS 8 1.611 -1.146 16.751 1.00 10.44 ATOM 120 HA HIS 8 2.619 -1.242 17.132 1.00 61.34 ATOM 121 CB HIS 8 1.556 -1.743 15.339 1.00 73.41 ATOM 122 HB1 HIS 8 2.282 -1.247 14.712 1.00 37.00 ATOM 123 HB2 HIS 8 0.567 -1.590 14.927 1.00 64.12 ATOM 124 CG HIS 8 1.843 -3.214 15.307 1.00 74.01 ATOM 125 ND1 HIS 8 3.114 -3.739 15.347 1.00 60.12 ATOM 126 HD1 HIS 8 3.949 -3.222 15.389 1.00 30.41 ATOM 127 CD2 HIS 8 1.005 -4.276 15.256 1.00 53.43 ATOM 128 HD2 HIS 8 -0.074 -4.240 15.216 1.00 21.01 ATOM 129 CE1 HIS 8 3.049 -5.053 15.323 1.00 60.12 ATOM 130 HE1 HIS 8 3.892 -5.728 15.344 1.00 73.24 ATOM 131 NE2 HIS 8 1.783 -5.405 15.267 1.00 2.55 ATOM 132 HE2 HIS 8 1.452 -6.315 15.421 1.00 37.00 ATOM 133 C HIS 8 1.241 0.350 16.713 1.00 25.31 ATOM 134 O HIS 8 0.280 0.784 17.356 1.00 31.33 ATOM 135 N SER 9 2.005 1.139 15.957 1.00 20.12 ATOM 136 HN SER 9 2.747 0.745 15.447 1.00 37.00 ATOM 137 CA SER 9 1.769 2.590 15.880 1.00 44.14 ATOM 138 HA SER 9 0.728 2.765 16.112 1.00 63.14 ATOM 139 CB SER 9 2.632 3.328 16.915 1.00 74.41 ATOM 140 HB1 SER 9 2.409 2.948 17.901 1.00 37.00 ATOM 141 HB2 SER 9 2.407 4.384 16.880 1.00 5.15 ATOM 142 OG SER 9 4.020 3.153 16.663 1.00 54.02 ATOM 143 HG SER 9 4.365 3.939 16.221 1.00 45.21 ATOM 144 C SER 9 2.054 3.151 14.476 1.00 50.41 ATOM 145 O SER 9 3.102 2.888 13.889 1.00 21.03 ATOM 146 N HIS 10 1.110 3.927 13.941 1.00 11.44 ATOM 147 HN HIS 10 0.278 4.073 14.441 1.00 37.00 ATOM 148 CA HIS 10 1.271 4.582 12.633 1.00 2.43 ATOM 149 HA HIS 10 2.332 4.677 12.440 1.00 13.21 ATOM 150 CB HIS 10 0.636 3.735 11.518 1.00 54.45 ATOM 151 HB1 HIS 10 0.560 4.332 10.618 1.00 37.00 ATOM 152 HB2 HIS 10 -0.356 3.434 11.824 1.00 4.35 ATOM 153 CG HIS 10 1.412 2.491 11.180 1.00 52.23 ATOM 154 ND1 HIS 10 1.209 1.276 11.801 1.00 21.24 ATOM 155 HD1 HIS 10 0.543 1.090 12.495 1.00 61.31 ATOM 156 CD2 HIS 10 2.405 2.282 10.281 1.00 12.31 ATOM 157 HD2 HIS 10 2.823 3.016 9.606 1.00 33.41 ATOM 158 CE1 HIS 10 2.038 0.381 11.301 1.00 45.32 ATOM 159 HE1 HIS 10 2.104 -0.656 11.599 1.00 12.24 ATOM 160 NE2 HIS 10 2.772 0.964 10.380 1.00 20.21 ATOM 161 HE2 HIS 10 3.550 0.554 9.939 1.00 37.00 ATOM 162 C HIS 10 0.656 5.990 12.646 1.00 74.13 ATOM 163 O HIS 10 -0.223 6.284 13.456 1.00 62.52 ATOM 164 N MET 11 1.124 6.849 11.741 1.00 51.50 ATOM 165 HN MET 11 1.790 6.537 11.094 1.00 37.00 ATOM 166 CA MET 11 0.686 8.252 11.694 1.00 43.52 ATOM 167 HA MET 11 0.909 8.691 12.656 1.00 14.03 ATOM 168 CB MET 11 1.466 9.020 10.618 1.00 4.13 ATOM 169 HB1 MET 11 2.524 8.925 10.821 1.00 37.00 ATOM 170 HB2 MET 11 1.195 10.065 10.671 1.00 35.05 ATOM 171 CG MET 11 1.210 8.536 9.195 1.00 40.23 ATOM 172 HG1 MET 11 0.146 8.548 9.009 1.00 37.00 ATOM 173 HG2 MET 11 1.580 7.525 9.099 1.00 51.31 ATOM 174 SD MET 11 2.024 9.571 7.959 1.00 24.44 ATOM 175 CE MET 11 1.437 8.818 6.440 1.00 23.23 ATOM 176 HE1 MET 11 1.763 7.788 6.397 1.00 53.12 ATOM 177 HE2 MET 11 1.837 9.355 5.595 1.00 3.33 ATOM 178 HE3 MET 11 0.356 8.858 6.412 1.00 14.22 ATOM 179 C MET 11 -0.827 8.399 11.432 1.00 5.21 ATOM 180 O MET 11 -1.453 7.549 10.795 1.00 63.35 ATOM 181 N ALA 12 -1.401 9.491 11.932 1.00 75.31 ATOM 182 HN ALA 12 -0.858 10.094 12.484 1.00 37.00 ATOM 183 CA ALA 12 -2.815 9.817 11.710 1.00 13.50 ATOM 184 HA ALA 12 -3.101 9.433 10.738 1.00 11.14 ATOM 185 CB ALA 12 -3.687 9.138 12.764 1.00 11.13 ATOM 186 HB1 ALA 12 -3.451 9.537 13.740 1.00 42.12 ATOM 187 HB2 ALA 12 -3.499 8.074 12.756 1.00 3.03 ATOM 188 HB3 ALA 12 -4.730 9.319 12.544 1.00 2.33 ATOM 189 C ALA 12 -3.034 11.337 11.725 1.00 63.03 ATOM 190 O ALA 12 -2.986 11.969 12.781 1.00 64.33 ATOM 191 N LYS 13 -3.260 11.919 10.547 1.00 71.21 ATOM 192 HN LYS 13 -3.306 11.360 9.746 1.00 37.00 ATOM 193 CA LYS 13 -3.439 13.372 10.416 1.00 61.03 ATOM 194 HA LYS 13 -2.698 13.845 11.045 1.00 51.25 ATOM 195 CB LYS 13 -3.188 13.808 8.959 1.00 50.13 ATOM 196 HB1 LYS 13 -2.138 13.676 8.737 1.00 37.00 ATOM 197 HB2 LYS 13 -3.434 14.856 8.864 1.00 41.24 ATOM 198 CG LYS 13 -3.997 13.029 7.918 1.00 50.34 ATOM 199 HG1 LYS 13 -5.051 13.182 8.105 1.00 37.00 ATOM 200 HG2 LYS 13 -3.764 11.979 8.010 1.00 62.51 ATOM 201 CD LYS 13 -3.674 13.481 6.497 1.00 73.20 ATOM 202 HD1 LYS 13 -2.615 13.351 6.325 1.00 37.00 ATOM 203 HD2 LYS 13 -3.928 14.527 6.395 1.00 31.43 ATOM 204 CE LYS 13 -4.447 12.677 5.453 1.00 3.03 ATOM 205 HE1 LYS 13 -5.507 12.800 5.628 1.00 37.00 ATOM 206 HE2 LYS 13 -4.186 11.633 5.554 1.00 34.15 ATOM 207 NZ LYS 13 -4.132 13.114 4.068 1.00 3.04 ATOM 208 HZ1 LYS 13 -4.397 14.110 3.935 1.00 3.34 ATOM 209 HZ2 LYS 13 -4.657 12.535 3.380 1.00 51.43 ATOM 210 HZ3 LYS 13 -3.115 13.009 3.883 1.00 25.32 ATOM 211 C LYS 13 -4.840 13.826 10.886 1.00 55.13 ATOM 212 O LYS 13 -5.854 13.492 10.270 1.00 15.24 ATOM 213 N PRO 14 -4.915 14.583 12.001 1.00 25.22 ATOM 214 CA PRO 14 -6.180 15.084 12.546 1.00 24.44 ATOM 215 HA PRO 14 -6.996 14.404 12.349 1.00 54.45 ATOM 216 CB PRO 14 -5.882 15.105 14.047 1.00 33.32 ATOM 217 HB1 PRO 14 -6.083 14.131 14.472 1.00 37.00 ATOM 218 HB2 PRO 14 -6.499 15.848 14.534 1.00 24.42 ATOM 219 CG PRO 14 -4.425 15.451 14.139 1.00 31.14 ATOM 220 HG1 PRO 14 -3.979 14.936 14.979 1.00 37.00 ATOM 221 HG2 PRO 14 -4.312 16.519 14.260 1.00 41.14 ATOM 222 CD PRO 14 -3.775 15.000 12.842 1.00 53.24 ATOM 223 HD1 PRO 14 -3.106 14.169 13.023 1.00 37.00 ATOM 224 HD2 PRO 14 -3.240 15.818 12.382 1.00 60.34 ATOM 225 C PRO 14 -6.551 16.495 12.046 1.00 65.33 ATOM 226 O PRO 14 -5.690 17.365 11.897 1.00 12.05 ATOM 227 N THR 15 -7.840 16.717 11.792 1.00 15.22 ATOM 228 HN THR 15 -8.476 15.972 11.868 1.00 37.00 ATOM 229 CA THR 15 -8.339 18.046 11.404 1.00 64.41 ATOM 230 HA THR 15 -7.485 18.678 11.190 1.00 4.22 ATOM 231 CB THR 15 -9.227 17.981 10.132 1.00 21.14 ATOM 232 HB THR 15 -10.101 17.382 10.354 1.00 13.22 ATOM 233 OG1 THR 15 -8.504 17.367 9.049 1.00 72.31 ATOM 234 HG1 THR 15 -8.035 16.589 9.380 1.00 20.34 ATOM 235 CG2 THR 15 -9.689 19.373 9.704 1.00 52.32 ATOM 236 HG21 THR 15 -8.828 19.986 9.483 1.00 43.54 ATOM 237 HG22 THR 15 -10.259 19.827 10.503 1.00 54.41 ATOM 238 HG23 THR 15 -10.308 19.293 8.821 1.00 40.10 ATOM 239 C THR 15 -9.140 18.675 12.555 1.00 2.31 ATOM 240 O THR 15 -10.323 18.378 12.738 1.00 71.42 ATOM 241 N ALA 16 -8.485 19.540 13.334 1.00 33.20 ATOM 242 HN ALA 16 -7.569 19.791 13.092 1.00 37.00 ATOM 243 CA ALA 16 -9.085 20.123 14.545 1.00 20.30 ATOM 244 HA ALA 16 -9.878 19.465 14.877 1.00 32.22 ATOM 245 CB ALA 16 -8.033 20.179 15.652 1.00 10.23 ATOM 246 HB1 ALA 16 -7.238 20.852 15.364 1.00 23.51 ATOM 247 HB2 ALA 16 -7.625 19.191 15.813 1.00 12.33 ATOM 248 HB3 ALA 16 -8.489 20.531 16.567 1.00 53.13 ATOM 249 C ALA 16 -9.681 21.523 14.301 1.00 51.14 ATOM 250 O ALA 16 -9.689 22.368 15.199 1.00 1.33 ATOM 251 N ARG 17 -10.190 21.762 13.091 1.00 61.12 ATOM 252 HN ARG 17 -10.146 21.059 12.412 1.00 37.00 ATOM 253 CA ARG 17 -10.834 23.043 12.756 1.00 63.41 ATOM 254 HA ARG 17 -11.069 23.542 13.688 1.00 51.45 ATOM 255 CB ARG 17 -9.878 23.940 11.947 1.00 3.41 ATOM 256 HB1 ARG 17 -10.430 24.793 11.571 1.00 37.00 ATOM 257 HB2 ARG 17 -9.495 23.374 11.108 1.00 63.32 ATOM 258 CG ARG 17 -8.690 24.458 12.759 1.00 72.11 ATOM 259 HG1 ARG 17 -8.037 25.016 12.104 1.00 37.00 ATOM 260 HG2 ARG 17 -8.152 23.615 13.169 1.00 70.02 ATOM 261 CD ARG 17 -9.133 25.367 13.910 1.00 4.45 ATOM 262 HD1 ARG 17 -8.307 25.475 14.600 1.00 37.00 ATOM 263 HD2 ARG 17 -9.963 24.902 14.423 1.00 52.31 ATOM 264 NE ARG 17 -9.540 26.700 13.451 1.00 12.11 ATOM 265 HE ARG 17 -9.092 27.057 12.661 1.00 5.43 ATOM 266 CZ ARG 17 -10.414 27.460 14.060 1.00 14.33 ATOM 267 NH1 ARG 17 -11.090 27.020 15.070 1.00 52.42 ATOM 268 HH11 ARG 17 -10.957 26.086 15.396 1.00 42.54 ATOM 269 HH12 ARG 17 -11.748 27.617 15.525 1.00 52.11 ATOM 270 NH2 ARG 17 -10.623 28.665 13.643 1.00 45.54 ATOM 271 HH21 ARG 17 -10.123 29.012 12.852 1.00 2.31 ATOM 272 HH22 ARG 17 -11.274 29.252 14.122 1.00 13.43 ATOM 273 C ARG 17 -12.151 22.826 11.994 1.00 42.14 ATOM 274 O ARG 17 -12.554 21.689 11.733 1.00 43.55 ATOM 275 N GLY 18 -12.811 23.924 11.637 1.00 24.42 ATOM 276 HN GLY 18 -12.392 24.799 11.780 1.00 37.00 ATOM 277 CA GLY 18 -14.143 23.853 11.042 1.00 70.12 ATOM 278 HA1 GLY 18 -14.327 22.849 10.687 1.00 37.00 ATOM 279 HA2 GLY 18 -14.187 24.535 10.205 1.00 64.43 ATOM 280 C GLY 18 -15.223 24.231 12.050 1.00 64.30 ATOM 281 O GLY 18 -16.148 23.460 12.313 1.00 71.41 ATOM 282 N GLU 19 -15.089 25.427 12.621 1.00 13.24 ATOM 283 HN GLU 19 -14.376 26.024 12.303 1.00 37.00 ATOM 284 CA GLU 19 -15.967 25.890 13.703 1.00 70.01 ATOM 285 HA GLU 19 -16.697 25.118 13.900 1.00 4.42 ATOM 286 CB GLU 19 -15.123 26.117 14.969 1.00 32.41 ATOM 287 HB1 GLU 19 -15.772 26.445 15.768 1.00 37.00 ATOM 288 HB2 GLU 19 -14.395 26.892 14.769 1.00 51.22 ATOM 289 CG GLU 19 -14.375 24.869 15.442 1.00 14.00 ATOM 290 HG1 GLU 19 -13.827 24.457 14.605 1.00 37.00 ATOM 291 HG2 GLU 19 -15.097 24.140 15.785 1.00 75.22 ATOM 292 CD GLU 19 -13.398 25.148 16.577 1.00 15.03 ATOM 293 OE1 GLU 19 -13.846 25.586 17.654 1.00 55.51 ATOM 294 OE2 GLU 19 -12.181 24.910 16.407 1.00 63.22 ATOM 295 C GLU 19 -16.703 27.183 13.309 1.00 24.11 ATOM 296 O GLU 19 -16.083 28.140 12.838 1.00 61.30 ATOM 297 N ALA 20 -18.026 27.208 13.503 1.00 4.54 ATOM 298 HN ALA 20 -18.461 26.437 13.925 1.00 37.00 ATOM 299 CA ALA 20 -18.842 28.368 13.111 1.00 64.12 ATOM 300 HA ALA 20 -18.398 29.248 13.558 1.00 62.42 ATOM 301 CB ALA 20 -18.808 28.541 11.598 1.00 15.43 ATOM 302 HB1 ALA 20 -19.401 29.400 11.318 1.00 54.23 ATOM 303 HB2 ALA 20 -19.209 27.657 11.124 1.00 21.05 ATOM 304 HB3 ALA 20 -17.787 28.689 11.275 1.00 74.00 ATOM 305 C ALA 20 -20.295 28.251 13.603 1.00 22.12 ATOM 306 O ALA 20 -20.642 27.318 14.330 1.00 34.23 ATOM 307 N GLY 21 -21.147 29.203 13.198 1.00 1.21 ATOM 308 HN GLY 21 -20.832 29.894 12.577 1.00 37.00 ATOM 309 CA GLY 21 -22.532 29.235 13.681 1.00 31.03 ATOM 310 HA1 GLY 21 -22.659 30.122 14.284 1.00 37.00 ATOM 311 HA2 GLY 21 -22.701 28.372 14.308 1.00 35.33 ATOM 312 C GLY 21 -23.596 29.240 12.578 1.00 32.32 ATOM 313 O GLY 21 -24.529 28.437 12.612 1.00 40.31 ATOM 314 N SER 22 -23.466 30.144 11.603 1.00 33.44 ATOM 315 HN SER 22 -22.664 30.705 11.579 1.00 37.00 ATOM 316 CA SER 22 -24.497 30.326 10.559 1.00 20.24 ATOM 317 HA SER 22 -25.416 30.608 11.054 1.00 54.44 ATOM 318 CB SER 22 -24.096 31.453 9.597 1.00 4.03 ATOM 319 HB1 SER 22 -24.888 31.609 8.878 1.00 37.00 ATOM 320 HB2 SER 22 -23.191 31.178 9.080 1.00 54.45 ATOM 321 OG SER 22 -23.869 32.671 10.291 1.00 14.14 ATOM 322 HG SER 22 -23.116 33.129 9.893 1.00 22.13 ATOM 323 C SER 22 -24.754 29.044 9.752 1.00 1.43 ATOM 324 O SER 22 -23.878 28.188 9.625 1.00 73.12 ATOM 325 N ARG 23 -25.963 28.937 9.195 1.00 12.10 ATOM 326 HN ARG 23 -26.616 29.655 9.351 1.00 37.00 ATOM 327 CA ARG 23 -26.368 27.776 8.384 1.00 42.24 ATOM 328 HA ARG 23 -26.521 26.944 9.058 1.00 53.01 ATOM 329 CB ARG 23 -27.690 28.081 7.664 1.00 24.02 ATOM 330 HB1 ARG 23 -27.542 28.931 7.010 1.00 37.00 ATOM 331 HB2 ARG 23 -28.435 28.339 8.406 1.00 2.50 ATOM 332 CG ARG 23 -28.233 26.920 6.829 1.00 62.04 ATOM 333 HG1 ARG 23 -28.491 26.103 7.490 1.00 37.00 ATOM 334 HG2 ARG 23 -27.469 26.595 6.138 1.00 43.02 ATOM 335 CD ARG 23 -29.471 27.326 6.038 1.00 71.13 ATOM 336 HD1 ARG 23 -29.886 26.448 5.564 1.00 37.00 ATOM 337 HD2 ARG 23 -29.182 28.041 5.281 1.00 22.02 ATOM 338 NE ARG 23 -30.486 27.926 6.897 1.00 75.52 ATOM 339 HE ARG 23 -30.365 27.852 7.866 1.00 74.52 ATOM 340 CZ ARG 23 -31.534 28.566 6.465 1.00 3.22 ATOM 341 NH1 ARG 23 -31.789 28.649 5.198 1.00 40.42 ATOM 342 HH11 ARG 23 -31.182 28.214 4.537 1.00 42.14 ATOM 343 HH12 ARG 23 -32.593 29.152 4.886 1.00 43.23 ATOM 344 NH2 ARG 23 -32.340 29.107 7.314 1.00 32.15 ATOM 345 HH21 ARG 23 -32.151 29.032 8.292 1.00 3.13 ATOM 346 HH22 ARG 23 -33.152 29.588 6.993 1.00 23.35 ATOM 347 C ARG 23 -25.300 27.384 7.346 1.00 14.04 ATOM 348 O ARG 23 -24.761 26.279 7.385 1.00 63.21 ATOM 349 N ASP 24 -24.997 28.297 6.424 1.00 14.51 ATOM 350 HN ASP 24 -25.425 29.179 6.465 1.00 37.00 ATOM 351 CA ASP 24 -24.044 28.024 5.343 1.00 12.12 ATOM 352 HA ASP 24 -24.402 27.147 4.821 1.00 74.43 ATOM 353 CB ASP 24 -24.033 29.194 4.361 1.00 40.11 ATOM 354 HB1 ASP 24 -23.291 29.015 3.596 1.00 37.00 ATOM 355 HB2 ASP 24 -23.789 30.104 4.891 1.00 33.41 ATOM 356 CG ASP 24 -25.389 29.359 3.694 1.00 52.41 ATOM 357 OD1 ASP 24 -26.218 30.147 4.200 1.00 71.21 ATOM 358 OD2 ASP 24 -25.646 28.674 2.681 1.00 30.33 ATOM 359 C ASP 24 -22.635 27.715 5.875 1.00 44.54 ATOM 360 O ASP 24 -21.904 26.916 5.285 1.00 33.31 ATOM 361 N GLU 25 -22.265 28.334 6.995 1.00 12.43 ATOM 362 HN GLU 25 -22.825 29.056 7.348 1.00 37.00 ATOM 363 CA GLU 25 -21.027 27.975 7.695 1.00 42.13 ATOM 364 HA GLU 25 -20.198 28.160 7.027 1.00 5.03 ATOM 365 CB GLU 25 -20.853 28.817 8.964 1.00 63.02 ATOM 366 HB1 GLU 25 -19.943 28.505 9.457 1.00 37.00 ATOM 367 HB2 GLU 25 -21.687 28.622 9.623 1.00 2.30 ATOM 368 CG GLU 25 -20.777 30.322 8.738 1.00 24.03 ATOM 369 HG1 GLU 25 -20.723 30.811 9.701 1.00 37.00 ATOM 370 HG2 GLU 25 -21.676 30.637 8.230 1.00 21.24 ATOM 371 CD GLU 25 -19.576 30.748 7.912 1.00 21.10 ATOM 372 OE1 GLU 25 -19.776 31.280 6.800 1.00 40.32 ATOM 373 OE2 GLU 25 -18.430 30.566 8.377 1.00 54.43 ATOM 374 C GLU 25 -21.042 26.487 8.087 1.00 63.12 ATOM 375 O GLU 25 -20.082 25.753 7.843 1.00 21.21 ATOM 376 N ARG 26 -22.151 26.056 8.695 1.00 15.02 ATOM 377 HN ARG 26 -22.877 26.695 8.860 1.00 37.00 ATOM 378 CA ARG 26 -22.319 24.662 9.129 1.00 11.33 ATOM 379 HA ARG 26 -21.459 24.406 9.731 1.00 73.21 ATOM 380 CB ARG 26 -23.579 24.515 9.991 1.00 41.20 ATOM 381 HB1 ARG 26 -23.682 23.480 10.288 1.00 37.00 ATOM 382 HB2 ARG 26 -24.443 24.799 9.404 1.00 52.34 ATOM 383 CG ARG 26 -23.552 25.374 11.251 1.00 1.42 ATOM 384 HG1 ARG 26 -23.509 26.415 10.961 1.00 37.00 ATOM 385 HG2 ARG 26 -22.670 25.125 11.825 1.00 62.42 ATOM 386 CD ARG 26 -24.783 25.154 12.121 1.00 73.13 ATOM 387 HD1 ARG 26 -24.736 25.833 12.960 1.00 37.00 ATOM 388 HD2 ARG 26 -24.773 24.136 12.486 1.00 50.44 ATOM 389 NE ARG 26 -26.029 25.379 11.391 1.00 4.22 ATOM 390 HE ARG 26 -26.098 25.010 10.489 1.00 13.13 ATOM 391 CZ ARG 26 -27.063 26.011 11.879 1.00 10.00 ATOM 392 NH1 ARG 26 -27.024 26.538 13.060 1.00 10.21 ATOM 393 HH11 ARG 26 -26.195 26.467 13.614 1.00 64.20 ATOM 394 HH12 ARG 26 -27.823 27.017 13.412 1.00 70.10 ATOM 395 NH2 ARG 26 -28.148 26.110 11.182 1.00 15.12 ATOM 396 HH21 ARG 26 -28.195 25.705 10.272 1.00 11.04 ATOM 397 HH22 ARG 26 -28.938 26.589 11.564 1.00 5.13 ATOM 398 C ARG 26 -22.377 23.700 7.936 1.00 25.12 ATOM 399 O ARG 26 -21.938 22.554 8.031 1.00 63.04 ATOM 400 N ARG 27 -22.930 24.169 6.817 1.00 64.42 ATOM 401 HN ARG 27 -23.347 25.058 6.831 1.00 37.00 ATOM 402 CA ARG 27 -22.934 23.391 5.571 1.00 50.03 ATOM 403 HA ARG 27 -23.440 22.455 5.764 1.00 2.11 ATOM 404 CB ARG 27 -23.680 24.152 4.462 1.00 44.32 ATOM 405 HB1 ARG 27 -23.677 23.549 3.565 1.00 37.00 ATOM 406 HB2 ARG 27 -23.158 25.078 4.262 1.00 44.23 ATOM 407 CG ARG 27 -25.128 24.487 4.806 1.00 63.44 ATOM 408 HG1 ARG 27 -25.146 25.040 5.736 1.00 37.00 ATOM 409 HG2 ARG 27 -25.681 23.566 4.925 1.00 64.23 ATOM 410 CD ARG 27 -25.798 25.326 3.717 1.00 42.35 ATOM 411 HD1 ARG 27 -25.186 26.197 3.528 1.00 37.00 ATOM 412 HD2 ARG 27 -26.768 25.643 4.071 1.00 70.02 ATOM 413 NE ARG 27 -25.972 24.588 2.466 1.00 33.10 ATOM 414 HE ARG 27 -25.961 23.612 2.512 1.00 11.55 ATOM 415 CZ ARG 27 -26.179 25.144 1.299 1.00 3.40 ATOM 416 NH1 ARG 27 -26.157 26.431 1.148 1.00 20.11 ATOM 417 HH11 ARG 27 -25.983 27.031 1.931 1.00 45.34 ATOM 418 HH12 ARG 27 -26.315 26.823 0.242 1.00 11.12 ATOM 419 NH2 ARG 27 -26.384 24.401 0.266 1.00 11.13 ATOM 420 HH21 ARG 27 -26.390 23.408 0.358 1.00 14.20 ATOM 421 HH22 ARG 27 -26.548 24.826 -0.622 1.00 74.44 ATOM 422 C ARG 27 -21.493 23.096 5.125 1.00 74.34 ATOM 423 O ARG 27 -21.153 21.969 4.756 1.00 51.31 ATOM 424 N ALA 28 -20.651 24.127 5.183 1.00 33.14 ATOM 425 HN ALA 28 -20.994 25.002 5.473 1.00 37.00 ATOM 426 CA ALA 28 -19.237 24.009 4.822 1.00 50.33 ATOM 427 HA ALA 28 -19.187 23.652 3.802 1.00 32.14 ATOM 428 CB ALA 28 -18.570 25.380 4.872 1.00 71.12 ATOM 429 HB1 ALA 28 -18.593 25.754 5.886 1.00 15.41 ATOM 430 HB2 ALA 28 -19.099 26.064 4.224 1.00 71.22 ATOM 431 HB3 ALA 28 -17.544 25.293 4.544 1.00 31.21 ATOM 432 C ALA 28 -18.487 23.020 5.732 1.00 53.51 ATOM 433 O ALA 28 -17.901 22.048 5.254 1.00 32.04 ATOM 434 N LEU 29 -18.514 23.266 7.043 1.00 52.22 ATOM 435 HN LEU 29 -19.040 24.026 7.376 1.00 37.00 ATOM 436 CA LEU 29 -17.769 22.431 8.000 1.00 64.23 ATOM 437 HA LEU 29 -16.744 22.396 7.650 1.00 33.22 ATOM 438 CB LEU 29 -17.772 23.078 9.401 1.00 42.54 ATOM 439 HB1 LEU 29 -17.230 24.011 9.332 1.00 37.00 ATOM 440 HB2 LEU 29 -17.231 22.426 10.073 1.00 45.22 ATOM 441 CG LEU 29 -19.153 23.373 10.027 1.00 33.41 ATOM 442 HG LEU 29 -19.837 23.651 9.238 1.00 5.22 ATOM 443 CD1 LEU 29 -19.734 22.141 10.723 1.00 12.42 ATOM 444 HD11 LEU 29 -19.895 21.357 9.998 1.00 4.12 ATOM 445 HD12 LEU 29 -20.676 22.398 11.186 1.00 44.13 ATOM 446 HD13 LEU 29 -19.045 21.793 11.480 1.00 3.13 ATOM 447 CD2 LEU 29 -19.063 24.554 10.997 1.00 24.43 ATOM 448 HD21 LEU 29 -18.736 25.435 10.463 1.00 32.21 ATOM 449 HD22 LEU 29 -18.356 24.327 11.782 1.00 42.11 ATOM 450 HD23 LEU 29 -20.035 24.739 11.431 1.00 54.05 ATOM 451 C LEU 29 -18.296 20.982 8.044 1.00 55.23 ATOM 452 O LEU 29 -17.528 20.046 8.262 1.00 25.02 ATOM 453 N ALA 30 -19.600 20.799 7.818 1.00 14.23 ATOM 454 HN ALA 30 -20.182 21.581 7.710 1.00 37.00 ATOM 455 CA ALA 30 -20.186 19.451 7.746 1.00 71.40 ATOM 456 HA ALA 30 -19.925 18.930 8.657 1.00 72.01 ATOM 457 CB ALA 30 -21.708 19.524 7.659 1.00 71.51 ATOM 458 HB1 ALA 30 -22.092 20.061 8.513 1.00 73.03 ATOM 459 HB2 ALA 30 -22.117 18.524 7.649 1.00 11.22 ATOM 460 HB3 ALA 30 -21.997 20.038 6.753 1.00 31.12 ATOM 461 C ALA 30 -19.619 18.671 6.552 1.00 42.33 ATOM 462 O ALA 30 -19.241 17.501 6.670 1.00 54.24 ATOM 463 N MET 31 -19.556 19.330 5.398 1.00 73.24 ATOM 464 HN MET 31 -19.942 20.232 5.344 1.00 37.00 ATOM 465 CA MET 31 -18.940 18.744 4.204 1.00 11.13 ATOM 466 HA MET 31 -19.185 17.691 4.193 1.00 21.42 ATOM 467 CB MET 31 -19.512 19.394 2.940 1.00 51.04 ATOM 468 HB1 MET 31 -18.963 19.033 2.083 1.00 37.00 ATOM 469 HB2 MET 31 -19.390 20.466 3.009 1.00 22.20 ATOM 470 CG MET 31 -20.991 19.094 2.715 1.00 5.03 ATOM 471 HG1 MET 31 -21.328 19.644 1.848 1.00 37.00 ATOM 472 HG2 MET 31 -21.552 19.417 3.583 1.00 61.11 ATOM 473 SD MET 31 -21.306 17.338 2.442 1.00 72.04 ATOM 474 CE MET 31 -20.407 17.057 0.915 1.00 31.13 ATOM 475 HE1 MET 31 -20.540 16.031 0.605 1.00 53.53 ATOM 476 HE2 MET 31 -19.355 17.251 1.074 1.00 21.04 ATOM 477 HE3 MET 31 -20.784 17.716 0.148 1.00 23.25 ATOM 478 C MET 31 -17.409 18.882 4.240 1.00 10.21 ATOM 479 O MET 31 -16.720 18.472 3.307 1.00 1.22 ATOM 480 N LYS 32 -16.894 19.474 5.321 1.00 73.45 ATOM 481 HN LYS 32 -17.507 19.876 5.971 1.00 37.00 ATOM 482 CA LYS 32 -15.449 19.551 5.574 1.00 44.24 ATOM 483 HA LYS 32 -15.322 20.033 6.531 1.00 44.24 ATOM 484 CB LYS 32 -14.865 18.131 5.666 1.00 23.52 ATOM 485 HB1 LYS 32 -13.786 18.195 5.685 1.00 37.00 ATOM 486 HB2 LYS 32 -15.168 17.571 4.792 1.00 12.15 ATOM 487 CG LYS 32 -15.321 17.366 6.911 1.00 71.34 ATOM 488 HG1 LYS 32 -16.389 17.494 7.030 1.00 37.00 ATOM 489 HG2 LYS 32 -14.814 17.772 7.775 1.00 24.13 ATOM 490 CD LYS 32 -15.008 15.874 6.816 1.00 42.44 ATOM 491 HD1 LYS 32 -15.146 15.424 7.790 1.00 37.00 ATOM 492 HD2 LYS 32 -13.980 15.748 6.505 1.00 24.21 ATOM 493 CE LYS 32 -15.918 15.168 5.815 1.00 12.41 ATOM 494 HE1 LYS 32 -15.603 14.138 5.723 1.00 37.00 ATOM 495 HE2 LYS 32 -15.831 15.655 4.854 1.00 31.22 ATOM 496 NZ LYS 32 -17.343 15.199 6.245 1.00 32.44 ATOM 497 HZ1 LYS 32 -17.457 14.681 7.141 1.00 32.51 ATOM 498 HZ2 LYS 32 -17.947 14.752 5.524 1.00 62.14 ATOM 499 HZ3 LYS 32 -17.661 16.180 6.384 1.00 0.10 ATOM 500 C LYS 32 -14.705 20.393 4.520 1.00 1.44 ATOM 501 O LYS 32 -13.581 20.068 4.130 1.00 15.45 ATOM 502 N ILE 33 -15.327 21.495 4.098 1.00 24.10 ATOM 503 HN ILE 33 -16.228 21.683 4.428 1.00 37.00 ATOM 504 CA ILE 33 -14.703 22.438 3.159 1.00 61.34 ATOM 505 HA ILE 33 -14.350 21.873 2.307 1.00 51.41 ATOM 506 CB ILE 33 -15.733 23.487 2.655 1.00 22.13 ATOM 507 HB ILE 33 -16.113 24.018 3.515 1.00 72.43 ATOM 508 CG1 ILE 33 -16.911 22.793 1.943 1.00 43.13 ATOM 509 HG11 ILE 33 -17.621 23.542 1.620 1.00 37.00 ATOM 510 HG12 ILE 33 -17.399 22.124 2.638 1.00 24.22 ATOM 511 CG2 ILE 33 -15.071 24.513 1.731 1.00 0.11 ATOM 512 HG21 ILE 33 -14.636 24.007 0.881 1.00 20.00 ATOM 513 HG22 ILE 33 -14.296 25.041 2.270 1.00 64.44 ATOM 514 HG23 ILE 33 -15.812 25.221 1.388 1.00 34.52 ATOM 515 CD1 ILE 33 -16.511 21.980 0.729 1.00 10.23 ATOM 516 HD11 ILE 33 -17.393 21.544 0.283 1.00 11.30 ATOM 517 HD12 ILE 33 -15.832 21.195 1.028 1.00 64.11 ATOM 518 HD13 ILE 33 -16.025 22.623 0.009 1.00 20.11 ATOM 519 C ILE 33 -13.507 23.165 3.815 1.00 13.41 ATOM 520 O ILE 33 -13.672 23.880 4.806 1.00 42.34 ATOM 521 N PRO 34 -12.284 22.999 3.261 1.00 63.45 ATOM 522 CA PRO 34 -11.049 23.525 3.869 1.00 43.15 ATOM 523 HA PRO 34 -11.074 23.435 4.944 1.00 35.05 ATOM 524 CB PRO 34 -9.995 22.565 3.308 1.00 32.44 ATOM 525 HB1 PRO 34 -9.935 21.685 3.934 1.00 37.00 ATOM 526 HB2 PRO 34 -9.031 23.055 3.273 1.00 14.20 ATOM 527 CG PRO 34 -10.492 22.225 1.939 1.00 40.02 ATOM 528 HG1 PRO 34 -10.153 21.237 1.660 1.00 37.00 ATOM 529 HG2 PRO 34 -10.132 22.957 1.227 1.00 43.30 ATOM 530 CD PRO 34 -12.003 22.261 2.010 1.00 31.43 ATOM 531 HD1 PRO 34 -12.404 21.258 2.057 1.00 37.00 ATOM 532 HD2 PRO 34 -12.408 22.787 1.157 1.00 74.24 ATOM 533 C PRO 34 -10.710 24.987 3.496 1.00 51.05 ATOM 534 O PRO 34 -9.546 25.391 3.563 1.00 12.02 ATOM 535 N PHE 35 -11.718 25.781 3.128 1.00 2.24 ATOM 536 HN PHE 35 -12.622 25.410 3.071 1.00 37.00 ATOM 537 CA PHE 35 -11.509 27.207 2.809 1.00 32.12 ATOM 538 HA PHE 35 -10.688 27.550 3.427 1.00 70.32 ATOM 539 CB PHE 35 -11.110 27.386 1.329 1.00 51.12 ATOM 540 HB1 PHE 35 -10.094 27.038 1.200 1.00 37.00 ATOM 541 HB2 PHE 35 -11.148 28.438 1.081 1.00 4.41 ATOM 542 CG PHE 35 -11.980 26.649 0.336 1.00 60.44 ATOM 543 CD1 PHE 35 -11.667 25.351 -0.049 1.00 20.44 ATOM 544 HD1 PHE 35 -10.800 24.867 0.376 1.00 21.21 ATOM 545 CD2 PHE 35 -13.097 27.255 -0.221 1.00 11.34 ATOM 546 HD2 PHE 35 -13.355 28.264 0.070 1.00 63.24 ATOM 547 CE1 PHE 35 -12.449 24.676 -0.965 1.00 20.13 ATOM 548 HE1 PHE 35 -12.193 23.666 -1.254 1.00 11.33 ATOM 549 CE2 PHE 35 -13.882 26.580 -1.137 1.00 33.24 ATOM 550 HE2 PHE 35 -14.749 27.063 -1.565 1.00 24.45 ATOM 551 CZ PHE 35 -13.558 25.291 -1.509 1.00 35.45 ATOM 552 HZ PHE 35 -14.171 24.764 -2.226 1.00 32.24 ATOM 553 C PHE 35 -12.751 28.061 3.165 1.00 35.42 ATOM 554 O PHE 35 -13.880 27.566 3.144 1.00 34.32 ATOM 555 N PRO 36 -12.549 29.360 3.505 1.00 64.14 ATOM 556 CA PRO 36 -13.631 30.241 4.015 1.00 14.35 ATOM 557 HA PRO 36 -14.108 29.802 4.881 1.00 13.43 ATOM 558 CB PRO 36 -12.876 31.511 4.444 1.00 0.54 ATOM 559 HB1 PRO 36 -12.626 31.447 5.494 1.00 37.00 ATOM 560 HB2 PRO 36 -13.493 32.383 4.270 1.00 74.41 ATOM 561 CG PRO 36 -11.651 31.524 3.592 1.00 64.14 ATOM 562 HG1 PRO 36 -10.861 32.072 4.088 1.00 37.00 ATOM 563 HG2 PRO 36 -11.874 31.972 2.633 1.00 0.33 ATOM 564 CD PRO 36 -11.259 30.078 3.417 1.00 51.44 ATOM 565 HD1 PRO 36 -10.591 29.768 4.208 1.00 37.00 ATOM 566 HD2 PRO 36 -10.797 29.926 2.452 1.00 24.51 ATOM 567 C PRO 36 -14.716 30.583 2.970 1.00 63.43 ATOM 568 O PRO 36 -14.430 30.771 1.786 1.00 64.02 ATOM 569 N THR 37 -15.961 30.703 3.442 1.00 72.04 ATOM 570 HN THR 37 -16.109 30.614 4.410 1.00 37.00 ATOM 571 CA THR 37 -17.122 30.965 2.571 1.00 33.52 ATOM 572 HA THR 37 -17.094 30.259 1.754 1.00 11.25 ATOM 573 CB THR 37 -18.449 30.763 3.335 1.00 61.03 ATOM 574 HB THR 37 -19.272 30.950 2.658 1.00 41.04 ATOM 575 OG1 THR 37 -18.523 31.697 4.423 1.00 74.41 ATOM 576 HG1 THR 37 -19.319 31.520 4.943 1.00 71.32 ATOM 577 CG2 THR 37 -18.570 29.337 3.870 1.00 33.00 ATOM 578 HG21 THR 37 -18.573 28.639 3.045 1.00 53.11 ATOM 579 HG22 THR 37 -19.489 29.237 4.429 1.00 14.32 ATOM 580 HG23 THR 37 -17.732 29.123 4.518 1.00 31.22 ATOM 581 C THR 37 -17.119 32.388 1.996 1.00 13.22 ATOM 582 O THR 37 -17.417 32.589 0.818 1.00 0.03 ATOM 583 N ASP 38 -16.806 33.376 2.836 1.00 64.14 ATOM 584 HN ASP 38 -16.624 33.161 3.773 1.00 37.00 ATOM 585 CA ASP 38 -16.757 34.779 2.398 1.00 74.32 ATOM 586 HA ASP 38 -17.768 35.077 2.160 1.00 32.14 ATOM 587 CB ASP 38 -16.234 35.673 3.529 1.00 53.51 ATOM 588 HB1 ASP 38 -15.249 35.335 3.819 1.00 37.00 ATOM 589 HB2 ASP 38 -16.898 35.593 4.378 1.00 5.30 ATOM 590 CG ASP 38 -16.144 37.136 3.122 1.00 15.31 ATOM 591 OD1 ASP 38 -17.177 37.842 3.166 1.00 72.13 ATOM 592 OD2 ASP 38 -15.041 37.586 2.748 1.00 34.32 ATOM 593 C ASP 38 -15.890 34.946 1.137 1.00 42.30 ATOM 594 O ASP 38 -16.284 35.626 0.186 1.00 62.32 ATOM 595 N LYS 39 -14.714 34.317 1.132 1.00 31.12 ATOM 596 HN LYS 39 -14.424 33.841 1.938 1.00 37.00 ATOM 597 CA LYS 39 -13.844 34.325 -0.049 1.00 60.13 ATOM 598 HA LYS 39 -13.575 35.354 -0.250 1.00 75.42 ATOM 599 CB LYS 39 -12.561 33.518 0.212 1.00 54.33 ATOM 600 HB1 LYS 39 -12.834 32.532 0.564 1.00 37.00 ATOM 601 HB2 LYS 39 -11.986 34.017 0.980 1.00 42.44 ATOM 602 CG LYS 39 -11.679 33.359 -1.028 1.00 1.32 ATOM 603 HG1 LYS 39 -11.444 34.341 -1.416 1.00 37.00 ATOM 604 HG2 LYS 39 -12.228 32.805 -1.775 1.00 40.13 ATOM 605 CD LYS 39 -10.377 32.618 -0.737 1.00 0.44 ATOM 606 HD1 LYS 39 -9.865 32.432 -1.671 1.00 37.00 ATOM 607 HD2 LYS 39 -10.607 31.676 -0.262 1.00 42.01 ATOM 608 CE LYS 39 -9.457 33.415 0.178 1.00 73.15 ATOM 609 HE1 LYS 39 -9.922 33.502 1.149 1.00 37.00 ATOM 610 HE2 LYS 39 -9.313 34.399 -0.242 1.00 12.43 ATOM 611 NZ LYS 39 -8.133 32.763 0.336 1.00 44.40 ATOM 612 HZ1 LYS 39 -7.649 32.706 -0.584 1.00 10.02 ATOM 613 HZ2 LYS 39 -8.247 31.800 0.714 1.00 2.23 ATOM 614 HZ3 LYS 39 -7.542 33.313 0.991 1.00 62.12 ATOM 615 C LYS 39 -14.581 33.763 -1.275 1.00 42.22 ATOM 616 O LYS 39 -14.593 34.381 -2.336 1.00 62.01 ATOM 617 N ILE 40 -15.211 32.600 -1.105 1.00 10.13 ATOM 618 HN ILE 40 -15.157 32.159 -0.232 1.00 37.00 ATOM 619 CA ILE 40 -15.989 31.954 -2.176 1.00 24.22 ATOM 620 HA ILE 40 -15.296 31.564 -2.909 1.00 25.30 ATOM 621 CB ILE 40 -16.817 30.771 -1.607 1.00 30.34 ATOM 622 HB ILE 40 -17.476 31.165 -0.844 1.00 63.43 ATOM 623 CG1 ILE 40 -15.893 29.722 -0.967 1.00 23.42 ATOM 624 HG11 ILE 40 -15.276 30.202 -0.219 1.00 37.00 ATOM 625 HG12 ILE 40 -15.258 29.293 -1.728 1.00 75.20 ATOM 626 CG2 ILE 40 -17.688 30.139 -2.690 1.00 53.12 ATOM 627 HG21 ILE 40 -18.249 29.317 -2.269 1.00 1.43 ATOM 628 HG22 ILE 40 -17.063 29.775 -3.491 1.00 12.01 ATOM 629 HG23 ILE 40 -18.373 30.879 -3.078 1.00 24.12 ATOM 630 CD1 ILE 40 -16.636 28.584 -0.293 1.00 34.30 ATOM 631 HD11 ILE 40 -17.215 28.041 -1.028 1.00 20.00 ATOM 632 HD12 ILE 40 -17.297 28.982 0.463 1.00 72.45 ATOM 633 HD13 ILE 40 -15.925 27.916 0.168 1.00 13.23 ATOM 634 C ILE 40 -16.948 32.947 -2.864 1.00 3.44 ATOM 635 O ILE 40 -17.009 33.029 -4.095 1.00 20.32 ATOM 636 N VAL 41 -17.686 33.700 -2.054 1.00 51.41 ATOM 637 HN VAL 41 -17.591 33.582 -1.084 1.00 37.00 ATOM 638 CA VAL 41 -18.639 34.696 -2.561 1.00 21.31 ATOM 639 HA VAL 41 -19.277 34.211 -3.287 1.00 15.43 ATOM 640 CB VAL 41 -19.532 35.234 -1.412 1.00 63.21 ATOM 641 HB VAL 41 -18.896 35.770 -0.717 1.00 52.40 ATOM 642 CG1 VAL 41 -20.582 36.211 -1.941 1.00 44.24 ATOM 643 HG11 VAL 41 -21.222 35.706 -2.652 1.00 34.24 ATOM 644 HG12 VAL 41 -20.092 37.042 -2.430 1.00 73.11 ATOM 645 HG13 VAL 41 -21.178 36.580 -1.120 1.00 2.11 ATOM 646 CG2 VAL 41 -20.192 34.081 -0.653 1.00 25.51 ATOM 647 HG21 VAL 41 -20.812 34.478 0.139 1.00 64.44 ATOM 648 HG22 VAL 41 -19.429 33.446 -0.225 1.00 15.20 ATOM 649 HG23 VAL 41 -20.802 33.502 -1.331 1.00 31.31 ATOM 650 C VAL 41 -17.926 35.883 -3.236 1.00 53.04 ATOM 651 O VAL 41 -18.385 36.405 -4.256 1.00 60.43 ATOM 652 N ASN 42 -16.797 36.290 -2.669 1.00 62.25 ATOM 653 HN ASN 42 -16.425 35.764 -1.928 1.00 37.00 ATOM 654 CA ASN 42 -16.091 37.500 -3.106 1.00 1.13 ATOM 655 HA ASN 42 -16.821 38.157 -3.558 1.00 70.33 ATOM 656 CB ASN 42 -15.509 38.202 -1.877 1.00 64.01 ATOM 657 HB1 ASN 42 -14.915 39.047 -2.195 1.00 37.00 ATOM 658 HB2 ASN 42 -14.883 37.511 -1.333 1.00 3.41 ATOM 659 CG ASN 42 -16.604 38.702 -0.948 1.00 10.02 ATOM 660 OD1 ASN 42 -17.622 39.221 -1.394 1.00 14.21 ATOM 661 ND2 ASN 42 -16.430 38.511 0.345 1.00 51.13 ATOM 662 HD21 ASN 42 -15.613 38.060 0.643 1.00 64.14 ATOM 663 HD22 ASN 42 -17.134 38.814 0.955 1.00 3.04 ATOM 664 C ASN 42 -14.992 37.218 -4.149 1.00 20.40 ATOM 665 O ASN 42 -14.284 38.135 -4.573 1.00 44.31 ATOM 666 N LEU 43 -14.845 35.960 -4.561 1.00 64.12 ATOM 667 HN LEU 43 -15.363 35.252 -4.126 1.00 37.00 ATOM 668 CA LEU 43 -13.905 35.608 -5.637 1.00 30.41 ATOM 669 HA LEU 43 -13.019 36.215 -5.506 1.00 73.44 ATOM 670 CB LEU 43 -13.505 34.124 -5.561 1.00 65.34 ATOM 671 HB1 LEU 43 -13.099 33.834 -6.521 1.00 37.00 ATOM 672 HB2 LEU 43 -14.401 33.545 -5.385 1.00 70.54 ATOM 673 CG LEU 43 -12.477 33.757 -4.481 1.00 3.31 ATOM 674 HG LEU 43 -12.885 34.001 -3.510 1.00 33.22 ATOM 675 CD1 LEU 43 -12.193 32.258 -4.500 1.00 51.21 ATOM 676 HD11 LEU 43 -11.490 32.014 -3.716 1.00 51.43 ATOM 677 HD12 LEU 43 -11.773 31.979 -5.457 1.00 42.35 ATOM 678 HD13 LEU 43 -13.113 31.712 -4.340 1.00 5.23 ATOM 679 CD2 LEU 43 -11.185 34.554 -4.665 1.00 34.24 ATOM 680 HD21 LEU 43 -10.473 34.269 -3.904 1.00 52.12 ATOM 681 HD22 LEU 43 -11.395 35.611 -4.580 1.00 31.43 ATOM 682 HD23 LEU 43 -10.769 34.348 -5.642 1.00 11.12 ATOM 683 C LEU 43 -14.493 35.890 -7.030 1.00 33.51 ATOM 684 O LEU 43 -15.685 35.663 -7.277 1.00 51.45 ATOM 685 N PRO 44 -13.660 36.387 -7.968 1.00 71.30 ATOM 686 CA PRO 44 -14.047 36.515 -9.382 1.00 43.25 ATOM 687 HA PRO 44 -14.969 37.068 -9.498 1.00 52.31 ATOM 688 CB PRO 44 -12.877 37.300 -9.994 1.00 35.51 ATOM 689 HB1 PRO 44 -13.091 38.359 -9.966 1.00 37.00 ATOM 690 HB2 PRO 44 -12.718 36.987 -11.018 1.00 31.31 ATOM 691 CG PRO 44 -11.717 36.955 -9.124 1.00 11.02 ATOM 692 HG1 PRO 44 -10.964 37.728 -9.178 1.00 37.00 ATOM 693 HG2 PRO 44 -11.300 36.001 -9.424 1.00 13.22 ATOM 694 CD PRO 44 -12.280 36.864 -7.732 1.00 54.01 ATOM 695 HD1 PRO 44 -12.282 37.835 -7.258 1.00 37.00 ATOM 696 HD2 PRO 44 -11.719 36.154 -7.141 1.00 11.23 ATOM 697 C PRO 44 -14.180 35.137 -10.050 1.00 65.24 ATOM 698 O PRO 44 -13.610 34.154 -9.572 1.00 73.11 ATOM 699 N VAL 45 -14.915 35.064 -11.158 1.00 1.24 ATOM 700 HN VAL 45 -15.309 35.884 -11.529 1.00 37.00 ATOM 701 CA VAL 45 -15.142 33.784 -11.843 1.00 44.12 ATOM 702 HA VAL 45 -15.686 33.144 -11.161 1.00 1.01 ATOM 703 CB VAL 45 -16.008 33.973 -13.117 1.00 41.42 ATOM 704 HB VAL 45 -16.919 34.479 -12.826 1.00 34.22 ATOM 705 CG1 VAL 45 -15.299 34.850 -14.148 1.00 42.55 ATOM 706 HG11 VAL 45 -14.367 34.387 -14.440 1.00 1.43 ATOM 707 HG12 VAL 45 -15.096 35.822 -13.718 1.00 64.13 ATOM 708 HG13 VAL 45 -15.929 34.967 -15.018 1.00 24.24 ATOM 709 CG2 VAL 45 -16.395 32.624 -13.720 1.00 75.53 ATOM 710 HG21 VAL 45 -16.957 32.052 -12.995 1.00 11.52 ATOM 711 HG22 VAL 45 -15.502 32.080 -13.993 1.00 32.40 ATOM 712 HG23 VAL 45 -17.002 32.783 -14.600 1.00 42.35 ATOM 713 C VAL 45 -13.815 33.091 -12.211 1.00 54.14 ATOM 714 O VAL 45 -13.707 31.864 -12.172 1.00 31.33 ATOM 715 N ASP 46 -12.798 33.893 -12.527 1.00 54.11 ATOM 716 HN ASP 46 -12.927 34.864 -12.475 1.00 37.00 ATOM 717 CA ASP 46 -11.492 33.378 -12.962 1.00 11.12 ATOM 718 HA ASP 46 -11.654 32.736 -13.816 1.00 24.25 ATOM 719 CB ASP 46 -10.602 34.551 -13.383 1.00 74.13 ATOM 720 HB1 ASP 46 -9.749 34.171 -13.930 1.00 37.00 ATOM 721 HB2 ASP 46 -10.254 35.067 -12.499 1.00 61.12 ATOM 722 CG ASP 46 -11.336 35.548 -14.262 1.00 44.14 ATOM 723 OD1 ASP 46 -12.063 36.404 -13.712 1.00 1.51 ATOM 724 OD2 ASP 46 -11.196 35.487 -15.501 1.00 42.50 ATOM 725 C ASP 46 -10.792 32.567 -11.855 1.00 25.23 ATOM 726 O ASP 46 -10.561 31.364 -12.002 1.00 53.24 ATOM 727 N ASP 47 -10.469 33.232 -10.744 1.00 62.11 ATOM 728 HN ASP 47 -10.686 34.187 -10.685 1.00 37.00 ATOM 729 CA ASP 47 -9.784 32.588 -9.616 1.00 1.11 ATOM 730 HA ASP 47 -8.907 32.091 -10.007 1.00 41.11 ATOM 731 CB ASP 47 -9.336 33.645 -8.602 1.00 60.35 ATOM 732 HB1 ASP 47 -8.922 33.152 -7.732 1.00 37.00 ATOM 733 HB2 ASP 47 -10.192 34.234 -8.302 1.00 44.43 ATOM 734 CG ASP 47 -8.284 34.578 -9.176 1.00 21.32 ATOM 735 OD1 ASP 47 -7.080 34.260 -9.073 1.00 25.43 ATOM 736 OD2 ASP 47 -8.654 35.626 -9.744 1.00 30.20 ATOM 737 C ASP 47 -10.670 31.540 -8.923 1.00 61.31 ATOM 738 O ASP 47 -10.170 30.551 -8.384 1.00 53.01 ATOM 739 N PHE 48 -11.984 31.761 -8.939 1.00 63.01 ATOM 740 HN PHE 48 -12.327 32.574 -9.371 1.00 37.00 ATOM 741 CA PHE 48 -12.932 30.830 -8.319 1.00 64.43 ATOM 742 HA PHE 48 -12.653 30.727 -7.279 1.00 22.20 ATOM 743 CB PHE 48 -14.359 31.395 -8.391 1.00 22.14 ATOM 744 HB1 PHE 48 -14.603 31.611 -9.423 1.00 37.00 ATOM 745 HB2 PHE 48 -14.406 32.312 -7.818 1.00 54.14 ATOM 746 CG PHE 48 -15.402 30.454 -7.849 1.00 53.34 ATOM 747 CD1 PHE 48 -16.349 29.881 -8.687 1.00 13.24 ATOM 748 HD1 PHE 48 -16.345 30.126 -9.740 1.00 62.42 ATOM 749 CD2 PHE 48 -15.423 30.128 -6.500 1.00 3.14 ATOM 750 HD2 PHE 48 -14.693 30.566 -5.836 1.00 73.43 ATOM 751 CE1 PHE 48 -17.295 29.007 -8.189 1.00 11.44 ATOM 752 HE1 PHE 48 -18.027 28.568 -8.851 1.00 24.35 ATOM 753 CE2 PHE 48 -16.367 29.256 -5.999 1.00 74.34 ATOM 754 HE2 PHE 48 -16.372 29.009 -4.948 1.00 54.51 ATOM 755 CZ PHE 48 -17.303 28.694 -6.843 1.00 75.12 ATOM 756 HZ PHE 48 -18.042 28.008 -6.451 1.00 21.32 ATOM 757 C PHE 48 -12.882 29.441 -8.979 1.00 23.34 ATOM 758 O PHE 48 -12.694 28.426 -8.302 1.00 1.31 ATOM 759 N ASN 49 -13.049 29.400 -10.301 1.00 40.24 ATOM 760 HN ASN 49 -13.201 30.240 -10.789 1.00 37.00 ATOM 761 CA ASN 49 -13.019 28.136 -11.047 1.00 31.13 ATOM 762 HA ASN 49 -13.828 27.520 -10.679 1.00 40.51 ATOM 763 CB ASN 49 -13.236 28.393 -12.543 1.00 34.21 ATOM 764 HB1 ASN 49 -13.158 27.458 -13.080 1.00 37.00 ATOM 765 HB2 ASN 49 -12.473 29.071 -12.899 1.00 55.43 ATOM 766 CG ASN 49 -14.594 29.004 -12.837 1.00 12.10 ATOM 767 OD1 ASN 49 -15.568 28.770 -12.128 1.00 13.43 ATOM 768 ND2 ASN 49 -14.674 29.787 -13.893 1.00 63.12 ATOM 769 HD21 ASN 49 -13.865 29.930 -14.425 1.00 61.23 ATOM 770 HD22 ASN 49 -15.537 30.193 -14.098 1.00 51.41 ATOM 771 C ASN 49 -11.695 27.385 -10.833 1.00 23.22 ATOM 772 O ASN 49 -11.659 26.152 -10.826 1.00 60.43 ATOM 773 N GLU 50 -10.609 28.134 -10.666 1.00 41.12 ATOM 774 HN GLU 50 -10.693 29.110 -10.719 1.00 37.00 ATOM 775 CA GLU 50 -9.290 27.542 -10.418 1.00 11.15 ATOM 776 HA GLU 50 -9.163 26.720 -11.109 1.00 34.54 ATOM 777 CB GLU 50 -8.190 28.581 -10.678 1.00 43.13 ATOM 778 HB1 GLU 50 -7.226 28.117 -10.524 1.00 37.00 ATOM 779 HB2 GLU 50 -8.305 29.392 -9.971 1.00 51.22 ATOM 780 CG GLU 50 -8.222 29.168 -12.087 1.00 74.21 ATOM 781 HG1 GLU 50 -7.440 29.910 -12.171 1.00 37.00 ATOM 782 HG2 GLU 50 -9.180 29.644 -12.241 1.00 1.03 ATOM 783 CD GLU 50 -8.021 28.121 -13.177 1.00 12.41 ATOM 784 OE1 GLU 50 -9.014 27.491 -13.606 1.00 22.14 ATOM 785 OE2 GLU 50 -6.868 27.929 -13.617 1.00 11.20 ATOM 786 C GLU 50 -9.182 26.999 -8.985 1.00 22.43 ATOM 787 O GLU 50 -8.609 25.930 -8.759 1.00 43.05 ATOM 788 N LEU 51 -9.748 27.735 -8.026 1.00 74.23 ATOM 789 HN LEU 51 -10.172 28.586 -8.269 1.00 37.00 ATOM 790 CA LEU 51 -9.759 27.313 -6.618 1.00 70.31 ATOM 791 HA LEU 51 -8.739 27.326 -6.258 1.00 41.01 ATOM 792 CB LEU 51 -10.600 28.289 -5.780 1.00 13.02 ATOM 793 HB1 LEU 51 -11.617 28.260 -6.148 1.00 37.00 ATOM 794 HB2 LEU 51 -10.211 29.287 -5.934 1.00 53.44 ATOM 795 CG LEU 51 -10.626 28.008 -4.267 1.00 23.00 ATOM 796 HG LEU 51 -10.852 26.962 -4.109 1.00 31.32 ATOM 797 CD1 LEU 51 -9.262 28.284 -3.643 1.00 64.33 ATOM 798 HD11 LEU 51 -9.310 28.111 -2.578 1.00 53.24 ATOM 799 HD12 LEU 51 -8.982 29.311 -3.828 1.00 23.12 ATOM 800 HD13 LEU 51 -8.525 27.627 -4.081 1.00 24.23 ATOM 801 CD2 LEU 51 -11.711 28.831 -3.579 1.00 24.33 ATOM 802 HD21 LEU 51 -11.519 29.883 -3.735 1.00 24.35 ATOM 803 HD22 LEU 51 -11.709 28.618 -2.519 1.00 42.30 ATOM 804 HD23 LEU 51 -12.674 28.575 -3.994 1.00 10.53 ATOM 805 C LEU 51 -10.321 25.889 -6.470 1.00 34.31 ATOM 806 O LEU 51 -9.735 25.044 -5.795 1.00 53.11 ATOM 807 N LEU 52 -11.454 25.638 -7.125 1.00 42.20 ATOM 808 HN LEU 52 -11.866 26.359 -7.649 1.00 37.00 ATOM 809 CA LEU 52 -12.109 24.323 -7.085 1.00 14.15 ATOM 810 HA LEU 52 -12.419 24.143 -6.066 1.00 13.04 ATOM 811 CB LEU 52 -13.354 24.328 -7.987 1.00 43.45 ATOM 812 HB1 LEU 52 -13.812 23.350 -7.938 1.00 37.00 ATOM 813 HB2 LEU 52 -13.033 24.503 -9.004 1.00 34.22 ATOM 814 CG LEU 52 -14.424 25.375 -7.632 1.00 63.50 ATOM 815 HG LEU 52 -13.984 26.359 -7.692 1.00 51.42 ATOM 816 CD1 LEU 52 -15.584 25.322 -8.624 1.00 10.43 ATOM 817 HD11 LEU 52 -15.211 25.495 -9.622 1.00 40.22 ATOM 818 HD12 LEU 52 -16.308 26.086 -8.375 1.00 72.12 ATOM 819 HD13 LEU 52 -16.056 24.351 -8.579 1.00 15.12 ATOM 820 CD2 LEU 52 -14.922 25.169 -6.203 1.00 43.11 ATOM 821 HD21 LEU 52 -15.359 24.184 -6.112 1.00 53.12 ATOM 822 HD22 LEU 52 -15.666 25.916 -5.968 1.00 62.54 ATOM 823 HD23 LEU 52 -14.093 25.259 -5.516 1.00 63.25 ATOM 824 C LEU 52 -11.154 23.195 -7.520 1.00 54.54 ATOM 825 O LEU 52 -11.040 22.168 -6.851 1.00 3.03 ATOM 826 N ALA 53 -10.455 23.405 -8.634 1.00 42.44 ATOM 827 HN ALA 53 -10.551 24.262 -9.100 1.00 37.00 ATOM 828 CA ALA 53 -9.545 22.392 -9.185 1.00 34.15 ATOM 829 HA ALA 53 -10.068 21.445 -9.186 1.00 5.15 ATOM 830 CB ALA 53 -9.204 22.737 -10.631 1.00 23.14 ATOM 831 HB1 ALA 53 -8.655 23.668 -10.662 1.00 72.24 ATOM 832 HB2 ALA 53 -10.116 22.838 -11.203 1.00 52.32 ATOM 833 HB3 ALA 53 -8.600 21.949 -11.057 1.00 44.53 ATOM 834 C ALA 53 -8.260 22.243 -8.353 1.00 34.52 ATOM 835 O ALA 53 -7.528 21.262 -8.494 1.00 34.14 ATOM 836 N ARG 54 -7.986 23.217 -7.490 1.00 20.22 ATOM 837 HN ARG 54 -8.605 23.976 -7.416 1.00 37.00 ATOM 838 CA ARG 54 -6.780 23.188 -6.648 1.00 62.55 ATOM 839 HA ARG 54 -5.987 22.738 -7.228 1.00 43.33 ATOM 840 CB ARG 54 -6.363 24.618 -6.278 1.00 1.53 ATOM 841 HB1 ARG 54 -5.588 24.573 -5.526 1.00 37.00 ATOM 842 HB2 ARG 54 -7.220 25.133 -5.868 1.00 63.31 ATOM 843 CG ARG 54 -5.836 25.427 -7.460 1.00 14.35 ATOM 844 HG1 ARG 54 -6.559 25.382 -8.264 1.00 37.00 ATOM 845 HG2 ARG 54 -4.903 24.994 -7.794 1.00 43.24 ATOM 846 CD ARG 54 -5.594 26.889 -7.092 1.00 75.33 ATOM 847 HD1 ARG 54 -6.544 27.345 -6.848 1.00 37.00 ATOM 848 HD2 ARG 54 -5.166 27.396 -7.946 1.00 30.22 ATOM 849 NE ARG 54 -4.690 27.041 -5.952 1.00 13.41 ATOM 850 HE ARG 54 -4.619 26.294 -5.324 1.00 71.14 ATOM 851 CZ ARG 54 -3.989 28.115 -5.711 1.00 62.32 ATOM 852 NH1 ARG 54 -4.011 29.120 -6.532 1.00 24.20 ATOM 853 HH11 ARG 54 -4.567 29.074 -7.361 1.00 21.31 ATOM 854 HH12 ARG 54 -3.472 29.936 -6.338 1.00 41.22 ATOM 855 NH2 ARG 54 -3.249 28.169 -4.655 1.00 72.01 ATOM 856 HH21 ARG 54 -3.216 27.389 -4.031 1.00 43.33 ATOM 857 HH22 ARG 54 -2.711 28.985 -4.464 1.00 0.25 ATOM 858 C ARG 54 -6.980 22.353 -5.372 1.00 1.43 ATOM 859 O ARG 54 -6.017 22.057 -4.660 1.00 55.12 ATOM 860 N TYR 55 -8.221 21.973 -5.084 1.00 51.22 ATOM 861 HN TYR 55 -8.950 22.226 -5.693 1.00 37.00 ATOM 862 CA TYR 55 -8.535 21.185 -3.883 1.00 71.43 ATOM 863 HA TYR 55 -7.610 21.011 -3.350 1.00 45.21 ATOM 864 CB TYR 55 -9.486 21.979 -2.971 1.00 10.45 ATOM 865 HB1 TYR 55 -9.882 21.318 -2.211 1.00 37.00 ATOM 866 HB2 TYR 55 -10.302 22.364 -3.564 1.00 55.54 ATOM 867 CG TYR 55 -8.821 23.155 -2.273 1.00 53.35 ATOM 868 CD1 TYR 55 -8.445 23.072 -0.934 1.00 44.34 ATOM 869 HD1 TYR 55 -8.642 22.161 -0.386 1.00 51.22 ATOM 870 CD2 TYR 55 -8.555 24.341 -2.952 1.00 2.15 ATOM 871 HD2 TYR 55 -8.837 24.426 -3.990 1.00 43.34 ATOM 872 CE1 TYR 55 -7.832 24.136 -0.297 1.00 74.11 ATOM 873 HE1 TYR 55 -7.548 24.052 0.743 1.00 25.00 ATOM 874 CE2 TYR 55 -7.944 25.405 -2.319 1.00 24.40 ATOM 875 HE2 TYR 55 -7.746 26.317 -2.865 1.00 23.54 ATOM 876 CZ TYR 55 -7.583 25.298 -0.995 1.00 30.15 ATOM 877 OH TYR 55 -6.970 26.359 -0.367 1.00 11.24 ATOM 878 HH TYR 55 -6.221 26.036 0.148 1.00 74.04 ATOM 879 C TYR 55 -9.154 19.819 -4.239 1.00 11.25 ATOM 880 O TYR 55 -9.798 19.668 -5.277 1.00 24.25 ATOM 881 N PRO 56 -8.973 18.799 -3.369 1.00 45.22 ATOM 882 CA PRO 56 -9.516 17.441 -3.595 1.00 44.14 ATOM 883 HA PRO 56 -9.318 17.098 -4.602 1.00 43.25 ATOM 884 CB PRO 56 -8.711 16.593 -2.596 1.00 60.33 ATOM 885 HB1 PRO 56 -7.800 16.246 -3.064 1.00 37.00 ATOM 886 HB2 PRO 56 -9.301 15.745 -2.274 1.00 64.42 ATOM 887 CG PRO 56 -8.422 17.526 -1.468 1.00 2.41 ATOM 888 HG1 PRO 56 -7.525 17.213 -0.951 1.00 37.00 ATOM 889 HG2 PRO 56 -9.259 17.550 -0.783 1.00 54.14 ATOM 890 CD PRO 56 -8.217 18.883 -2.098 1.00 61.35 ATOM 891 HD1 PRO 56 -7.166 19.059 -2.289 1.00 37.00 ATOM 892 HD2 PRO 56 -8.620 19.659 -1.462 1.00 5.13 ATOM 893 C PRO 56 -11.032 17.337 -3.311 1.00 64.12 ATOM 894 O PRO 56 -11.495 16.392 -2.661 1.00 34.21 ATOM 895 N LEU 57 -11.802 18.293 -3.831 1.00 33.23 ATOM 896 HN LEU 57 -11.389 18.973 -4.404 1.00 37.00 ATOM 897 CA LEU 57 -13.248 18.355 -3.588 1.00 50.52 ATOM 898 HA LEU 57 -13.416 18.151 -2.539 1.00 1.44 ATOM 899 CB LEU 57 -13.777 19.761 -3.910 1.00 0.33 ATOM 900 HB1 LEU 57 -14.838 19.779 -3.703 1.00 37.00 ATOM 901 HB2 LEU 57 -13.634 19.941 -4.968 1.00 55.30 ATOM 902 CG LEU 57 -13.117 20.913 -3.134 1.00 23.34 ATOM 903 HG LEU 57 -12.053 20.899 -3.330 1.00 52.24 ATOM 904 CD1 LEU 57 -13.659 22.258 -3.612 1.00 51.30 ATOM 905 HD11 LEU 57 -14.729 22.294 -3.464 1.00 73.41 ATOM 906 HD12 LEU 57 -13.438 22.382 -4.662 1.00 3.15 ATOM 907 HD13 LEU 57 -13.191 23.055 -3.052 1.00 22.14 ATOM 908 CD2 LEU 57 -13.321 20.747 -1.626 1.00 61.11 ATOM 909 HD21 LEU 57 -12.842 19.835 -1.296 1.00 1.22 ATOM 910 HD22 LEU 57 -14.377 20.698 -1.405 1.00 50.22 ATOM 911 HD23 LEU 57 -12.883 21.589 -1.108 1.00 12.44 ATOM 912 C LEU 57 -14.016 17.314 -4.421 1.00 21.04 ATOM 913 O LEU 57 -13.600 16.946 -5.523 1.00 50.42 ATOM 914 N THR 58 -15.135 16.840 -3.881 1.00 34.43 ATOM 915 HN THR 58 -15.389 17.141 -2.984 1.00 37.00 ATOM 916 CA THR 58 -16.003 15.880 -4.582 1.00 31.33 ATOM 917 HA THR 58 -15.388 15.277 -5.239 1.00 41.14 ATOM 918 CB THR 58 -16.732 14.939 -3.592 1.00 54.21 ATOM 919 HB THR 58 -17.247 14.174 -4.158 1.00 74.32 ATOM 920 OG1 THR 58 -17.700 15.681 -2.828 1.00 43.41 ATOM 921 HG1 THR 58 -17.955 15.166 -2.052 1.00 72.33 ATOM 922 CG2 THR 58 -15.749 14.262 -2.643 1.00 15.11 ATOM 923 HG21 THR 58 -15.227 15.012 -2.066 1.00 2.03 ATOM 924 HG22 THR 58 -15.035 13.685 -3.212 1.00 33.13 ATOM 925 HG23 THR 58 -16.288 13.606 -1.974 1.00 12.12 ATOM 926 C THR 58 -17.067 16.603 -5.415 1.00 45.54 ATOM 927 O THR 58 -17.362 17.774 -5.172 1.00 2.14 ATOM 928 N GLU 59 -17.667 15.897 -6.375 1.00 34.34 ATOM 929 HN GLU 59 -17.377 14.974 -6.540 1.00 37.00 ATOM 930 CA GLU 59 -18.734 16.472 -7.210 1.00 60.43 ATOM 931 HA GLU 59 -18.292 17.268 -7.794 1.00 4.15 ATOM 932 CB GLU 59 -19.297 15.412 -8.171 1.00 72.54 ATOM 933 HB1 GLU 59 -20.187 15.806 -8.643 1.00 37.00 ATOM 934 HB2 GLU 59 -19.563 14.533 -7.602 1.00 72.14 ATOM 935 CG GLU 59 -18.321 14.989 -9.268 1.00 62.51 ATOM 936 HG1 GLU 59 -17.444 14.560 -8.803 1.00 37.00 ATOM 937 HG2 GLU 59 -18.033 15.865 -9.832 1.00 62.21 ATOM 938 CD GLU 59 -18.915 13.970 -10.232 1.00 4.33 ATOM 939 OE1 GLU 59 -19.947 14.276 -10.869 1.00 5.32 ATOM 940 OE2 GLU 59 -18.350 12.863 -10.367 1.00 22.20 ATOM 941 C GLU 59 -19.873 17.071 -6.361 1.00 11.34 ATOM 942 O GLU 59 -20.622 17.933 -6.827 1.00 64.23 ATOM 943 N SER 60 -20.003 16.607 -5.119 1.00 0.52 ATOM 944 HN SER 60 -19.445 15.855 -4.834 1.00 37.00 ATOM 945 CA SER 60 -20.970 17.178 -4.170 1.00 24.22 ATOM 946 HA SER 60 -21.874 17.416 -4.716 1.00 14.44 ATOM 947 CB SER 60 -21.305 16.164 -3.066 1.00 52.31 ATOM 948 HB1 SER 60 -22.070 16.577 -2.421 1.00 37.00 ATOM 949 HB2 SER 60 -20.418 15.960 -2.485 1.00 0.44 ATOM 950 OG SER 60 -21.781 14.944 -3.613 1.00 21.21 ATOM 951 HG SER 60 -22.505 14.612 -3.071 1.00 22.25 ATOM 952 C SER 60 -20.421 18.463 -3.532 1.00 74.41 ATOM 953 O SER 60 -21.153 19.428 -3.310 1.00 20.33 ATOM 954 N GLN 61 -19.122 18.467 -3.242 1.00 75.44 ATOM 955 HN GLN 61 -18.582 17.675 -3.460 1.00 37.00 ATOM 956 CA GLN 61 -18.471 19.621 -2.615 1.00 20.23 ATOM 957 HA GLN 61 -19.090 19.913 -1.776 1.00 23.12 ATOM 958 CB GLN 61 -17.088 19.224 -2.074 1.00 34.14 ATOM 959 HB1 GLN 61 -16.526 20.121 -1.855 1.00 37.00 ATOM 960 HB2 GLN 61 -16.565 18.656 -2.833 1.00 4.32 ATOM 961 CG GLN 61 -17.158 18.379 -0.800 1.00 12.43 ATOM 962 HG1 GLN 61 -17.806 17.533 -0.981 1.00 37.00 ATOM 963 HG2 GLN 61 -17.577 18.984 -0.008 1.00 3.11 ATOM 964 CD GLN 61 -15.802 17.860 -0.343 1.00 3.12 ATOM 965 OE1 GLN 61 -14.927 17.578 -1.149 1.00 5.14 ATOM 966 NE2 GLN 61 -15.616 17.731 0.956 1.00 33.22 ATOM 967 HE21 GLN 61 -16.349 17.977 1.557 1.00 11.22 ATOM 968 HE22 GLN 61 -14.745 17.404 1.267 1.00 31.44 ATOM 969 C GLN 61 -18.372 20.827 -3.571 1.00 51.15 ATOM 970 O GLN 61 -18.641 21.954 -3.164 1.00 5.21 ATOM 971 N LEU 62 -18.001 20.597 -4.838 1.00 64.23 ATOM 972 HN LEU 62 -17.730 19.691 -5.105 1.00 37.00 ATOM 973 CA LEU 62 -17.988 21.690 -5.834 1.00 72.05 ATOM 974 HA LEU 62 -17.303 22.445 -5.475 1.00 32.22 ATOM 975 CB LEU 62 -17.513 21.210 -7.222 1.00 40.34 ATOM 976 HB1 LEU 62 -17.782 21.966 -7.948 1.00 37.00 ATOM 977 HB2 LEU 62 -18.053 20.304 -7.467 1.00 15.22 ATOM 978 CG LEU 62 -16.004 20.926 -7.364 1.00 22.34 ATOM 979 HG LEU 62 -15.452 21.682 -6.822 1.00 34.41 ATOM 980 CD1 LEU 62 -15.637 19.577 -6.766 1.00 63.32 ATOM 981 HD11 LEU 62 -14.570 19.423 -6.851 1.00 54.34 ATOM 982 HD12 LEU 62 -16.156 18.792 -7.297 1.00 72.20 ATOM 983 HD13 LEU 62 -15.921 19.556 -5.725 1.00 25.23 ATOM 984 CD2 LEU 62 -15.574 20.997 -8.830 1.00 34.41 ATOM 985 HD21 LEU 62 -16.111 20.255 -9.401 1.00 21.23 ATOM 986 HD22 LEU 62 -14.511 20.809 -8.904 1.00 40.43 ATOM 987 HD23 LEU 62 -15.792 21.980 -9.222 1.00 74.31 ATOM 988 C LEU 62 -19.383 22.327 -5.968 1.00 12.34 ATOM 989 O LEU 62 -19.513 23.533 -6.208 1.00 32.42 ATOM 990 N ALA 63 -20.421 21.506 -5.827 1.00 14.14 ATOM 991 HN ALA 63 -20.256 20.548 -5.719 1.00 37.00 ATOM 992 CA ALA 63 -21.803 21.992 -5.839 1.00 13.54 ATOM 993 HA ALA 63 -21.948 22.562 -6.748 1.00 13.44 ATOM 994 CB ALA 63 -22.777 20.817 -5.857 1.00 2.41 ATOM 995 HB1 ALA 63 -23.789 21.188 -5.931 1.00 15.20 ATOM 996 HB2 ALA 63 -22.670 20.244 -4.948 1.00 1.53 ATOM 997 HB3 ALA 63 -22.564 20.184 -6.707 1.00 30.03 ATOM 998 C ALA 63 -22.075 22.898 -4.634 1.00 20.44 ATOM 999 O ALA 63 -22.582 24.007 -4.787 1.00 24.33 ATOM 1000 N LEU 64 -21.717 22.422 -3.440 1.00 54.42 ATOM 1001 HN LEU 64 -21.329 21.522 -3.383 1.00 37.00 ATOM 1002 CA LEU 64 -21.900 23.200 -2.209 1.00 71.31 ATOM 1003 HA LEU 64 -22.958 23.383 -2.093 1.00 42.41 ATOM 1004 CB LEU 64 -21.398 22.414 -0.993 1.00 43.43 ATOM 1005 HB1 LEU 64 -20.352 22.190 -1.144 1.00 37.00 ATOM 1006 HB2 LEU 64 -21.944 21.481 -0.942 1.00 72.54 ATOM 1007 CG LEU 64 -21.546 23.144 0.354 1.00 33.20 ATOM 1008 HG LEU 64 -21.120 24.132 0.261 1.00 65.04 ATOM 1009 CD1 LEU 64 -23.018 23.308 0.726 1.00 70.31 ATOM 1010 HD11 LEU 64 -23.477 22.335 0.831 1.00 40.44 ATOM 1011 HD12 LEU 64 -23.526 23.863 -0.048 1.00 74.13 ATOM 1012 HD13 LEU 64 -23.095 23.845 1.661 1.00 34.04 ATOM 1013 CD2 LEU 64 -20.790 22.416 1.459 1.00 12.05 ATOM 1014 HD21 LEU 64 -19.744 22.353 1.200 1.00 53.44 ATOM 1015 HD22 LEU 64 -21.193 21.421 1.576 1.00 32.33 ATOM 1016 HD23 LEU 64 -20.898 22.958 2.389 1.00 43.12 ATOM 1017 C LEU 64 -21.169 24.550 -2.274 1.00 55.54 ATOM 1018 O LEU 64 -21.729 25.582 -1.914 1.00 3.25 ATOM 1019 N VAL 65 -19.916 24.535 -2.724 1.00 30.33 ATOM 1020 HN VAL 65 -19.507 23.677 -2.969 1.00 37.00 ATOM 1021 CA VAL 65 -19.126 25.767 -2.854 1.00 35.31 ATOM 1022 HA VAL 65 -19.014 26.191 -1.866 1.00 50.33 ATOM 1023 CB VAL 65 -17.715 25.468 -3.417 1.00 34.52 ATOM 1024 HB VAL 65 -17.830 25.003 -4.387 1.00 44.41 ATOM 1025 CG1 VAL 65 -16.910 26.753 -3.596 1.00 33.11 ATOM 1026 HG11 VAL 65 -16.799 27.247 -2.641 1.00 44.32 ATOM 1027 HG12 VAL 65 -17.423 27.411 -4.283 1.00 13.41 ATOM 1028 HG13 VAL 65 -15.933 26.514 -3.990 1.00 34.01 ATOM 1029 CG2 VAL 65 -16.967 24.496 -2.508 1.00 23.00 ATOM 1030 HG21 VAL 65 -17.530 23.579 -2.415 1.00 24.14 ATOM 1031 HG22 VAL 65 -16.842 24.941 -1.532 1.00 2.51 ATOM 1032 HG23 VAL 65 -15.996 24.281 -2.931 1.00 43.13 ATOM 1033 C VAL 65 -19.834 26.794 -3.756 1.00 13.11 ATOM 1034 O VAL 65 -19.963 27.969 -3.405 1.00 12.30 ATOM 1035 N ARG 66 -20.306 26.338 -4.914 1.00 71.20 ATOM 1036 HN ARG 66 -20.155 25.397 -5.152 1.00 37.00 ATOM 1037 CA ARG 66 -21.043 27.204 -5.842 1.00 2.43 ATOM 1038 HA ARG 66 -20.479 28.122 -5.940 1.00 31.34 ATOM 1039 CB ARG 66 -21.140 26.540 -7.225 1.00 34.22 ATOM 1040 HB1 ARG 66 -21.826 27.110 -7.838 1.00 37.00 ATOM 1041 HB2 ARG 66 -21.522 25.535 -7.108 1.00 32.34 ATOM 1042 CG ARG 66 -19.797 26.467 -7.949 1.00 64.11 ATOM 1043 HG1 ARG 66 -19.091 25.941 -7.320 1.00 37.00 ATOM 1044 HG2 ARG 66 -19.442 27.472 -8.122 1.00 51.43 ATOM 1045 CD ARG 66 -19.895 25.748 -9.291 1.00 3.34 ATOM 1046 HD1 ARG 66 -18.968 25.894 -9.828 1.00 37.00 ATOM 1047 HD2 ARG 66 -20.707 26.179 -9.860 1.00 54.14 ATOM 1048 NE ARG 66 -20.134 24.315 -9.140 1.00 34.11 ATOM 1049 HE ARG 66 -20.337 23.983 -8.244 1.00 25.41 ATOM 1050 CZ ARG 66 -20.082 23.454 -10.126 1.00 22.52 ATOM 1051 NH1 ARG 66 -19.820 23.842 -11.334 1.00 62.54 ATOM 1052 HH11 ARG 66 -19.656 24.807 -11.527 1.00 21.50 ATOM 1053 HH12 ARG 66 -19.790 23.172 -12.074 1.00 1.31 ATOM 1054 NH2 ARG 66 -20.290 22.199 -9.901 1.00 61.02 ATOM 1055 HH21 ARG 66 -20.494 21.881 -8.978 1.00 14.14 ATOM 1056 HH22 ARG 66 -20.240 21.542 -10.653 1.00 62.31 ATOM 1057 C ARG 66 -22.443 27.551 -5.304 1.00 4.11 ATOM 1058 O ARG 66 -23.013 28.588 -5.654 1.00 72.33 ATOM 1059 N ASP 67 -22.983 26.686 -4.450 1.00 22.33 ATOM 1060 HN ASP 67 -22.502 25.855 -4.251 1.00 37.00 ATOM 1061 CA ASP 67 -24.278 26.924 -3.807 1.00 22.24 ATOM 1062 HA ASP 67 -24.988 27.196 -4.576 1.00 74.12 ATOM 1063 CB ASP 67 -24.749 25.642 -3.113 1.00 63.53 ATOM 1064 HB1 ASP 67 -24.130 25.466 -2.244 1.00 37.00 ATOM 1065 HB2 ASP 67 -24.636 24.812 -3.796 1.00 14.42 ATOM 1066 CG ASP 67 -26.200 25.702 -2.667 1.00 43.05 ATOM 1067 OD1 ASP 67 -27.041 25.010 -3.275 1.00 71.44 ATOM 1068 OD2 ASP 67 -26.511 26.424 -1.697 1.00 61.50 ATOM 1069 C ASP 67 -24.176 28.072 -2.789 1.00 21.31 ATOM 1070 O ASP 67 -24.898 29.063 -2.881 1.00 2.21 ATOM 1071 N ILE 68 -23.266 27.925 -1.824 1.00 11.32 ATOM 1072 HN ILE 68 -22.750 27.096 -1.787 1.00 37.00 ATOM 1073 CA ILE 68 -23.022 28.957 -0.812 1.00 73.01 ATOM 1074 HA ILE 68 -23.941 29.100 -0.257 1.00 3.32 ATOM 1075 CB ILE 68 -21.914 28.516 0.185 1.00 63.54 ATOM 1076 HB ILE 68 -21.017 28.311 -0.382 1.00 24.54 ATOM 1077 CG1 ILE 68 -22.341 27.233 0.925 1.00 60.34 ATOM 1078 HG11 ILE 68 -22.528 26.453 0.200 1.00 37.00 ATOM 1079 HG12 ILE 68 -23.248 27.428 1.476 1.00 52.24 ATOM 1080 CG2 ILE 68 -21.594 29.635 1.180 1.00 51.33 ATOM 1081 HG21 ILE 68 -21.221 30.497 0.645 1.00 3.14 ATOM 1082 HG22 ILE 68 -20.843 29.295 1.878 1.00 63.02 ATOM 1083 HG23 ILE 68 -22.490 29.908 1.720 1.00 75.30 ATOM 1084 CD1 ILE 68 -21.310 26.711 1.909 1.00 53.20 ATOM 1085 HD11 ILE 68 -21.668 25.792 2.350 1.00 74.41 ATOM 1086 HD12 ILE 68 -21.150 27.443 2.688 1.00 15.42 ATOM 1087 HD13 ILE 68 -20.379 26.525 1.395 1.00 32.13 ATOM 1088 C ILE 68 -22.631 30.292 -1.469 1.00 34.13 ATOM 1089 O ILE 68 -23.027 31.366 -1.008 1.00 11.24 ATOM 1090 N ARG 69 -21.870 30.220 -2.560 1.00 2.50 ATOM 1091 HN ARG 69 -21.527 29.346 -2.848 1.00 37.00 ATOM 1092 CA ARG 69 -21.519 31.417 -3.329 1.00 4.22 ATOM 1093 HA ARG 69 -20.981 32.089 -2.673 1.00 44.21 ATOM 1094 CB ARG 69 -20.618 31.043 -4.511 1.00 24.53 ATOM 1095 HB1 ARG 69 -21.206 30.506 -5.243 1.00 37.00 ATOM 1096 HB2 ARG 69 -19.827 30.397 -4.156 1.00 71.22 ATOM 1097 CG ARG 69 -19.978 32.244 -5.200 1.00 5.14 ATOM 1098 HG1 ARG 69 -19.391 32.794 -4.475 1.00 37.00 ATOM 1099 HG2 ARG 69 -20.759 32.883 -5.589 1.00 25.12 ATOM 1100 CD ARG 69 -19.074 31.819 -6.351 1.00 24.53 ATOM 1101 HD1 ARG 69 -19.686 31.379 -7.126 1.00 37.00 ATOM 1102 HD2 ARG 69 -18.374 31.080 -5.988 1.00 15.23 ATOM 1103 NE ARG 69 -18.324 32.941 -6.914 1.00 71.43 ATOM 1104 HE ARG 69 -17.690 33.400 -6.325 1.00 30.14 ATOM 1105 CZ ARG 69 -18.429 33.347 -8.152 1.00 72.42 ATOM 1106 NH1 ARG 69 -19.279 32.793 -8.957 1.00 44.40 ATOM 1107 HH11 ARG 69 -19.861 32.054 -8.635 1.00 50.23 ATOM 1108 HH12 ARG 69 -19.341 33.105 -9.905 1.00 5.14 ATOM 1109 NH2 ARG 69 -17.695 34.320 -8.582 1.00 21.32 ATOM 1110 HH21 ARG 69 -17.041 34.762 -7.970 1.00 1.31 ATOM 1111 HH22 ARG 69 -17.787 34.631 -9.526 1.00 74.43 ATOM 1112 C ARG 69 -22.786 32.124 -3.840 1.00 50.54 ATOM 1113 O ARG 69 -22.886 33.350 -3.805 1.00 35.15 ATOM 1114 N ARG 70 -23.751 31.336 -4.316 1.00 45.03 ATOM 1115 HN ARG 70 -23.585 30.370 -4.384 1.00 37.00 ATOM 1116 CA ARG 70 -25.055 31.864 -4.734 1.00 31.31 ATOM 1117 HA ARG 70 -24.885 32.652 -5.454 1.00 51.11 ATOM 1118 CB ARG 70 -25.883 30.747 -5.393 1.00 1.32 ATOM 1119 HB1 ARG 70 -26.109 29.996 -4.647 1.00 37.00 ATOM 1120 HB2 ARG 70 -25.288 30.290 -6.172 1.00 74.13 ATOM 1121 CG ARG 70 -27.198 31.212 -6.013 1.00 11.41 ATOM 1122 HG1 ARG 70 -27.774 31.730 -5.259 1.00 37.00 ATOM 1123 HG2 ARG 70 -27.749 30.346 -6.353 1.00 65.51 ATOM 1124 CD ARG 70 -26.974 32.149 -7.198 1.00 11.42 ATOM 1125 HD1 ARG 70 -26.511 33.058 -6.839 1.00 37.00 ATOM 1126 HD2 ARG 70 -27.935 32.387 -7.635 1.00 21.13 ATOM 1127 NE ARG 70 -26.115 31.547 -8.225 1.00 52.15 ATOM 1128 HE ARG 70 -25.476 30.868 -7.936 1.00 21.40 ATOM 1129 CZ ARG 70 -26.133 31.878 -9.491 1.00 41.42 ATOM 1130 NH1 ARG 70 -27.014 32.715 -9.940 1.00 21.04 ATOM 1131 HH11 ARG 70 -27.686 33.106 -9.319 1.00 62.11 ATOM 1132 HH12 ARG 70 -27.021 32.965 -10.908 1.00 41.23 ATOM 1133 NH2 ARG 70 -25.297 31.330 -10.313 1.00 51.53 ATOM 1134 HH21 ARG 70 -24.644 30.653 -9.984 1.00 32.23 ATOM 1135 HH22 ARG 70 -25.302 31.593 -11.277 1.00 13.24 ATOM 1136 C ARG 70 -25.805 32.444 -3.522 1.00 10.24 ATOM 1137 O ARG 70 -26.303 33.568 -3.559 1.00 52.55 ATOM 1138 N ARG 71 -25.843 31.667 -2.441 1.00 10.52 ATOM 1139 HN ARG 71 -25.441 30.776 -2.497 1.00 37.00 ATOM 1140 CA ARG 71 -26.456 32.081 -1.171 1.00 42.34 ATOM 1141 HA ARG 71 -27.526 32.109 -1.311 1.00 42.13 ATOM 1142 CB ARG 71 -26.121 31.048 -0.087 1.00 45.31 ATOM 1143 HB1 ARG 71 -26.413 31.445 0.877 1.00 37.00 ATOM 1144 HB2 ARG 71 -25.052 30.885 -0.085 1.00 53.13 ATOM 1145 CG ARG 71 -26.807 29.695 -0.277 1.00 44.23 ATOM 1146 HG1 ARG 71 -26.205 28.928 0.192 1.00 37.00 ATOM 1147 HG2 ARG 71 -26.893 29.487 -1.335 1.00 11.40 ATOM 1148 CD ARG 71 -28.198 29.682 0.345 1.00 43.02 ATOM 1149 HD1 ARG 71 -28.646 28.712 0.183 1.00 37.00 ATOM 1150 HD2 ARG 71 -28.802 30.443 -0.128 1.00 60.41 ATOM 1151 NE ARG 71 -28.129 29.939 1.783 1.00 1.02 ATOM 1152 HE ARG 71 -27.291 29.711 2.239 1.00 32.03 ATOM 1153 CZ ARG 71 -29.086 30.467 2.490 1.00 4.24 ATOM 1154 NH1 ARG 71 -30.225 30.757 1.947 1.00 24.44 ATOM 1155 HH11 ARG 71 -30.376 30.580 0.975 1.00 0.32 ATOM 1156 HH12 ARG 71 -30.946 31.166 2.496 1.00 24.04 ATOM 1157 NH2 ARG 71 -28.898 30.687 3.747 1.00 10.25 ATOM 1158 HH21 ARG 71 -28.017 30.455 4.163 1.00 13.10 ATOM 1159 HH22 ARG 71 -29.621 31.101 4.297 1.00 33.45 ATOM 1160 C ARG 71 -25.974 33.474 -0.721 1.00 34.04 ATOM 1161 O ARG 71 -26.729 34.237 -0.106 1.00 73.32 ATOM 1162 N GLY 72 -24.711 33.786 -1.011 1.00 65.34 ATOM 1163 HN GLY 72 -24.144 33.115 -1.448 1.00 37.00 ATOM 1164 CA GLY 72 -24.153 35.093 -0.669 1.00 4.21 ATOM 1165 HA1 GLY 72 -23.088 34.985 -0.524 1.00 37.00 ATOM 1166 HA2 GLY 72 -24.594 35.431 0.258 1.00 42.10 ATOM 1167 C GLY 72 -24.395 36.153 -1.743 1.00 71.13 ATOM 1168 O GLY 72 -24.856 37.257 -1.442 1.00 60.02 ATOM 1169 N LYS 73 -24.096 35.824 -3.002 1.00 43.20 ATOM 1170 HN LYS 73 -23.771 34.916 -3.195 1.00 37.00 ATOM 1171 CA LYS 73 -24.240 36.790 -4.102 1.00 60.54 ATOM 1172 HA LYS 73 -23.697 37.680 -3.812 1.00 73.02 ATOM 1173 CB LYS 73 -23.617 36.247 -5.398 1.00 61.41 ATOM 1174 HB1 LYS 73 -23.797 36.954 -6.196 1.00 37.00 ATOM 1175 HB2 LYS 73 -24.092 35.308 -5.647 1.00 62.33 ATOM 1176 CG LYS 73 -22.110 36.013 -5.293 1.00 4.21 ATOM 1177 HG1 LYS 73 -21.937 35.148 -4.667 1.00 37.00 ATOM 1178 HG2 LYS 73 -21.653 36.880 -4.836 1.00 52.00 ATOM 1179 CD LYS 73 -21.456 35.778 -6.654 1.00 33.30 ATOM 1180 HD1 LYS 73 -21.947 34.946 -7.139 1.00 37.00 ATOM 1181 HD2 LYS 73 -20.412 35.540 -6.504 1.00 54.31 ATOM 1182 CE LYS 73 -21.558 37.010 -7.551 1.00 23.44 ATOM 1183 HE1 LYS 73 -21.174 37.865 -7.016 1.00 37.00 ATOM 1184 HE2 LYS 73 -22.597 37.179 -7.795 1.00 44.51 ATOM 1185 NZ LYS 73 -20.790 36.850 -8.814 1.00 71.05 ATOM 1186 HZ1 LYS 73 -19.773 36.783 -8.609 1.00 70.35 ATOM 1187 HZ2 LYS 73 -20.954 37.668 -9.436 1.00 13.53 ATOM 1188 HZ3 LYS 73 -21.093 35.989 -9.310 1.00 73.03 ATOM 1189 C LYS 73 -25.708 37.191 -4.329 1.00 23.42 ATOM 1190 O LYS 73 -25.986 38.242 -4.903 1.00 23.44 ATOM 1191 N ASN 74 -26.641 36.354 -3.877 1.00 41.15 ATOM 1192 HN ASN 74 -26.370 35.465 -3.562 1.00 37.00 ATOM 1193 CA ASN 74 -28.066 36.717 -3.860 1.00 25.24 ATOM 1194 HA ASN 74 -28.363 36.943 -4.875 1.00 32.34 ATOM 1195 CB ASN 74 -28.904 35.541 -3.341 1.00 65.24 ATOM 1196 HB1 ASN 74 -29.885 35.900 -3.064 1.00 37.00 ATOM 1197 HB2 ASN 74 -28.422 35.120 -2.471 1.00 52.15 ATOM 1198 CG ASN 74 -29.071 34.437 -4.373 1.00 51.53 ATOM 1199 OD1 ASN 74 -28.306 34.333 -5.323 1.00 2.45 ATOM 1200 ND2 ASN 74 -30.058 33.587 -4.179 1.00 63.14 ATOM 1201 HD21 ASN 74 -30.623 33.706 -3.389 1.00 22.42 ATOM 1202 HD22 ASN 74 -30.180 32.867 -4.832 1.00 23.50 ATOM 1203 C ASN 74 -28.304 37.963 -2.986 1.00 33.21 ATOM 1204 O ASN 74 -29.114 38.831 -3.321 1.00 42.31 ATOM 1205 N LYS 75 -27.583 38.042 -1.869 1.00 4.50 ATOM 1206 HN LYS 75 -26.987 37.298 -1.636 1.00 37.00 ATOM 1207 CA LYS 75 -27.644 39.208 -0.980 1.00 11.40 ATOM 1208 HA LYS 75 -28.685 39.433 -0.793 1.00 64.51 ATOM 1209 CB LYS 75 -26.955 38.882 0.357 1.00 55.05 ATOM 1210 HB1 LYS 75 -25.932 38.591 0.158 1.00 37.00 ATOM 1211 HB2 LYS 75 -27.468 38.049 0.819 1.00 32.24 ATOM 1212 CG LYS 75 -26.936 40.039 1.351 1.00 42.22 ATOM 1213 HG1 LYS 75 -26.429 40.879 0.896 1.00 37.00 ATOM 1214 HG2 LYS 75 -26.396 39.730 2.235 1.00 13.12 ATOM 1215 CD LYS 75 -28.344 40.469 1.757 1.00 22.31 ATOM 1216 HD1 LYS 75 -28.863 39.618 2.177 1.00 37.00 ATOM 1217 HD2 LYS 75 -28.872 40.814 0.880 1.00 31.13 ATOM 1218 CE LYS 75 -28.319 41.592 2.789 1.00 31.30 ATOM 1219 HE1 LYS 75 -27.769 42.427 2.381 1.00 37.00 ATOM 1220 HE2 LYS 75 -27.822 41.237 3.679 1.00 34.21 ATOM 1221 NZ LYS 75 -29.688 42.045 3.150 1.00 53.53 ATOM 1222 HZ1 LYS 75 -30.245 41.246 3.517 1.00 62.10 ATOM 1223 HZ2 LYS 75 -30.169 42.432 2.313 1.00 70.03 ATOM 1224 HZ3 LYS 75 -29.639 42.783 3.882 1.00 10.40 ATOM 1225 C LYS 75 -26.979 40.430 -1.638 1.00 34.30 ATOM 1226 O LYS 75 -27.507 41.542 -1.592 1.00 10.14 ATOM 1227 N VAL 76 -25.822 40.206 -2.260 1.00 50.11 ATOM 1228 HN VAL 76 -25.446 39.300 -2.245 1.00 37.00 ATOM 1229 CA VAL 76 -25.089 41.271 -2.958 1.00 60.12 ATOM 1230 HA VAL 76 -24.888 42.059 -2.245 1.00 74.54 ATOM 1231 CB VAL 76 -23.732 40.751 -3.502 1.00 43.24 ATOM 1232 HB VAL 76 -23.940 40.001 -4.255 1.00 70.34 ATOM 1233 CG1 VAL 76 -22.939 41.878 -4.165 1.00 22.55 ATOM 1234 HG11 VAL 76 -22.749 42.659 -3.443 1.00 30.41 ATOM 1235 HG12 VAL 76 -23.507 42.284 -4.990 1.00 61.31 ATOM 1236 HG13 VAL 76 -21.999 41.493 -4.533 1.00 64.31 ATOM 1237 CG2 VAL 76 -22.917 40.092 -2.388 1.00 31.03 ATOM 1238 HG21 VAL 76 -23.477 39.267 -1.969 1.00 12.24 ATOM 1239 HG22 VAL 76 -22.711 40.816 -1.613 1.00 40.20 ATOM 1240 HG23 VAL 76 -21.984 39.723 -2.792 1.00 73.54 ATOM 1241 C VAL 76 -25.908 41.850 -4.127 1.00 11.40 ATOM 1242 O VAL 76 -25.979 43.067 -4.311 1.00 33.20 ATOM 1243 N ALA 77 -26.534 40.966 -4.902 1.00 4.12 ATOM 1244 HN ALA 77 -26.460 40.014 -4.684 1.00 37.00 ATOM 1245 CA ALA 77 -27.318 41.363 -6.079 1.00 2.31 ATOM 1246 HA ALA 77 -26.673 41.951 -6.719 1.00 64.04 ATOM 1247 CB ALA 77 -27.751 40.125 -6.860 1.00 14.13 ATOM 1248 HB1 ALA 77 -28.248 40.427 -7.771 1.00 53.04 ATOM 1249 HB2 ALA 77 -28.428 39.537 -6.260 1.00 14.32 ATOM 1250 HB3 ALA 77 -26.881 39.532 -7.105 1.00 31.24 ATOM 1251 C ALA 77 -28.540 42.216 -5.706 1.00 74.15 ATOM 1252 O ALA 77 -29.039 42.989 -6.522 1.00 73.05 ATOM 1253 N ALA 78 -29.032 42.058 -4.479 1.00 13.22 ATOM 1254 HN ALA 78 -28.648 41.369 -3.896 1.00 37.00 ATOM 1255 CA ALA 78 -30.135 42.884 -3.981 1.00 74.34 ATOM 1256 HA ALA 78 -30.920 42.877 -4.725 1.00 64.32 ATOM 1257 CB ALA 78 -30.692 42.292 -2.690 1.00 44.52 ATOM 1258 HB1 ALA 78 -31.535 42.881 -2.356 1.00 53.20 ATOM 1259 HB2 ALA 78 -29.925 42.300 -1.929 1.00 14.44 ATOM 1260 HB3 ALA 78 -31.012 41.275 -2.867 1.00 2.34 ATOM 1261 C ALA 78 -29.675 44.332 -3.756 1.00 73.50 ATOM 1262 O ALA 78 -30.425 45.285 -3.978 1.00 3.51 ATOM 1263 N GLN 79 -28.426 44.483 -3.319 1.00 24.44 ATOM 1264 HN GLN 79 -27.892 43.683 -3.127 1.00 37.00 ATOM 1265 CA GLN 79 -27.823 45.803 -3.118 1.00 14.04 ATOM 1266 HA GLN 79 -28.561 46.442 -2.651 1.00 71.30 ATOM 1267 CB GLN 79 -26.607 45.680 -2.187 1.00 24.12 ATOM 1268 HB1 GLN 79 -26.156 46.656 -2.072 1.00 37.00 ATOM 1269 HB2 GLN 79 -25.888 45.013 -2.640 1.00 10.15 ATOM 1270 CG GLN 79 -26.947 45.147 -0.800 1.00 52.13 ATOM 1271 HG1 GLN 79 -27.485 44.216 -0.911 1.00 37.00 ATOM 1272 HG2 GLN 79 -27.577 45.865 -0.296 1.00 25.42 ATOM 1273 CD GLN 79 -25.721 44.896 0.062 1.00 74.51 ATOM 1274 OE1 GLN 79 -24.691 45.543 -0.088 1.00 34.13 ATOM 1275 NE2 GLN 79 -25.828 43.960 0.982 1.00 53.45 ATOM 1276 HE21 GLN 79 -26.676 43.482 1.055 1.00 2.31 ATOM 1277 HE22 GLN 79 -25.053 43.789 1.557 1.00 44.01 ATOM 1278 C GLN 79 -27.397 46.429 -4.457 1.00 33.43 ATOM 1279 O GLN 79 -27.812 47.538 -4.805 1.00 32.54 ATOM 1280 N ASN 80 -26.574 45.706 -5.212 1.00 1.24 ATOM 1281 HN ASN 80 -26.302 44.819 -4.900 1.00 37.00 ATOM 1282 CA ASN 80 -26.071 46.192 -6.502 1.00 54.35 ATOM 1283 HA ASN 80 -26.290 47.250 -6.566 1.00 42.23 ATOM 1284 CB ASN 80 -24.549 46.000 -6.583 1.00 5.41 ATOM 1285 HB1 ASN 80 -24.325 44.942 -6.588 1.00 37.00 ATOM 1286 HB2 ASN 80 -24.088 46.452 -5.717 1.00 1.34 ATOM 1287 CG ASN 80 -23.941 46.624 -7.828 1.00 2.12 ATOM 1288 OD1 ASN 80 -23.600 47.801 -7.847 1.00 72.12 ATOM 1289 ND2 ASN 80 -23.800 45.840 -8.876 1.00 42.21 ATOM 1290 HD21 ASN 80 -24.095 44.910 -8.802 1.00 14.23 ATOM 1291 HD22 ASN 80 -23.388 46.219 -9.683 1.00 61.12 ATOM 1292 C ASN 80 -26.766 45.477 -7.675 1.00 14.42 ATOM 1293 O ASN 80 -26.288 44.453 -8.172 1.00 3.33 ATOM 1294 N TYR 81 -27.909 46.012 -8.096 1.00 62.21 ATOM 1295 HN TYR 81 -28.266 46.792 -7.627 1.00 37.00 ATOM 1296 CA TYR 81 -28.655 45.462 -9.233 1.00 1.11 ATOM 1297 HA TYR 81 -28.078 44.645 -9.649 1.00 21.50 ATOM 1298 CB TYR 81 -30.014 44.923 -8.769 1.00 24.42 ATOM 1299 HB1 TYR 81 -30.589 45.734 -8.343 1.00 37.00 ATOM 1300 HB2 TYR 81 -29.855 44.169 -8.013 1.00 75.53 ATOM 1301 CG TYR 81 -30.836 44.297 -9.883 1.00 62.31 ATOM 1302 CD1 TYR 81 -30.374 43.178 -10.569 1.00 50.24 ATOM 1303 HD1 TYR 81 -29.410 42.761 -10.307 1.00 15.10 ATOM 1304 CD2 TYR 81 -32.077 44.819 -10.243 1.00 61.24 ATOM 1305 HD2 TYR 81 -32.451 45.691 -9.726 1.00 1.13 ATOM 1306 CE1 TYR 81 -31.121 42.598 -11.577 1.00 31.51 ATOM 1307 HE1 TYR 81 -30.743 41.730 -12.095 1.00 52.14 ATOM 1308 CE2 TYR 81 -32.827 44.244 -11.253 1.00 74.40 ATOM 1309 HE2 TYR 81 -33.786 44.665 -11.519 1.00 13.22 ATOM 1310 CZ TYR 81 -32.346 43.135 -11.915 1.00 33.41 ATOM 1311 OH TYR 81 -33.094 42.549 -12.912 1.00 2.32 ATOM 1312 HH TYR 81 -33.180 41.605 -12.720 1.00 75.13 ATOM 1313 C TYR 81 -28.858 46.523 -10.321 1.00 50.12 ATOM 1314 O TYR 81 -29.201 47.671 -10.027 1.00 63.23 ATOM 1315 N ARG 82 -28.639 46.134 -11.574 1.00 20.22 ATOM 1316 HN ARG 82 -28.355 45.210 -11.742 1.00 37.00 ATOM 1317 CA ARG 82 -28.810 47.044 -12.711 1.00 4.33 ATOM 1318 HA ARG 82 -29.739 47.580 -12.560 1.00 13.31 ATOM 1319 CB ARG 82 -27.655 48.066 -12.780 1.00 70.12 ATOM 1320 HB1 ARG 82 -27.618 48.603 -11.842 1.00 37.00 ATOM 1321 HB2 ARG 82 -27.867 48.772 -13.571 1.00 13.33 ATOM 1322 CG ARG 82 -26.265 47.469 -13.041 1.00 53.41 ATOM 1323 HG1 ARG 82 -25.580 48.274 -13.269 1.00 37.00 ATOM 1324 HG2 ARG 82 -26.328 46.802 -13.888 1.00 12.42 ATOM 1325 CD ARG 82 -25.725 46.685 -11.846 1.00 14.14 ATOM 1326 HD1 ARG 82 -26.329 45.797 -11.710 1.00 37.00 ATOM 1327 HD2 ARG 82 -25.797 47.306 -10.964 1.00 22.45 ATOM 1328 NE ARG 82 -24.326 46.293 -12.031 1.00 73.10 ATOM 1329 HE ARG 82 -23.676 47.011 -12.192 1.00 13.10 ATOM 1330 CZ ARG 82 -23.883 45.062 -11.972 1.00 51.34 ATOM 1331 NH1 ARG 82 -24.696 44.073 -11.787 1.00 30.42 ATOM 1332 HH11 ARG 82 -25.674 44.240 -11.687 1.00 2.11 ATOM 1333 HH12 ARG 82 -24.343 43.143 -11.751 1.00 71.31 ATOM 1334 NH2 ARG 82 -22.620 44.822 -12.098 1.00 61.14 ATOM 1335 HH21 ARG 82 -21.980 45.576 -12.238 1.00 41.33 ATOM 1336 HH22 ARG 82 -22.286 43.882 -12.063 1.00 34.05 ATOM 1337 C ARG 82 -28.911 46.269 -14.036 1.00 23.32 ATOM 1338 O ARG 82 -28.128 45.355 -14.295 1.00 41.21 ATOM 1339 N LYS 83 -29.882 46.632 -14.868 1.00 21.44 ATOM 1340 HN LYS 83 -30.494 47.351 -14.603 1.00 37.00 ATOM 1341 CA LYS 83 -30.056 45.991 -16.178 1.00 10.54 ATOM 1342 HA LYS 83 -29.666 44.984 -16.110 1.00 13.23 ATOM 1343 CB LYS 83 -31.546 45.920 -16.547 1.00 42.54 ATOM 1344 HB1 LYS 83 -31.638 45.549 -17.559 1.00 37.00 ATOM 1345 HB2 LYS 83 -31.964 46.917 -16.502 1.00 13.50 ATOM 1346 CG LYS 83 -32.368 45.017 -15.630 1.00 15.34 ATOM 1347 HG1 LYS 83 -32.319 45.403 -14.621 1.00 37.00 ATOM 1348 HG2 LYS 83 -31.951 44.020 -15.654 1.00 74.21 ATOM 1349 CD LYS 83 -33.828 44.954 -16.066 1.00 73.15 ATOM 1350 HD1 LYS 83 -34.251 45.950 -16.021 1.00 37.00 ATOM 1351 HD2 LYS 83 -34.369 44.303 -15.392 1.00 61.34 ATOM 1352 CE LYS 83 -33.970 44.418 -17.486 1.00 64.44 ATOM 1353 HE1 LYS 83 -33.622 43.395 -17.510 1.00 37.00 ATOM 1354 HE2 LYS 83 -33.365 45.019 -18.149 1.00 3.15 ATOM 1355 NZ LYS 83 -35.378 44.460 -17.952 1.00 23.23 ATOM 1356 HZ1 LYS 83 -35.434 44.181 -18.954 1.00 14.21 ATOM 1357 HZ2 LYS 83 -35.760 45.422 -17.854 1.00 24.13 ATOM 1358 HZ3 LYS 83 -35.963 43.812 -17.391 1.00 73.03 ATOM 1359 C LYS 83 -29.284 46.744 -17.271 1.00 3.35 ATOM 1360 O LYS 83 -29.275 47.976 -17.301 1.00 13.45 ATOM 1361 N ARG 84 -28.633 45.999 -18.162 1.00 50.44 ATOM 1362 HN ARG 84 -28.647 45.024 -18.069 1.00 37.00 ATOM 1363 CA ARG 84 -27.890 46.596 -19.275 1.00 14.20 ATOM 1364 HA ARG 84 -28.479 47.416 -19.663 1.00 51.22 ATOM 1365 CB ARG 84 -26.539 47.144 -18.786 1.00 74.13 ATOM 1366 HB1 ARG 84 -26.722 47.856 -17.993 1.00 37.00 ATOM 1367 HB2 ARG 84 -26.054 47.654 -19.607 1.00 61.15 ATOM 1368 CG ARG 84 -25.586 46.071 -18.258 1.00 31.35 ATOM 1369 HG1 ARG 84 -25.390 45.358 -19.047 1.00 37.00 ATOM 1370 HG2 ARG 84 -26.053 45.565 -17.425 1.00 72.42 ATOM 1371 CD ARG 84 -24.263 46.667 -17.792 1.00 63.54 ATOM 1372 HD1 ARG 84 -24.445 47.281 -16.921 1.00 37.00 ATOM 1373 HD2 ARG 84 -23.860 47.283 -18.584 1.00 30.01 ATOM 1374 NE ARG 84 -23.288 45.632 -17.445 1.00 23.12 ATOM 1375 HE ARG 84 -23.595 44.882 -16.899 1.00 63.22 ATOM 1376 CZ ARG 84 -22.038 45.652 -17.821 1.00 13.14 ATOM 1377 NH1 ARG 84 -21.580 46.638 -18.519 1.00 54.13 ATOM 1378 HH11 ARG 84 -22.182 47.393 -18.770 1.00 51.24 ATOM 1379 HH12 ARG 84 -20.626 46.641 -18.813 1.00 53.51 ATOM 1380 NH2 ARG 84 -21.245 44.690 -17.479 1.00 65.14 ATOM 1381 HH21 ARG 84 -21.587 43.936 -16.928 1.00 21.44 ATOM 1382 HH22 ARG 84 -20.290 44.705 -17.775 1.00 62.12 ATOM 1383 C ARG 84 -27.664 45.579 -20.404 1.00 43.33 ATOM 1384 O ARG 84 -27.432 44.394 -20.151 1.00 33.24 ATOM 1385 N LYS 85 -27.748 46.047 -21.645 1.00 62.24 ATOM 1386 HN LYS 85 -28.006 46.982 -21.781 1.00 37.00 ATOM 1387 CA LYS 85 -27.475 45.206 -22.816 1.00 11.34 ATOM 1388 HA LYS 85 -27.976 44.258 -22.669 1.00 61.11 ATOM 1389 CB LYS 85 -28.033 45.874 -24.083 1.00 33.10 ATOM 1390 HB1 LYS 85 -27.759 45.278 -24.943 1.00 37.00 ATOM 1391 HB2 LYS 85 -27.591 46.856 -24.182 1.00 63.03 ATOM 1392 CG LYS 85 -29.554 46.031 -24.074 1.00 42.53 ATOM 1393 HG1 LYS 85 -29.853 46.498 -23.144 1.00 37.00 ATOM 1394 HG2 LYS 85 -30.006 45.052 -24.145 1.00 24.25 ATOM 1395 CD LYS 85 -30.046 46.884 -25.238 1.00 11.33 ATOM 1396 HD1 LYS 85 -31.126 46.922 -25.214 1.00 37.00 ATOM 1397 HD2 LYS 85 -29.723 46.431 -26.166 1.00 2.52 ATOM 1398 CE LYS 85 -29.498 48.307 -25.164 1.00 24.42 ATOM 1399 HE1 LYS 85 -28.421 48.272 -25.255 1.00 37.00 ATOM 1400 HE2 LYS 85 -29.762 48.733 -24.207 1.00 74.12 ATOM 1401 NZ LYS 85 -30.044 49.175 -26.241 1.00 43.15 ATOM 1402 HZ1 LYS 85 -29.630 50.127 -26.174 1.00 12.34 ATOM 1403 HZ2 LYS 85 -31.076 49.252 -26.151 1.00 2.12 ATOM 1404 HZ3 LYS 85 -29.816 48.775 -27.174 1.00 52.51 ATOM 1405 C LYS 85 -25.965 44.955 -22.968 1.00 42.22 ATOM 1406 O LYS 85 -25.178 45.898 -23.078 1.00 32.42 ATOM 1407 N LEU 86 -25.566 43.685 -22.968 1.00 63.03 ATOM 1408 HN LEU 86 -26.238 42.977 -22.902 1.00 37.00 ATOM 1409 CA LEU 86 -24.146 43.318 -23.067 1.00 33.41 ATOM 1410 HA LEU 86 -23.620 43.851 -22.285 1.00 42.21 ATOM 1411 CB LEU 86 -23.951 41.804 -22.844 1.00 51.21 ATOM 1412 HB1 LEU 86 -22.927 41.558 -23.086 1.00 37.00 ATOM 1413 HB2 LEU 86 -24.597 41.278 -23.533 1.00 54.11 ATOM 1414 CG LEU 86 -24.241 41.286 -21.420 1.00 25.34 ATOM 1415 HG LEU 86 -23.929 40.251 -21.360 1.00 55.15 ATOM 1416 CD1 LEU 86 -23.436 42.065 -20.382 1.00 75.22 ATOM 1417 HD11 LEU 86 -23.653 41.683 -19.395 1.00 13.42 ATOM 1418 HD12 LEU 86 -23.700 43.112 -20.429 1.00 13.31 ATOM 1419 HD13 LEU 86 -22.381 41.952 -20.586 1.00 23.13 ATOM 1420 CD2 LEU 86 -25.734 41.338 -21.099 1.00 73.05 ATOM 1421 HD21 LEU 86 -25.901 40.957 -20.101 1.00 2.15 ATOM 1422 HD22 LEU 86 -26.276 40.732 -21.809 1.00 33.04 ATOM 1423 HD23 LEU 86 -26.083 42.359 -21.157 1.00 24.03 ATOM 1424 C LEU 86 -23.550 43.734 -24.423 1.00 21.25 ATOM 1425 O LEU 86 -23.834 43.119 -25.455 1.00 4.21 ATOM 1426 N GLU 87 -22.725 44.779 -24.406 1.00 0.23 ATOM 1427 HN GLU 87 -22.517 45.200 -23.548 1.00 37.00 ATOM 1428 CA GLU 87 -22.115 45.318 -25.626 1.00 34.13 ATOM 1429 HA GLU 87 -22.921 45.618 -26.281 1.00 51.53 ATOM 1430 CB GLU 87 -21.256 46.562 -25.310 1.00 43.11 ATOM 1431 HB1 GLU 87 -21.906 47.344 -24.943 1.00 37.00 ATOM 1432 HB2 GLU 87 -20.792 46.905 -26.226 1.00 34.52 ATOM 1433 CG GLU 87 -20.149 46.336 -24.272 1.00 14.12 ATOM 1434 HG1 GLU 87 -19.317 46.988 -24.505 1.00 37.00 ATOM 1435 HG2 GLU 87 -19.819 45.310 -24.335 1.00 52.34 ATOM 1436 CD GLU 87 -20.595 46.612 -22.841 1.00 73.33 ATOM 1437 OE1 GLU 87 -20.300 47.713 -22.327 1.00 34.15 ATOM 1438 OE2 GLU 87 -21.250 45.746 -22.229 1.00 31.30 ATOM 1439 C GLU 87 -21.264 44.268 -26.359 1.00 70.52 ATOM 1440 O GLU 87 -20.300 43.730 -25.812 1.00 54.50 ATOM 1441 N THR 88 -21.633 43.973 -27.601 1.00 35.10 ATOM 1442 HN THR 88 -22.447 44.383 -27.967 1.00 37.00 ATOM 1443 CA THR 88 -20.856 43.048 -28.435 1.00 23.10 ATOM 1444 HA THR 88 -20.407 42.309 -27.783 1.00 64.40 ATOM 1445 CB THR 88 -21.750 42.307 -29.464 1.00 63.41 ATOM 1446 HB THR 88 -22.183 43.036 -30.133 1.00 70.34 ATOM 1447 OG1 THR 88 -22.810 41.609 -28.788 1.00 21.41 ATOM 1448 HG1 THR 88 -23.110 40.874 -29.342 1.00 0.31 ATOM 1449 CG2 THR 88 -20.938 41.312 -30.290 1.00 12.11 ATOM 1450 HG21 THR 88 -20.162 41.838 -30.828 1.00 10.14 ATOM 1451 HG22 THR 88 -21.588 40.813 -30.995 1.00 53.15 ATOM 1452 HG23 THR 88 -20.490 40.578 -29.635 1.00 12.14 ATOM 1453 C THR 88 -19.741 43.797 -29.177 1.00 13.03 ATOM 1454 O THR 88 -19.952 44.327 -30.269 1.00 14.44 ATOM 1455 N ILE 89 -18.560 43.858 -28.564 1.00 52.01 ATOM 1456 HN ILE 89 -18.450 43.416 -27.695 1.00 37.00 ATOM 1457 CA ILE 89 -17.421 44.576 -29.146 1.00 73.54 ATOM 1458 HA ILE 89 -17.768 45.555 -29.450 1.00 72.22 ATOM 1459 CB ILE 89 -16.293 44.766 -28.099 1.00 32.32 ATOM 1460 HB ILE 89 -15.930 43.787 -27.815 1.00 33.15 ATOM 1461 CG1 ILE 89 -16.842 45.479 -26.848 1.00 4.23 ATOM 1462 HG11 ILE 89 -17.661 44.899 -26.442 1.00 37.00 ATOM 1463 HG12 ILE 89 -17.207 46.457 -27.125 1.00 72.21 ATOM 1464 CG2 ILE 89 -15.123 45.545 -28.703 1.00 5.01 ATOM 1465 HG21 ILE 89 -14.741 45.013 -29.563 1.00 42.02 ATOM 1466 HG22 ILE 89 -14.338 45.646 -27.968 1.00 74.12 ATOM 1467 HG23 ILE 89 -15.458 46.527 -29.007 1.00 24.30 ATOM 1468 CD1 ILE 89 -15.819 45.665 -25.747 1.00 44.53 ATOM 1469 HD11 ILE 89 -16.278 46.173 -24.911 1.00 24.03 ATOM 1470 HD12 ILE 89 -14.993 46.256 -26.116 1.00 0.21 ATOM 1471 HD13 ILE 89 -15.455 44.700 -25.425 1.00 4.34 ATOM 1472 C ILE 89 -16.865 43.843 -30.379 1.00 42.31 ATOM 1473 O ILE 89 -16.872 44.379 -31.488 1.00 21.04 ATOM 1474 N VAL 90 -16.390 42.614 -30.179 1.00 60.14 ATOM 1475 HN VAL 90 -16.386 42.248 -29.270 1.00 37.00 ATOM 1476 CA VAL 90 -15.872 41.794 -31.282 1.00 20.12 ATOM 1477 HA VAL 90 -15.447 42.462 -32.021 1.00 73.33 ATOM 1478 CB VAL 90 -14.751 40.834 -30.799 1.00 50.14 ATOM 1479 HB VAL 90 -14.414 40.250 -31.646 1.00 12.11 ATOM 1480 CG1 VAL 90 -13.557 41.624 -30.269 1.00 53.11 ATOM 1481 HG11 VAL 90 -12.771 40.942 -29.977 1.00 43.15 ATOM 1482 HG12 VAL 90 -13.862 42.207 -29.412 1.00 72.03 ATOM 1483 HG13 VAL 90 -13.190 42.286 -31.041 1.00 31.41 ATOM 1484 CG2 VAL 90 -15.275 39.868 -29.734 1.00 71.34 ATOM 1485 HG21 VAL 90 -15.623 40.428 -28.878 1.00 43.41 ATOM 1486 HG22 VAL 90 -14.481 39.200 -29.427 1.00 15.23 ATOM 1487 HG23 VAL 90 -16.091 39.289 -30.141 1.00 25.02 ATOM 1488 C VAL 90 -16.995 40.977 -31.946 1.00 51.31 ATOM 1489 O VAL 90 -17.920 40.515 -31.274 1.00 32.03 ATOM 1490 N GLN 91 -16.905 40.804 -33.265 1.00 4.42 ATOM 1491 HN GLN 91 -16.128 41.173 -33.738 1.00 37.00 ATOM 1492 HA GLN 91 -18.900 40.414 -33.670 1.00 53.44 ATOM 1493 CB GLN 91 -17.833 40.449 -35.531 1.00 14.40 ATOM 1494 HB1 GLN 91 -18.494 39.800 -36.089 1.00 37.00 ATOM 1495 HB2 GLN 91 -16.818 40.274 -35.860 1.00 13.23 ATOM 1496 CG GLN 91 -18.198 41.894 -35.862 1.00 75.33 ATOM 1497 HG1 GLN 91 -19.191 42.099 -35.484 1.00 37.00 ATOM 1498 HG2 GLN 91 -18.199 42.015 -36.936 1.00 50.24 ATOM 1499 CD GLN 91 -17.235 42.908 -35.266 1.00 73.32 ATOM 1500 OE1 GLN 91 -17.421 43.377 -34.151 1.00 10.14 ATOM 1501 NE2 GLN 91 -16.198 43.247 -36.001 1.00 50.34 ATOM 1502 HE21 GLN 91 -16.102 42.839 -36.884 1.00 72.01 ATOM 1503 HE22 GLN 91 -15.570 43.903 -35.633 1.00 50.01 ATOM 1504 CA GLN 91 -17.935 40.089 -34.036 1.00 70.24 ATOM 1505 C GLN 91 -17.832 38.561 -33.852 1.00 15.34 ATOM 1506 OT1 GLN 91 -17.010 37.926 -34.551 1.00 37.00 ATOM 1507 OT2 GLN 91 -18.570 38.002 -33.010 1.00 37.00 ATOM 1508 OH2 TIP3 1 -30.136 27.462 -12.496 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -29.266 27.528 -12.943 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -30.666 26.901 -13.096 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -24.619 32.257 -12.905 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -24.082 31.516 -13.249 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -25.358 32.336 -13.546 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -24.530 29.098 -8.334 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -24.451 28.436 -7.629 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -25.276 28.769 -8.888 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -30.335 29.111 -10.317 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -30.320 28.626 -11.175 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -31.286 29.323 -10.179 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -26.561 29.438 -13.721 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -25.775 29.278 -13.160 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -27.024 28.567 -13.744 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -28.745 27.445 -8.804 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -29.423 28.039 -9.197 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -27.899 27.778 -9.173 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -30.125 25.342 -10.678 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -29.897 25.537 -9.756 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -30.158 26.220 -11.108 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -28.528 24.565 -12.841 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -28.992 24.697 -11.988 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -27.985 23.758 -12.695 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -27.701 16.410 -9.889 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -27.125 15.632 -9.700 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -28.543 16.182 -9.489 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -27.256 19.746 -11.664 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -26.512 19.151 -11.436 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -28.040 19.208 -11.515 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -26.553 28.473 -10.049 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -26.811 29.131 -10.709 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -26.193 27.725 -10.584 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -31.816 27.265 -1.171 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -31.904 26.343 -1.488 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -31.964 27.801 -1.955 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -31.096 31.125 -0.694 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -30.997 32.084 -0.888 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -30.815 30.684 -1.531 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -27.583 19.915 2.903 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -26.910 19.189 2.938 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -27.777 20.097 3.835 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -33.490 26.321 1.916 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -34.361 25.902 2.051 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -33.706 27.253 1.698 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -30.293 30.220 -3.111 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -29.540 29.591 -3.166 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -30.451 30.486 -4.034 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -29.925 26.704 0.755 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -29.471 26.004 0.248 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -30.611 27.039 0.138 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -28.972 24.828 -1.131 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -28.716 23.891 -1.290 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -28.326 25.343 -1.658 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -31.862 21.591 2.322 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -32.822 21.450 2.401 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -31.786 22.347 1.705 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -34.304 29.043 1.748 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -34.245 29.700 1.024 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -35.162 29.228 2.173 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -37.110 28.975 -7.866 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -37.743 28.285 -8.092 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -37.652 29.762 -7.738 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -35.275 32.676 3.236 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -34.845 31.878 3.595 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -35.754 32.351 2.438 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -32.965 29.802 -9.984 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -33.511 29.658 -10.766 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -33.485 29.387 -9.248 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -34.398 28.820 -7.954 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -35.378 28.914 -7.917 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -34.199 28.157 -7.285 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -30.837 22.932 4.564 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -31.154 22.381 3.826 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -29.859 22.881 4.498 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -32.455 23.880 0.685 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -32.595 24.762 1.089 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -32.166 24.082 -0.233 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -36.652 23.075 -0.385 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -37.469 22.575 -0.502 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -36.384 23.307 -1.282 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -36.334 26.918 3.781 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -36.386 26.272 3.051 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -35.868 26.433 4.492 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -26.779 20.125 -6.428 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -26.537 20.364 -7.330 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -26.273 19.295 -6.259 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -22.141 30.280 -7.590 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -22.354 29.839 -6.751 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -22.854 29.996 -8.188 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -31.569 24.582 -1.859 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -30.639 24.712 -1.562 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -31.485 23.984 -2.635 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -34.623 22.446 1.487 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -33.859 22.928 1.104 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -35.300 22.473 0.784 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -28.816 26.102 -4.925 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -29.125 25.288 -5.356 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -28.193 25.777 -4.226 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -26.851 26.328 -6.909 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -27.438 26.515 -7.659 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -27.422 26.440 -6.128 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -30.684 22.812 -3.813 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -29.873 23.078 -4.286 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -30.682 21.852 -3.868 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -30.640 28.770 9.666 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -31.120 28.751 10.518 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -29.866 29.340 9.842 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -30.605 26.268 -7.208 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -30.318 26.466 -6.309 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -29.915 26.663 -7.771 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -35.919 24.862 1.956 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -36.459 24.662 1.178 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -35.472 24.015 2.157 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -34.887 25.242 5.431 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -33.910 25.236 5.284 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -35.121 24.309 5.484 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -25.671 24.310 -10.688 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -25.268 23.761 -9.985 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -26.223 23.680 -11.193 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -32.189 25.140 5.262 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -31.723 24.296 5.044 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -31.795 25.792 4.650 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -28.272 28.284 -3.187 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -27.657 27.809 -2.594 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -28.604 27.594 -3.788 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -25.423 22.467 -3.069 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -24.963 22.657 -3.896 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -26.091 23.170 -3.001 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -25.939 23.617 -6.792 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -26.098 24.578 -6.877 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -26.724 23.288 -6.320 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -28.164 23.229 -4.982 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -27.696 23.799 -4.328 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -27.992 22.313 -4.669 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -28.151 22.629 4.141 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -27.952 22.446 3.214 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -27.430 22.176 4.634 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -29.548 19.832 0.947 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -28.802 19.860 1.582 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -30.100 20.586 1.193 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -30.910 19.069 3.314 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -31.352 19.930 3.228 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -30.564 18.892 2.423 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -31.423 31.342 -5.560 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -31.606 31.451 -6.518 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -32.285 31.156 -5.175 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -36.711 32.030 5.505 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -36.823 31.129 5.152 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -36.327 32.528 4.761 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -36.141 29.601 4.004 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -35.570 29.613 4.802 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -36.396 28.653 3.910 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -36.278 31.567 0.938 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -36.964 31.028 0.532 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -35.484 31.403 0.388 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -33.312 30.528 3.840 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -33.608 29.969 3.090 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -32.931 31.325 3.411 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -34.933 25.762 15.830 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -35.780 25.599 16.254 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -34.588 26.564 16.282 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -30.973 27.535 20.054 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -30.322 28.273 19.999 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -30.439 26.769 20.274 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -33.338 26.945 11.467 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -33.313 26.422 12.298 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -32.849 27.768 11.689 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -34.002 28.072 16.963 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -33.827 27.963 17.932 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -34.287 28.987 16.879 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -33.618 27.968 19.624 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -32.649 27.829 19.753 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -33.971 28.004 20.517 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -31.939 27.478 15.007 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -32.431 26.770 14.548 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -32.509 27.714 15.760 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -33.779 24.613 9.987 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -33.558 25.436 10.475 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -34.604 24.321 10.380 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -32.243 31.850 10.438 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -31.373 32.219 10.180 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -32.312 32.053 11.397 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -31.138 26.829 3.203 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -32.014 26.660 2.789 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -30.511 26.799 2.442 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -33.286 25.422 13.737 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -32.894 24.543 13.823 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -33.994 25.440 14.428 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -32.248 29.447 11.859 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -32.385 30.149 11.191 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -32.182 29.932 12.697 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -27.449 24.300 9.041 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -27.366 23.688 8.301 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -27.899 23.768 9.745 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -29.809 27.076 13.247 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -30.521 27.418 13.830 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -29.799 26.108 13.428 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -34.376 28.665 9.562 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -34.090 28.118 10.323 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -34.575 28.008 8.861 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -29.523 24.381 13.752 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -29.999 24.062 14.552 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -28.581 24.174 13.941 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -34.977 29.513 6.518 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -35.296 30.119 7.208 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -35.042 28.623 6.928 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -34.559 26.965 7.509 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -34.853 26.379 6.780 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -33.658 26.638 7.729 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -30.419 36.562 17.833 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -29.737 36.303 18.461 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -30.734 37.411 18.161 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -28.929 29.314 19.949 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -28.818 30.171 20.368 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -28.091 29.180 19.448 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -32.158 25.709 8.079 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -32.613 25.091 8.691 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -32.110 25.225 7.236 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -30.509 23.468 16.150 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -30.771 24.035 16.881 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -30.376 22.589 16.564 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -28.521 22.952 11.125 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -28.975 23.350 11.889 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -28.014 22.215 11.506 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -27.656 21.223 15.995 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -28.388 21.281 16.644 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -27.981 20.588 15.328 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -34.198 33.710 14.368 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -35.024 33.342 14.698 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -34.469 34.484 13.861 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -34.649 31.328 9.013 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -33.845 31.679 9.445 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -34.686 30.390 9.309 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -28.432 30.467 10.102 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -28.531 30.419 11.082 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -28.847 31.324 9.867 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -26.702 49.252 -31.362 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -25.864 49.560 -31.740 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -27.116 50.067 -30.992 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -29.629 53.900 -31.711 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -29.676 54.737 -32.178 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -28.976 54.058 -30.996 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -27.014 47.010 -34.942 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -27.055 46.675 -35.860 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -26.465 46.353 -34.473 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -30.603 51.535 -30.851 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -30.407 52.418 -31.240 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -30.772 50.963 -31.629 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -32.189 48.246 -31.241 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -32.986 47.894 -31.699 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -31.753 48.807 -31.919 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -28.384 48.127 -28.315 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -28.072 47.220 -28.526 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -27.568 48.674 -28.342 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -30.910 49.879 -33.074 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -30.058 49.379 -33.166 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -31.119 50.153 -33.972 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -27.822 51.459 -30.231 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -28.784 51.383 -30.404 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -27.686 52.414 -30.072 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -34.865 43.840 -23.166 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -35.408 44.588 -23.447 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -34.370 43.585 -23.983 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -36.198 41.610 -22.195 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -35.786 42.479 -22.369 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -35.900 41.054 -22.947 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -37.511 43.493 -19.264 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -37.519 42.528 -19.426 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -37.767 43.884 -20.135 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -35.801 47.434 -21.188 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -36.785 47.431 -21.235 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -35.602 48.075 -20.488 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -34.659 44.951 -20.642 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -35.071 45.825 -20.833 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -34.744 44.459 -21.486 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -28.089 34.619 -18.947 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -28.390 34.907 -19.839 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -28.879 34.692 -18.396 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -27.268 37.431 -15.128 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -27.409 36.468 -15.143 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -28.167 37.806 -15.179 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -34.995 40.615 -24.446 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -34.030 40.775 -24.531 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -35.364 40.970 -25.260 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -37.244 40.814 -19.845 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -36.773 41.056 -20.683 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -37.959 40.239 -20.138 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -31.022 37.548 -21.036 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -30.311 38.204 -20.867 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -31.371 37.339 -20.143 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -41.620 45.656 -18.062 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -40.863 46.255 -18.234 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -41.504 45.387 -17.148 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -30.504 47.445 -21.190 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -30.913 46.592 -20.921 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -30.539 47.996 -20.381 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -31.312 40.613 -19.207 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -31.629 41.239 -19.891 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -30.506 40.229 -19.592 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -32.299 41.006 -24.696 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -32.145 40.471 -23.893 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -31.507 40.834 -25.256 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -29.764 38.752 -15.483 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -30.725 38.846 -15.277 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -29.542 39.570 -15.944 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -38.238 44.309 -21.757 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -38.977 44.948 -21.860 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -38.418 43.632 -22.418 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -38.077 45.025 -17.066 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -37.771 44.400 -16.380 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -38.114 44.481 -17.882 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -33.100 42.150 -29.734 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -33.547 41.398 -30.133 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -32.234 41.794 -29.454 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -34.513 49.263 -23.313 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -34.983 48.573 -22.814 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -33.583 49.197 -22.998 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -37.042 47.734 -9.440 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -37.003 48.309 -10.208 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -36.618 48.257 -8.723 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -32.883 49.219 -25.768 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -33.501 49.231 -26.524 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -33.462 49.293 -24.986 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -31.950 49.343 -22.534 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -31.413 49.968 -23.073 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -31.304 48.667 -22.233 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -32.479 39.197 -15.134 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -32.828 38.637 -14.405 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -33.003 40.027 -15.066 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -30.221 44.163 -28.642 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -30.030 43.994 -27.688 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -31.160 44.452 -28.647 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -33.931 40.349 -11.282 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -33.772 39.515 -11.777 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -33.663 40.137 -10.363 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -36.026 40.767 -17.368 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -36.420 40.774 -18.269 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -35.157 40.329 -17.491 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -31.818 45.039 -20.475 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -32.793 45.106 -20.514 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -31.633 44.121 -20.729 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -36.667 43.005 -15.848 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -36.427 42.118 -16.187 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -36.377 42.993 -14.907 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -32.930 44.585 -28.344 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -33.234 43.844 -28.909 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -33.417 45.363 -28.684 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -35.626 43.186 -13.298 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -35.949 43.906 -12.713 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -34.693 43.061 -13.025 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -25.289 42.602 -28.579 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -24.320 42.561 -28.463 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -25.417 42.472 -29.543 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -32.303 42.074 -21.410 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -32.346 41.154 -21.752 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -32.776 42.593 -22.074 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -40.403 45.960 -22.101 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -41.085 45.579 -21.491 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -40.919 46.323 -22.829 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -31.005 48.486 -28.834 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -30.065 48.224 -28.923 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -31.371 48.379 -29.744 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -33.606 43.375 -25.576 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -33.332 43.795 -26.413 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -32.958 42.656 -25.445 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -34.016 41.439 -15.058 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -33.602 42.101 -14.468 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -34.924 41.366 -14.732 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -29.240 35.162 -14.318 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -29.880 35.388 -15.025 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -28.444 34.856 -14.808 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -32.565 39.477 -22.386 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -33.421 39.081 -22.601 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -32.049 38.738 -21.995 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -36.155 45.149 -11.451 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -37.105 45.369 -11.358 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -35.826 45.128 -10.526 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -34.385 49.686 -28.072 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -35.138 50.245 -28.296 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -33.600 50.238 -28.295 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -36.092 47.842 -15.013 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -36.803 47.568 -14.387 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -36.404 48.702 -15.365 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -34.634 47.217 -31.915 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -34.648 47.024 -30.956 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -35.514 46.985 -32.218 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -27.758 45.541 -28.975 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -28.591 45.042 -29.130 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -27.376 45.660 -29.868 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -37.673 39.808 -15.376 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -38.556 40.041 -15.677 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -37.090 40.056 -16.122 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -36.520 38.667 -13.143 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -36.700 39.466 -12.601 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -36.976 38.850 -13.994 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -33.815 38.126 -12.858 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -34.780 38.152 -13.052 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -33.726 37.438 -12.177 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -32.549 34.809 -9.284 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -32.419 35.063 -8.367 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -33.044 35.568 -9.673 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -29.657 43.321 -26.153 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -29.814 42.364 -26.031 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -28.681 43.398 -26.232 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -29.509 42.066 -31.818 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -30.300 42.618 -31.784 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -28.960 42.479 -32.521 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -30.423 41.436 -29.186 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -29.955 41.374 -30.039 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -30.298 42.368 -28.914 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -28.568 39.182 -12.177 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -28.523 39.301 -13.135 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -29.121 38.372 -12.064 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -30.138 40.612 -26.321 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -29.415 39.987 -26.092 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -30.196 40.567 -27.295 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -32.269 37.097 -18.604 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -32.970 36.471 -18.826 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -32.749 37.919 -18.360 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -33.411 39.519 -17.768 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -33.068 39.413 -16.858 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -32.697 40.008 -18.238 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -28.311 33.326 -12.387 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -28.497 33.993 -13.077 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -29.089 33.388 -11.788 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -38.088 47.292 -13.252 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -38.243 46.710 -12.479 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -38.945 47.693 -13.420 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -26.909 32.029 -14.354 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -27.524 32.350 -13.659 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -26.932 31.048 -14.259 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -39.929 52.342 -21.952 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -40.718 52.695 -22.377 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -39.810 52.904 -21.160 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -42.403 45.012 -20.560 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -43.300 44.684 -20.466 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -42.144 45.271 -19.643 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -39.353 47.202 -18.287 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -39.392 48.056 -17.810 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -38.778 46.637 -17.728 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -33.964 47.106 -29.247 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -34.246 47.870 -28.706 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -33.129 47.400 -29.652 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -30.409 33.819 -10.756 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -31.226 34.177 -10.352 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -30.209 33.021 -10.224 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -34.415 44.728 -1.351 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -33.754 45.451 -1.406 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -35.032 44.920 -2.074 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -33.730 42.091 -0.599 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -33.907 42.310 0.332 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -33.926 42.925 -1.077 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -32.694 46.926 -1.306 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -32.193 46.516 -0.567 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -32.143 47.694 -1.570 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -32.059 36.428 3.354 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -32.307 37.175 3.942 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -31.831 36.861 2.501 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -31.246 39.154 -4.797 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -30.503 39.092 -4.156 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -30.813 39.148 -5.660 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -33.590 46.743 -7.561 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -32.803 47.059 -8.052 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -33.400 46.977 -6.629 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -31.447 45.525 0.743 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -32.235 45.071 1.105 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -30.695 44.994 1.072 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -33.762 31.174 -0.020 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -32.851 30.921 -0.287 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -33.704 32.144 0.123 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -30.431 47.828 -4.750 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -30.614 46.908 -4.446 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -29.452 47.883 -4.755 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -37.673 44.124 -3.799 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -37.973 44.951 -3.411 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -37.605 44.322 -4.760 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -33.109 39.709 -8.663 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -32.272 40.212 -8.582 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -33.548 39.845 -7.801 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -31.183 41.395 -7.550 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -31.895 41.348 -6.884 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -30.610 42.117 -7.238 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -31.492 39.898 2.725 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -31.339 39.077 2.214 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -32.006 39.599 3.506 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -33.933 44.234 1.349 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -34.612 44.532 1.965 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -34.277 44.486 0.468 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -34.704 47.135 -3.250 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -34.118 47.402 -3.990 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -34.135 47.205 -2.462 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -29.650 31.622 -9.342 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -30.383 31.614 -8.697 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -29.707 30.746 -9.776 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -27.724 48.702 4.140 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -27.952 49.654 4.091 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -27.361 48.499 3.251 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -31.547 48.041 -8.881 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -30.689 47.972 -9.345 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -32.199 48.203 -9.608 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -33.118 48.110 -5.235 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -32.155 48.113 -5.073 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -33.306 49.011 -5.585 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -40.545 36.561 9.856 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -40.173 35.702 9.571 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -41.400 36.336 10.232 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -30.179 34.457 3.054 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -30.840 35.172 3.193 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -29.791 34.321 3.939 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -36.370 37.930 -10.469 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -36.527 37.847 -11.428 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -36.749 38.794 -10.243 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -36.981 41.493 -3.589 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -37.853 41.096 -3.674 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -37.155 42.462 -3.622 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -39.566 38.260 7.905 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -39.442 37.505 7.300 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -40.009 37.869 8.683 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -31.271 37.666 1.056 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -31.751 38.239 0.409 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -30.741 37.072 0.502 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -32.735 38.642 4.891 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -32.466 39.251 5.593 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -33.591 38.263 5.214 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -33.609 33.894 0.518 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -34.323 34.316 1.016 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -33.389 34.542 -0.182 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -39.206 45.580 -8.376 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -39.481 46.399 -7.954 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -38.635 45.149 -7.709 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -33.783 37.223 -9.935 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -34.756 37.342 -10.033 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -33.497 38.018 -9.444 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -36.502 42.687 6.842 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -36.073 42.496 7.680 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -37.151 41.955 6.736 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -33.331 40.561 -5.884 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -32.687 40.048 -5.355 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -33.996 40.846 -5.234 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -37.343 45.013 -6.392 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -37.117 45.882 -5.979 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -36.682 44.908 -7.104 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -35.893 45.222 5.954 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -36.760 45.493 5.644 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -36.017 44.282 6.218 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -31.271 41.944 0.886 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -31.562 41.127 1.342 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -31.922 42.065 0.175 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -34.469 40.550 -3.172 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -34.232 41.126 -2.427 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -35.394 40.820 -3.396 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -38.816 45.713 -11.090 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -39.505 45.043 -11.156 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -38.774 45.916 -10.124 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -34.764 35.314 3.848 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -33.815 35.421 3.667 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -34.938 34.363 3.681 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -33.104 38.143 -2.979 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -33.780 38.847 -3.116 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -32.429 38.328 -3.662 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -36.686 47.335 -5.207 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -36.377 48.046 -5.796 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -36.073 47.370 -4.443 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -33.064 35.549 -1.748 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -33.704 35.190 -2.375 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -32.992 36.495 -1.999 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -32.167 32.604 2.537 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -32.675 33.046 1.824 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -31.444 33.238 2.741 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -32.540 39.401 -0.615 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -33.098 40.199 -0.648 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -32.675 38.979 -1.486 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -29.041 47.187 0.908 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -28.925 47.773 0.127 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -29.995 46.985 0.915 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -33.177 48.429 -10.985 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -33.590 49.273 -11.189 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -33.576 47.804 -11.637 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -34.506 46.960 -12.832 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -35.131 46.313 -12.442 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -34.946 47.251 -13.656 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -33.691 46.777 6.669 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -34.339 46.237 6.168 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -33.980 46.698 7.582 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -36.651 40.731 -11.331 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -35.675 40.718 -11.232 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -36.864 41.665 -11.447 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -38.874 35.962 6.484 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -38.865 35.708 5.554 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -37.924 36.016 6.728 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -30.987 37.388 8.326 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -31.935 37.416 8.485 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -30.698 38.323 8.427 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -34.970 37.304 5.714 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -35.408 36.855 6.467 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -35.021 36.648 4.984 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -36.636 33.105 8.009 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -36.711 32.718 7.106 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -35.975 32.535 8.457 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -39.034 34.455 8.796 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -39.146 34.866 7.914 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -38.344 33.774 8.655 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -29.710 46.943 4.803 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -30.345 47.430 5.365 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -29.025 47.610 4.584 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -27.840 44.213 7.166 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -28.410 44.747 7.769 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -26.948 44.530 7.342 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -31.459 48.362 6.404 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -32.178 47.691 6.486 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -31.925 49.184 6.229 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -27.768 40.937 -10.223 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -28.578 41.143 -9.741 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -28.075 40.393 -10.986 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -29.928 36.775 -12.180 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -30.332 36.126 -11.589 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -29.692 36.256 -12.977 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -30.946 49.643 -6.794 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -31.181 49.063 -7.554 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -30.613 49.024 -6.117 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -28.963 50.896 0.854 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -28.975 50.127 0.257 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -28.653 51.631 0.287 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -30.942 33.811 -1.284 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -30.308 34.229 -0.659 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -31.652 34.476 -1.384 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -29.301 35.076 0.488 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -28.362 34.838 0.369 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -29.493 34.842 1.423 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -32.157 31.742 -8.217 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -32.560 32.547 -8.578 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -32.469 31.027 -8.817 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -35.733 45.462 -8.684 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -34.907 45.823 -8.290 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -36.261 46.260 -8.909 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -29.612 45.420 8.812 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -29.880 45.516 9.730 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -29.490 46.353 8.500 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -29.171 47.971 8.117 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -29.837 48.324 7.500 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -28.372 48.518 7.949 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -28.373 39.540 6.615 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -27.681 39.849 5.992 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -27.961 38.759 7.056 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -37.531 36.402 10.043 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -38.202 37.075 10.216 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -38.047 35.600 9.834 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -36.357 35.874 7.632 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -36.267 34.903 7.753 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -36.593 36.205 8.529 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -26.768 37.609 7.641 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -26.177 37.483 6.869 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -26.207 37.398 8.406 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -37.916 40.336 7.130 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -37.345 39.627 6.821 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -38.687 39.867 7.515 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -29.357 35.196 8.445 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -28.509 35.487 8.823 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -29.916 36.011 8.449 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -29.095 44.649 2.002 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -29.033 44.714 2.978 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -28.848 45.544 1.687 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -30.182 42.742 7.701 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -30.601 43.555 8.025 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -29.261 43.011 7.514 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -30.239 34.690 5.889 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -30.606 35.565 5.708 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -29.794 34.794 6.761 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -30.622 32.025 5.481 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -30.468 32.975 5.690 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -31.519 31.858 5.787 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -29.678 32.950 10.027 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -29.306 33.355 10.822 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -29.614 33.657 9.346 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -23.350 36.375 7.679 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -22.465 36.181 7.291 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -23.825 36.836 6.957 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -32.243 32.107 13.187 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -31.385 32.338 13.599 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -32.897 32.659 13.668 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -29.165 30.627 12.727 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -29.415 29.915 13.327 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -29.356 31.446 13.233 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -31.395 52.390 -26.309 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -31.760 51.946 -27.105 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -32.188 52.767 -25.857 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -26.165 49.743 -28.247 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -25.335 49.257 -28.461 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -26.299 50.332 -29.007 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -27.875 54.225 -29.619 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -27.341 54.982 -29.357 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -28.349 53.965 -28.788 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -32.022 50.966 -28.563 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -31.672 50.049 -28.593 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -31.622 51.396 -29.353 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -30.244 54.300 -17.559 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -30.774 54.419 -16.737 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -29.360 54.595 -17.310 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -29.241 53.228 -14.222 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -29.006 53.312 -13.274 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -28.487 52.776 -14.612 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -32.161 54.416 -19.612 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -32.865 54.976 -19.268 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -31.457 54.471 -18.932 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -36.197 54.556 -14.729 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -36.854 55.254 -14.693 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -36.683 53.786 -15.107 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -38.546 47.611 -20.910 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -39.183 47.060 -21.412 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -38.795 47.465 -19.969 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -39.649 50.112 -20.347 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -39.743 50.759 -21.071 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -39.231 49.337 -20.768 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -35.701 47.214 -17.692 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -35.750 48.062 -18.174 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -35.820 47.465 -16.752 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -39.023 53.805 -19.741 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -38.727 54.719 -19.685 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -38.252 53.325 -20.136 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -33.384 53.223 -24.644 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -32.928 53.373 -23.793 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -34.271 52.934 -24.386 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -37.714 52.576 -15.796 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -37.380 51.666 -15.909 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -38.551 52.587 -16.299 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -34.852 51.933 -22.550 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -34.743 51.014 -22.875 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -33.945 52.210 -22.305 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -31.347 54.753 -15.048 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -32.194 54.473 -14.621 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -30.680 54.118 -14.697 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -40.015 52.682 -17.409 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -39.652 53.017 -18.259 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -40.827 53.184 -17.284 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -39.549 49.959 -17.646 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -39.856 50.852 -17.391 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -39.652 49.945 -18.629 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -35.492 48.744 -7.451 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -34.837 48.021 -7.529 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -34.958 49.517 -7.159 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -37.063 49.930 -16.565 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -37.982 49.841 -16.907 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -36.509 49.909 -17.366 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -28.984 53.364 -27.310 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -28.494 52.584 -26.979 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -29.896 53.226 -26.985 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -32.306 53.055 -22.041 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -32.347 53.624 -21.244 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -31.355 52.857 -22.143 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -28.300 53.550 -11.623 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -28.585 54.488 -11.493 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -28.578 53.104 -10.810 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -27.865 50.991 -26.373 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -27.206 50.599 -26.984 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -27.424 50.958 -25.491 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -37.149 52.543 -21.215 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -37.811 52.246 -21.859 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -36.289 52.418 -21.678 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -30.531 49.341 -19.151 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -30.260 50.281 -19.224 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -30.019 49.001 -18.386 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -33.134 49.482 -20.027 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -32.855 49.503 -20.964 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -32.292 49.411 -19.532 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -35.681 49.590 -19.082 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -34.721 49.607 -19.326 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -36.059 50.341 -19.564 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -30.461 51.090 -24.066 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -30.800 51.676 -24.776 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -30.064 51.708 -23.413 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -33.610 50.487 -6.546 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -33.775 51.357 -6.109 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -32.682 50.541 -6.839 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -27.875 52.633 -0.958 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -27.380 53.227 -0.340 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -27.185 52.265 -1.532 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -30.338 52.259 -7.152 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -29.658 52.291 -7.849 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -30.544 51.304 -7.066 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -33.685 54.095 -13.785 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -34.543 54.264 -14.241 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -33.925 54.010 -12.859 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -31.017 52.580 -4.562 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -30.471 51.828 -4.287 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -30.795 52.697 -5.516 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -29.137 56.118 -11.434 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -29.658 56.400 -12.221 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -29.022 56.926 -10.927 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -28.265 51.304 3.401 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -28.892 51.950 3.740 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -28.589 51.111 2.483 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -31.094 49.036 -2.273 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -31.027 50.016 -2.188 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -31.007 48.872 -3.228 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -30.242 51.626 -2.083 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -30.647 52.388 -2.529 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -29.462 52.003 -1.624 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -33.669 52.845 -5.244 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -34.019 53.686 -4.940 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -32.753 52.825 -4.894 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -8.369 -4.453 19.206 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -8.559 -5.369 18.926 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -9.030 -3.905 18.709 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -19.486 8.485 -5.701 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -19.630 8.307 -6.650 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -18.768 9.136 -5.686 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -21.092 11.975 -11.766 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -20.635 12.806 -11.477 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -20.399 11.469 -12.212 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -20.348 15.978 -12.954 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -20.276 15.357 -12.186 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -19.417 16.092 -13.251 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -15.686 12.418 -10.070 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -15.196 13.117 -10.555 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -16.632 12.692 -10.143 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -15.664 10.606 -12.096 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -16.568 10.770 -12.444 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -15.604 11.194 -11.311 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -22.546 11.268 -18.073 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -23.346 11.657 -18.493 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -22.367 10.481 -18.590 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -14.152 11.989 -13.945 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -14.708 11.405 -13.381 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -13.369 11.459 -14.132 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -25.867 14.436 -9.582 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -25.131 14.122 -9.022 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -25.454 14.587 -10.454 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -14.186 9.357 -10.075 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -14.594 8.576 -9.653 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -14.747 9.531 -10.857 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -23.085 13.385 -13.199 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -23.018 13.173 -14.150 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -22.488 12.743 -12.768 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -22.541 12.949 -15.921 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -23.183 13.560 -16.337 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -22.432 12.230 -16.587 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -17.865 13.868 -15.890 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -18.039 13.646 -16.811 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -18.742 13.756 -15.446 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -25.440 15.772 -15.162 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -25.370 15.673 -14.206 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -25.211 16.716 -15.323 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -24.336 14.578 -17.295 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -24.885 14.872 -16.525 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -23.912 15.388 -17.601 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -24.791 12.522 -19.035 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -24.635 13.265 -18.409 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -25.695 12.649 -19.329 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -15.218 14.172 -15.263 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -14.863 13.319 -14.938 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -16.127 13.955 -15.565 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -11.201 11.305 -4.477 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -10.333 10.874 -4.327 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -10.969 12.234 -4.669 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -24.472 9.384 -0.971 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -24.530 8.774 -1.709 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -23.542 9.716 -1.009 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -15.090 11.465 -4.836 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -14.806 10.784 -5.479 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -15.484 12.169 -5.394 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -11.020 11.186 -0.790 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -11.575 11.954 -1.003 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -11.500 10.428 -1.181 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -13.238 12.060 -2.848 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -12.478 11.837 -3.431 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -14.015 12.014 -3.447 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -12.508 8.891 -4.595 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -12.699 8.781 -3.639 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -12.074 9.770 -4.650 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -21.836 9.901 -1.418 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -21.211 9.386 -0.868 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -21.316 10.129 -2.221 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -14.335 9.500 0.494 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -14.971 9.923 1.100 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -13.619 9.197 1.080 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -20.269 10.265 -3.680 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -20.412 9.513 -4.282 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -19.375 10.578 -3.903 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -10.678 11.060 2.008 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -11.367 10.465 2.384 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -10.712 10.886 1.045 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -16.205 9.314 4.981 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -15.770 10.039 5.488 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -17.105 9.280 5.348 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -24.328 14.849 -2.180 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -24.586 14.121 -2.792 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -24.931 14.736 -1.415 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -16.224 13.290 -6.593 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -15.336 13.465 -6.988 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -16.565 12.527 -7.105 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -19.428 4.487 -9.032 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -19.579 3.685 -9.541 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -19.948 4.366 -8.232 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -12.848 9.580 2.848 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -13.672 10.097 2.919 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -13.028 8.774 3.384 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -13.003 11.017 -8.327 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -13.146 10.466 -7.539 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -13.313 10.450 -9.071 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -20.163 8.315 0.112 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -20.481 7.438 0.347 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -19.362 8.426 0.632 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -15.401 10.750 2.774 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -15.750 10.191 3.505 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -15.875 11.590 2.870 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -15.115 7.309 -8.398 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -14.712 6.452 -8.572 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -16.087 7.140 -8.493 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -13.647 13.473 -7.436 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -13.428 12.591 -7.820 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -13.013 14.083 -7.870 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -19.778 8.346 -8.457 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -19.517 9.291 -8.565 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -20.591 8.266 -8.966 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -17.585 10.309 -4.500 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -17.420 9.500 -4.001 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -16.727 10.773 -4.494 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -16.359 10.873 -7.895 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -15.947 11.247 -8.706 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -15.708 10.221 -7.575 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -19.010 10.930 -8.651 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -18.143 10.842 -8.199 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -18.839 11.594 -9.365 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -21.698 11.909 -9.065 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -20.852 11.534 -8.755 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -21.645 11.846 -10.041 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -13.908 15.394 0.345 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -13.180 14.914 -0.102 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -14.125 16.119 -0.267 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -25.764 13.166 -3.742 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -25.983 12.245 -3.916 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -26.629 13.599 -3.607 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -19.412 9.072 9.799 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -20.157 8.566 10.191 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -18.994 8.447 9.200 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -15.389 11.613 6.190 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -15.631 12.128 6.992 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -14.582 12.063 5.852 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -14.391 9.300 -6.564 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -13.799 8.956 -5.858 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -14.612 8.505 -7.102 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -17.679 6.603 -8.776 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -18.184 5.779 -8.937 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -18.374 7.285 -8.663 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -28.975 12.902 -1.303 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -29.723 12.298 -1.266 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -28.506 12.758 -0.452 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -27.395 12.634 0.962 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -27.000 11.725 0.929 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -27.109 12.985 1.829 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -10.164 13.726 1.400 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -10.703 13.855 0.610 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -10.367 12.809 1.684 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -8.511 11.260 3.785 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -9.246 11.118 3.152 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -7.767 11.560 3.227 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -13.000 9.482 -1.899 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -13.312 10.370 -2.157 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -13.526 9.270 -1.097 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -25.644 18.134 3.363 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -25.128 17.877 4.139 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -25.586 17.359 2.766 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -23.315 15.741 3.459 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -23.912 15.832 2.693 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -22.547 16.300 3.232 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -15.354 13.491 1.673 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -14.764 14.188 1.304 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -14.943 12.663 1.395 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -17.258 15.432 1.422 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -16.761 14.588 1.518 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -16.568 16.093 1.264 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -26.512 13.894 3.390 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -27.292 13.954 3.954 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -25.766 13.807 4.023 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -26.259 10.185 0.930 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -26.362 9.323 1.341 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -25.583 10.037 0.228 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -24.410 14.065 5.240 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -23.910 14.673 4.640 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -23.758 13.405 5.502 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -25.800 16.333 -4.019 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -25.096 15.880 -3.516 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -26.586 15.768 -3.885 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -12.146 14.107 -1.310 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -12.603 13.517 -1.949 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -11.936 14.910 -1.832 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -23.592 13.639 -8.172 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -23.613 13.563 -7.210 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -22.999 12.901 -8.460 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -8.378 12.745 6.037 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -8.412 12.128 5.265 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -8.211 12.155 6.808 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -9.820 -2.801 17.696 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -10.633 -2.687 17.196 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -9.450 -1.889 17.765 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -6.938 -4.724 21.495 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -7.445 -4.591 20.658 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -7.427 -4.213 22.151 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -11.616 13.747 8.812 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -11.481 12.849 9.193 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -11.311 13.661 7.879 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -20.484 13.291 10.885 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -20.610 14.216 11.201 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -20.998 12.760 11.503 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -15.864 14.924 10.246 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -15.096 14.327 10.408 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -15.654 15.729 10.761 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -12.484 16.550 11.781 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -11.688 16.984 12.117 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -12.358 16.539 10.805 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -13.839 13.146 10.307 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -13.339 12.463 10.777 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -13.207 13.491 9.651 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -14.158 7.601 4.198 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -14.928 8.091 4.555 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -14.392 6.676 4.312 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -8.120 12.407 11.051 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -8.706 13.189 10.958 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -7.221 12.762 10.874 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -18.082 10.665 6.725 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -18.401 10.911 7.616 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -17.203 11.078 6.663 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -18.789 11.677 9.256 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -19.005 10.761 9.551 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -19.333 12.248 9.836 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -10.550 14.491 18.812 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -9.740 14.647 19.341 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -11.251 14.966 19.307 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -19.092 13.187 6.082 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -19.742 13.386 6.785 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -18.975 12.221 6.130 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -13.169 13.015 5.230 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -12.905 12.807 4.326 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -12.357 13.384 5.638 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -16.553 12.969 8.244 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -17.362 12.548 8.609 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -16.201 13.491 8.990 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -20.452 14.177 8.273 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -20.685 13.727 9.107 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -19.599 14.622 8.474 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -9.843 11.875 18.400 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -10.203 12.786 18.467 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -10.566 11.363 17.977 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -7.534 12.448 19.829 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -7.700 13.379 20.081 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -8.328 12.198 19.311 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -4.407 -6.850 23.271 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -4.822 -6.857 24.155 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -3.468 -6.625 23.452 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -12.169 15.622 14.659 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -12.530 15.805 15.548 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -12.865 15.913 14.054 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -18.103 15.446 8.801 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -17.342 15.286 9.406 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -18.576 16.216 9.208 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -15.695 10.740 13.709 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -16.020 11.588 13.387 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -16.249 10.088 13.264 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -21.421 7.396 10.718 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -21.540 7.056 11.611 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -22.136 6.993 10.212 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -12.708 36.637 -34.227 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -13.341 37.275 -34.608 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -12.399 37.067 -33.407 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -16.723 34.211 -35.000 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -17.354 34.638 -34.381 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -16.985 33.288 -35.003 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -14.860 31.917 -39.785 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -14.838 30.978 -39.995 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -14.213 32.015 -39.046 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -10.893 30.321 -34.474 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -11.534 29.609 -34.485 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -10.249 30.078 -35.180 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -9.099 29.679 -36.404 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -9.319 30.207 -37.206 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -8.263 29.259 -36.620 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -21.234 19.903 -16.259 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -22.115 20.242 -15.986 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -21.128 20.221 -17.160 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -16.460 27.807 -15.756 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -16.687 27.683 -16.706 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -15.481 27.783 -15.741 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -9.456 20.019 -15.139 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -9.287 20.923 -15.474 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -9.563 19.490 -15.939 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -24.395 18.253 -15.597 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -24.268 19.216 -15.657 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -23.491 17.900 -15.436 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -19.797 26.064 -12.970 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -19.153 26.812 -13.012 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -19.344 25.336 -13.460 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -23.957 26.647 -14.253 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -24.490 27.109 -14.941 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -23.238 27.285 -14.047 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -17.096 28.170 -18.409 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -17.451 29.061 -18.280 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -17.043 28.070 -19.365 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -10.873 25.507 -13.313 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -11.157 25.610 -12.383 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -10.129 26.150 -13.409 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -9.155 21.778 -17.394 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -9.408 21.714 -18.320 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -9.572 22.622 -17.090 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -15.490 19.857 -12.521 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -16.221 19.267 -12.233 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -14.686 19.449 -12.133 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -24.557 23.672 -15.862 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -24.547 24.635 -15.862 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -24.634 23.433 -14.924 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -17.225 30.417 -16.424 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -16.285 30.551 -16.648 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -17.245 29.539 -16.000 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -22.265 24.689 -13.350 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -22.884 25.348 -13.732 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -21.445 25.199 -13.188 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -24.262 29.220 -12.107 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -23.413 29.096 -12.579 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -24.504 28.317 -11.813 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -29.544 26.734 -16.065 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -30.150 26.178 -15.526 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -29.939 26.735 -16.940 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -17.728 27.752 -13.291 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -17.319 27.726 -14.183 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -17.023 28.120 -12.718 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -11.283 22.752 -13.508 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -12.243 22.535 -13.579 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -11.260 23.730 -13.458 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -25.338 26.755 -11.749 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -25.458 25.869 -11.322 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -25.046 26.542 -12.657 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -18.056 11.811 -12.812 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -18.177 12.246 -11.932 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -18.436 12.438 -13.440 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -17.553 18.160 -11.780 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -16.940 17.747 -11.126 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -17.749 17.443 -12.409 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -24.165 22.681 -13.224 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -23.567 23.460 -13.177 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -23.932 22.156 -12.428 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -20.502 20.070 -8.328 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -20.618 19.231 -7.846 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -20.130 19.800 -9.197 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -26.895 22.397 -12.280 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -27.089 21.459 -12.038 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -26.073 22.343 -12.800 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -18.329 24.025 -13.997 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -17.694 24.346 -14.646 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -18.016 23.110 -13.788 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -21.505 17.690 -11.141 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -21.851 16.970 -10.580 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -21.186 17.230 -11.944 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -11.008 28.182 -15.276 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -10.689 27.835 -16.141 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -10.311 27.893 -14.631 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -17.398 21.537 -13.566 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -18.092 20.881 -13.809 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -16.689 20.994 -13.164 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -30.850 25.272 -14.172 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -31.535 24.832 -13.622 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -30.010 24.864 -13.875 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -21.957 32.165 -16.731 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -22.337 32.609 -17.504 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -21.003 32.064 -16.956 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -13.657 28.083 -16.084 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -12.710 28.181 -15.849 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -13.900 28.950 -16.467 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -25.521 17.781 -10.750 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -26.309 17.323 -10.375 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -25.047 17.076 -11.235 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -25.174 28.404 -15.936 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -25.780 28.911 -15.366 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -25.162 28.894 -16.764 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -17.716 15.920 -13.645 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -16.759 16.000 -13.442 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -17.742 15.352 -14.437 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -19.568 20.036 -14.107 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -20.056 19.940 -14.947 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -20.121 20.649 -13.580 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -14.987 16.193 -13.500 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -14.512 16.970 -13.820 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -14.958 15.561 -14.258 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -14.467 30.665 -16.823 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -14.544 31.596 -16.562 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -14.146 30.708 -17.755 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -22.313 31.115 -14.216 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -21.971 31.888 -13.741 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -22.257 31.375 -15.166 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -27.813 27.039 -13.956 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -28.278 26.976 -14.824 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -27.819 26.117 -13.616 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -12.390 25.503 -15.719 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -12.013 25.633 -14.827 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -13.027 26.231 -15.818 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -23.101 21.422 -11.012 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -23.020 20.499 -10.726 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -23.601 21.857 -10.283 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -21.153 21.995 -12.936 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -21.533 22.797 -13.340 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -21.829 21.712 -12.286 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -21.861 17.368 -15.129 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -21.344 16.984 -14.400 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -21.317 18.111 -15.444 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -23.702 20.993 -15.653 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -23.829 21.286 -14.736 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -24.034 21.743 -16.186 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -13.936 21.963 -13.550 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -14.613 22.483 -13.995 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -14.425 21.194 -13.191 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -20.224 13.697 -14.640 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -21.037 13.380 -15.093 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -20.534 14.440 -14.090 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -19.696 19.679 -10.886 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -20.380 19.000 -11.090 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -18.873 19.311 -11.282 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -13.171 18.702 -11.543 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -12.853 18.598 -10.636 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -12.426 19.144 -12.009 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -22.260 15.375 -9.856 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -21.450 14.918 -10.196 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -22.687 14.707 -9.275 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -11.357 33.101 -18.681 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -10.758 33.027 -19.441 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -10.753 33.214 -17.915 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -8.647 29.686 -16.960 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -9.125 30.230 -16.298 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -9.326 29.071 -17.300 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -10.102 27.389 -17.727 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -9.297 27.304 -18.299 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -10.618 26.598 -17.935 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -10.155 30.714 -14.782 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -10.163 30.878 -13.825 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -10.600 29.850 -14.881 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -10.271 24.159 -16.773 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -9.592 24.742 -16.373 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -11.122 24.518 -16.438 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -32.256 24.258 -12.021 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -32.848 23.743 -11.467 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -31.556 24.566 -11.408 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -12.122 13.111 -10.344 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -12.462 12.297 -9.939 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -12.846 13.409 -10.934 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -14.275 13.940 -11.920 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -14.203 13.373 -12.714 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -14.509 14.822 -12.276 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -22.024 28.517 -13.606 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -22.041 29.450 -13.938 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -21.085 28.283 -13.605 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -22.689 35.246 -15.587 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -22.770 34.679 -16.373 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -23.362 35.946 -15.727 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -22.412 33.953 -13.119 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -23.283 33.516 -13.014 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -22.481 34.422 -13.979 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -19.501 36.642 -22.308 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -20.207 36.908 -21.678 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -18.871 36.133 -21.760 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -16.706 32.269 -22.320 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -16.917 32.941 -22.999 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -17.471 32.273 -21.740 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -24.334 15.322 -11.761 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -24.003 14.634 -12.391 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -23.569 15.495 -11.181 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -15.455 17.332 -10.258 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -14.945 17.163 -9.439 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -14.775 17.532 -10.919 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -26.816 18.519 -2.653 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -26.200 18.406 -1.902 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -26.463 17.913 -3.339 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -25.294 20.789 -0.896 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -24.902 19.950 -1.178 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -25.317 21.334 -1.719 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -24.779 17.631 -0.945 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -24.826 17.427 0.000 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -24.493 16.797 -1.355 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -12.714 14.452 -5.075 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -12.978 15.376 -5.247 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -13.031 13.964 -5.863 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -27.826 20.701 -4.014 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -27.485 19.949 -3.482 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -27.515 20.501 -4.934 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -24.897 19.650 -8.763 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -25.128 19.078 -9.525 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -24.512 19.035 -8.115 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -24.702 22.387 -8.937 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -24.858 21.423 -8.812 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -25.097 22.800 -8.133 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -27.667 18.736 6.561 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -28.230 19.377 7.002 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -28.295 18.178 6.048 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -23.115 17.247 -7.760 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -22.227 17.508 -7.460 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -22.948 16.613 -8.479 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -25.509 15.893 1.758 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -25.837 15.604 0.876 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -25.867 15.216 2.375 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -24.964 18.821 6.433 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -25.941 18.709 6.508 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -24.604 17.937 6.659 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -18.578 15.416 3.829 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -18.195 15.420 2.927 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -19.530 15.344 3.684 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -13.783 25.542 6.826 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -13.752 24.857 6.124 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -14.480 26.142 6.540 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -26.380 21.834 1.364 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -25.927 21.387 0.605 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -26.711 21.092 1.912 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -13.473 16.934 -8.344 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -12.758 16.275 -8.454 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -13.479 17.120 -7.389 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -26.065 21.234 5.184 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -25.707 20.362 4.948 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -25.711 21.397 6.084 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -10.783 14.048 6.221 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -10.414 14.954 6.307 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -9.993 13.485 6.058 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -29.152 17.144 -2.277 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -28.408 17.776 -2.378 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -29.848 17.664 -1.861 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -28.158 22.232 -1.657 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -28.106 21.537 -0.989 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -28.006 21.761 -2.501 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -7.842 15.270 5.084 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -8.394 15.837 5.662 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -7.961 14.367 5.453 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -11.511 14.899 -8.438 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -11.567 14.305 -9.226 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -10.582 14.841 -8.164 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -25.219 17.945 -6.147 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -24.482 17.536 -6.645 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -25.407 17.306 -5.429 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -29.647 17.491 5.136 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -30.267 16.759 5.187 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -30.052 18.103 4.478 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -26.444 14.757 -0.496 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -26.826 13.956 -0.069 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -27.042 14.934 -1.249 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -27.909 14.813 -2.917 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -28.433 14.109 -2.468 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -28.452 15.630 -2.794 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -24.114 16.276 7.005 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -24.425 15.526 6.464 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -23.134 16.275 6.873 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -21.480 15.989 6.541 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -20.695 16.556 6.451 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -21.200 15.295 7.175 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -19.389 21.743 16.401 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -19.396 21.365 15.483 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -18.718 21.200 16.877 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -23.890 28.497 18.103 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -23.890 27.935 17.305 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -23.109 28.192 18.604 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -19.465 25.960 17.012 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -18.902 25.211 16.708 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -18.884 26.744 16.917 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -7.009 16.510 18.281 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -7.749 16.259 17.674 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -6.993 17.476 18.244 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -17.427 20.233 17.519 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -16.551 20.106 17.096 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -17.244 20.845 18.271 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -22.976 21.810 15.659 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -22.731 21.687 14.720 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -22.337 22.489 15.989 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -17.688 18.261 12.189 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -17.429 19.206 12.230 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -16.846 17.792 12.004 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -30.751 19.491 19.547 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -30.240 18.740 19.864 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -31.537 19.498 20.101 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -21.316 23.695 16.617 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -20.943 24.580 16.762 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -20.538 23.100 16.647 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -9.251 15.996 16.828 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -9.858 16.737 16.621 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -9.810 15.361 17.314 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -16.181 24.602 20.953 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -15.997 24.264 21.838 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -15.625 25.408 20.886 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -12.319 18.829 14.442 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -11.966 18.512 15.300 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -11.643 18.552 13.792 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -21.203 27.551 18.364 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -20.601 28.256 18.681 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -20.595 26.843 18.053 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -13.195 16.268 17.295 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -14.147 16.507 17.208 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -13.158 15.729 18.097 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -14.466 23.434 19.105 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -14.830 23.847 19.913 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -14.194 24.205 18.544 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -11.240 22.970 18.208 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -11.709 23.593 17.606 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -11.351 23.368 19.100 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -14.129 20.764 18.940 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -14.089 21.752 18.938 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -14.665 20.554 19.716 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -22.603 26.980 16.087 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -21.907 26.935 15.396 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -22.101 27.051 16.923 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -24.880 23.743 16.274 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -24.176 23.104 16.042 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -24.963 23.666 17.231 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -9.622 14.610 10.610 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -10.010 14.670 11.513 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -10.391 14.455 10.028 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -26.625 29.071 18.484 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -25.669 28.870 18.539 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -26.829 28.992 17.547 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -11.904 26.448 19.344 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -12.477 26.288 18.555 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -11.425 27.276 19.131 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -18.545 30.091 21.535 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -18.078 30.911 21.239 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -18.958 30.345 22.370 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -23.446 20.796 13.017 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -23.865 20.605 12.161 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -24.155 20.624 13.673 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -14.220 19.849 12.740 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -13.676 20.506 12.258 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -13.601 19.467 13.402 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -16.817 20.867 12.713 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -16.696 21.826 12.546 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -15.901 20.523 12.793 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -29.958 19.294 15.244 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -29.181 19.195 14.651 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -30.680 18.890 14.755 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -26.997 20.429 11.275 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -26.116 19.990 11.262 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -27.311 20.353 10.367 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -21.230 19.645 16.703 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -22.126 19.934 16.490 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -20.725 20.474 16.782 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -25.235 20.392 15.052 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -26.028 20.696 15.543 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -24.488 20.817 15.519 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -15.770 17.195 16.955 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -15.531 18.124 16.756 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -16.711 17.140 16.736 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -16.125 34.288 22.214 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -15.866 35.135 21.837 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -15.984 34.395 23.160 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -17.894 23.997 16.022 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -16.980 23.713 15.916 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -18.393 23.164 16.137 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -24.632 18.991 11.208 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -24.847 18.297 10.538 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -23.850 18.633 11.673 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -9.714 25.624 17.224 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -10.670 25.409 17.110 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -9.295 24.761 17.386 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -13.358 23.831 21.980 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -13.674 24.744 21.833 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -12.503 23.798 21.497 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -15.109 17.328 11.722 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -14.929 18.259 11.960 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -14.232 16.894 11.796 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -25.103 26.257 15.173 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -24.223 26.639 15.363 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -25.069 25.370 15.583 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -16.935 27.852 21.180 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -17.503 27.118 20.923 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -17.558 28.584 21.370 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -12.150 21.374 22.496 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -12.862 22.006 22.286 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -11.501 21.908 22.990 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -14.926 19.771 16.466 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -14.240 19.755 15.780 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -14.473 20.144 17.253 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -17.748 28.149 16.982 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -17.757 28.897 16.344 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -18.159 28.523 17.789 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -16.890 22.214 19.335 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -17.313 22.876 19.902 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -16.037 22.624 19.090 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -14.611 28.974 20.377 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -15.481 28.749 20.774 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -14.712 28.722 19.429 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -22.490 30.775 17.239 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -23.130 30.212 17.722 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -22.103 30.182 16.582 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -19.763 17.564 13.811 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -19.472 17.622 14.750 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -18.935 17.698 13.295 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -19.275 20.617 13.987 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -18.450 20.767 13.480 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -19.460 19.676 13.864 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -21.076 15.778 12.021 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -21.821 16.406 11.974 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -20.561 16.082 12.794 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -19.392 17.221 10.298 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -18.864 17.754 10.926 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -20.071 16.802 10.852 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -8.348 15.066 20.308 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -8.788 15.679 20.935 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -7.812 15.650 19.736 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -11.161 18.030 16.806 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -11.864 17.427 17.135 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -11.186 18.791 17.429 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -24.832 21.300 7.637 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -23.929 21.463 7.940 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -24.832 20.350 7.385 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -14.032 26.317 21.026 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -13.251 26.312 20.429 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -14.308 27.254 21.045 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -29.729 32.902 14.223 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -30.162 33.571 14.803 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -28.771 33.114 14.294 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -27.038 33.622 14.303 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -26.550 33.454 13.474 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -26.376 34.031 14.889 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -8.839 26.953 20.775 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -9.533 27.609 20.549 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -8.294 26.902 19.971 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -27.062 23.439 14.535 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -26.276 23.725 15.035 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -27.343 22.618 14.988 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -10.545 23.143 23.955 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -9.964 23.730 23.420 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -11.242 23.730 24.273 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -11.517 20.257 18.371 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -12.451 20.264 18.670 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -11.317 21.206 18.203 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -30.035 21.011 17.359 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -30.286 20.525 18.176 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -30.117 20.337 16.645 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -27.653 19.456 13.781 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -26.731 19.411 14.097 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -27.571 19.772 12.856 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -19.259 29.416 18.939 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -19.041 29.648 19.868 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -19.476 30.278 18.521 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -17.512 32.465 20.731 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -16.936 33.068 21.255 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -18.371 32.949 20.669 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -19.924 31.708 17.601 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -19.797 32.668 17.776 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -20.897 31.594 17.580 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -18.194 30.592 15.777 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -17.889 31.248 15.121 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -18.862 31.073 16.306 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -15.101 27.939 17.919 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -15.999 27.869 17.534 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -14.743 27.015 17.870 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -12.805 28.670 16.539 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -12.552 29.483 17.015 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -13.678 28.436 16.917 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -23.472 32.673 15.471 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -23.227 32.119 16.239 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -24.081 33.343 15.841 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -9.967 14.840 13.271 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -9.685 14.139 13.870 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -10.760 15.226 13.716 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -18.928 18.172 16.393 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -18.359 18.812 16.865 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -19.842 18.473 16.598 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -12.084 16.477 9.065 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -12.190 16.894 8.202 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -11.988 15.525 8.863 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -25.051 16.917 9.511 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -25.409 16.051 9.715 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -24.662 16.810 8.616 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -22.223 18.317 12.673 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -21.396 18.129 13.163 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -22.438 19.238 12.914 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -12.469 30.564 20.485 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -13.269 29.981 20.464 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -12.615 31.135 21.245 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -17.885 44.727 -38.111 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -18.696 44.460 -38.589 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -17.208 44.080 -38.413 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -26.664 43.501 -36.299 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -25.704 43.628 -36.117 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -26.933 44.334 -36.748 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -23.931 43.680 -36.028 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -23.754 42.710 -36.027 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -23.328 44.030 -35.334 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -14.698 46.100 -34.953 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -14.990 46.191 -35.891 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -14.142 45.292 -34.951 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -12.970 32.273 -37.879 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -12.181 32.800 -38.113 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -13.099 32.451 -36.936 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -23.342 38.885 -38.130 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -23.022 39.486 -38.816 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -22.634 38.207 -38.057 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -14.070 37.391 -41.133 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -15.027 37.414 -41.344 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -13.880 36.445 -41.004 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -23.502 41.029 -35.938 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -24.136 40.576 -35.344 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -23.125 40.312 -36.476 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -9.453 37.474 -33.605 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -10.239 37.540 -33.036 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -9.396 36.518 -33.821 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -21.172 37.190 -37.658 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -20.226 37.398 -37.611 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -21.476 37.252 -36.724 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -18.115 43.946 -41.795 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -17.929 44.338 -42.652 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -17.442 43.234 -41.705 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -21.216 46.756 -34.496 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -21.684 45.901 -34.403 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -20.459 46.547 -35.096 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -14.283 34.680 -40.411 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -14.065 33.737 -40.484 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -15.255 34.687 -40.293 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -25.861 39.026 -37.056 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -26.330 38.282 -37.451 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -24.948 38.960 -37.425 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -22.119 44.189 -34.061 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -21.234 43.882 -33.748 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -22.676 44.165 -33.257 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -9.926 31.133 -38.539 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -10.792 30.866 -38.857 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -9.999 32.104 -38.431 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -16.873 33.827 -39.776 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -17.768 33.415 -39.864 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -16.265 33.062 -39.725 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -19.038 45.858 -35.812 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -18.587 45.477 -36.589 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -18.345 45.882 -35.120 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -15.562 46.113 -37.513 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -16.462 45.766 -37.680 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -15.108 46.002 -38.351 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -13.496 43.585 -35.192 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -12.530 43.485 -35.282 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -13.819 42.673 -35.081 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -18.470 40.405 -40.522 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -19.324 40.600 -40.093 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -17.972 39.906 -39.849 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -14.576 41.055 -37.691 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -13.779 40.666 -38.116 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -14.380 41.014 -36.736 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -16.361 41.850 -41.473 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -17.133 41.264 -41.301 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -15.584 41.250 -41.387 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -23.549 41.702 -39.674 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -23.910 41.634 -40.566 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -24.346 41.660 -39.086 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -23.413 44.354 -38.628 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -23.545 44.174 -37.670 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -23.409 43.471 -39.036 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -20.951 40.165 -36.697 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -21.119 40.987 -36.213 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -20.778 40.460 -37.616 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -23.581 40.097 -32.369 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -22.673 39.814 -32.613 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -24.124 39.863 -33.153 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -19.905 43.803 -39.755 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -20.576 44.468 -39.952 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -19.282 43.852 -40.523 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -19.327 47.098 -32.395 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -20.058 46.927 -33.017 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -18.529 46.770 -32.869 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -26.077 44.992 -33.274 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -26.753 44.297 -33.397 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -26.392 45.504 -32.498 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -9.264 44.472 -29.752 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -9.093 44.006 -30.600 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -10.165 44.854 -29.867 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -23.813 44.275 -31.936 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -24.240 43.468 -31.585 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -24.495 44.664 -32.527 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -19.409 32.902 -39.898 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -20.023 32.168 -39.971 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -19.988 33.695 -39.833 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -15.466 35.893 -36.715 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -15.733 35.200 -36.062 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -16.313 36.293 -36.988 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -21.688 38.031 -35.148 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -21.582 38.336 -34.225 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -21.388 38.797 -35.688 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -16.576 39.083 -38.949 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -15.818 39.687 -38.839 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -16.377 38.600 -39.777 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -13.197 35.897 -38.205 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -13.436 35.513 -39.076 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -14.055 35.945 -37.723 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -27.233 40.413 -32.497 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -26.963 39.603 -31.990 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -28.137 40.600 -32.180 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -20.797 35.267 -39.683 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -21.215 35.835 -39.011 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -19.914 35.671 -39.819 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -9.655 54.319 -25.060 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -10.410 54.122 -24.504 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -9.579 53.559 -25.639 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -25.802 41.621 -38.175 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -25.950 40.774 -37.714 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -26.206 42.288 -37.583 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -27.781 42.887 -33.836 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -27.563 43.094 -34.775 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -27.396 42.004 -33.692 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -8.970 42.871 -32.006 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -9.094 43.498 -32.754 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -8.991 41.990 -32.430 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -27.119 45.954 -37.486 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -27.787 46.351 -38.053 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -26.262 46.237 -37.889 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -20.837 41.272 -39.213 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -20.440 42.167 -39.317 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -21.786 41.410 -39.415 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -19.760 43.512 -32.905 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -18.879 43.459 -33.336 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -19.572 43.877 -32.025 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -13.729 47.690 -30.961 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -13.598 47.842 -31.926 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -14.598 48.099 -30.772 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -25.333 39.697 -34.436 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -26.125 39.827 -33.879 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -25.690 39.367 -35.289 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -16.004 42.963 -38.987 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -16.107 42.705 -39.927 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -15.363 42.311 -38.631 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -15.582 37.151 -32.216 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -16.299 37.717 -31.889 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -15.739 37.110 -33.181 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -14.019 40.806 -34.930 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -14.252 39.875 -35.156 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -13.201 40.721 -34.393 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -10.024 48.100 -36.244 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -9.674 48.326 -37.111 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -9.305 47.563 -35.829 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -28.565 48.566 -33.321 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -27.880 48.768 -32.657 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -28.092 48.023 -33.993 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -23.693 47.896 -31.702 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -22.995 47.231 -31.498 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -23.293 48.445 -32.415 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -26.204 46.592 -31.081 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -25.254 46.739 -31.263 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -26.587 47.495 -31.098 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -25.221 41.973 -31.288 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -26.054 41.608 -31.645 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -24.529 41.360 -31.630 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -21.147 38.837 -32.630 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -21.329 38.379 -31.789 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -20.198 38.631 -32.812 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -21.532 37.188 -30.372 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -20.627 37.413 -30.069 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -21.388 36.509 -31.070 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -17.799 37.362 -37.178 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -17.641 37.577 -36.229 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -17.367 38.098 -37.668 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -23.526 38.981 -29.867 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -23.715 39.206 -30.806 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -22.817 38.302 -29.923 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -18.370 35.299 -33.057 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -18.329 36.284 -33.154 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -17.911 35.122 -32.207 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -18.968 38.277 -30.380 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -18.721 39.225 -30.410 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -18.843 37.976 -31.312 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -26.362 38.272 -31.101 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -26.284 38.094 -30.144 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -25.676 37.695 -31.508 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -21.059 35.854 -32.736 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -21.237 36.221 -33.613 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -20.153 35.484 -32.815 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -24.200 36.812 -32.014 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -23.691 36.615 -32.808 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -23.685 36.418 -31.298 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -9.574 44.401 -34.201 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -10.053 43.683 -34.671 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -10.249 45.118 -34.109 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -12.318 40.081 -38.859 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -11.589 40.656 -38.546 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -11.933 39.177 -38.845 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -11.033 37.630 -38.392 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -11.829 37.053 -38.381 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -10.487 37.301 -37.640 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -11.309 46.455 -34.296 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -11.037 47.007 -35.050 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -12.029 46.966 -33.876 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -14.383 40.077 -40.706 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -14.248 39.147 -40.991 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -13.593 40.274 -40.167 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -10.651 33.764 -38.168 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -10.913 34.094 -37.281 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -10.275 34.538 -38.606 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -14.568 38.217 -35.502 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -15.478 38.191 -35.107 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -14.581 37.494 -36.158 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -9.696 34.835 -34.519 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -9.479 33.979 -34.079 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -10.562 34.670 -34.943 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -8.091 46.483 -35.254 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -8.536 45.657 -34.964 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -7.348 46.573 -34.652 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -21.917 45.995 -30.924 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -22.590 45.315 -31.142 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -21.077 45.493 -30.877 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -22.056 49.116 -33.489 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -21.201 49.437 -33.186 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -21.840 48.301 -33.999 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -21.061 47.946 -29.191 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -21.339 47.255 -29.827 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -20.105 48.066 -29.374 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -18.381 48.000 -30.015 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -18.729 47.624 -30.860 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -17.526 48.396 -30.268 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -9.382 32.336 -33.461 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -8.610 31.784 -33.318 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -10.082 31.702 -33.739 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -17.189 46.061 -33.682 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -16.289 46.241 -34.020 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -17.081 45.252 -33.138 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -13.439 48.109 -33.616 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -14.004 47.505 -34.148 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -13.134 48.785 -34.262 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -12.115 49.707 -35.378 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -11.837 50.617 -35.501 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -11.354 49.176 -35.694 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -24.768 46.731 -38.560 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -24.269 45.896 -38.711 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -24.104 47.348 -38.238 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -18.232 36.152 -39.591 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -17.683 35.333 -39.605 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -18.116 36.501 -38.681 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -15.456 35.802 -46.772 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -14.848 36.229 -47.375 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -14.995 35.013 -46.484 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -16.779 37.597 -41.372 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -17.327 37.946 -42.086 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -17.395 37.034 -40.850 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -16.731 35.098 -30.809 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -16.198 34.886 -30.024 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -16.145 35.660 -31.351 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -11.818 45.463 -29.831 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -11.925 46.266 -29.276 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -12.370 45.642 -30.609 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -16.312 42.421 -23.966 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -15.517 42.608 -24.520 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -17.042 42.349 -24.618 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -18.088 40.089 -20.976 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -17.802 39.453 -21.662 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -17.805 39.671 -20.128 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -25.283 42.509 -14.195 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -24.559 43.092 -14.497 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -25.070 41.650 -14.578 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -11.719 44.543 -24.304 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -11.897 45.007 -23.461 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -11.552 45.258 -24.942 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -14.668 43.875 -19.779 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -15.338 43.338 -20.258 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -14.462 43.344 -18.986 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -21.324 40.888 -15.141 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -20.723 41.299 -15.803 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -21.918 40.311 -15.678 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -17.451 38.376 -23.127 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -17.504 38.321 -24.112 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -18.142 37.757 -22.819 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -24.936 37.807 -22.323 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -24.489 38.054 -23.157 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -25.824 38.202 -22.402 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -22.907 34.330 -18.585 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -21.939 34.483 -18.491 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -23.170 34.926 -19.317 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -13.889 34.918 -23.062 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -14.179 35.392 -22.253 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -13.136 35.457 -23.401 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -23.985 36.281 -20.268 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -24.269 36.785 -21.069 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -24.755 36.314 -19.684 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -12.373 45.270 -19.124 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -13.257 44.922 -19.370 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -12.530 46.199 -18.924 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -11.601 45.441 -21.694 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -10.657 45.292 -21.893 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -11.662 45.327 -20.721 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -18.246 42.200 -25.962 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -18.663 41.314 -25.948 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -18.971 42.808 -25.689 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -12.007 40.812 -16.882 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -11.031 40.821 -16.736 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -12.317 40.050 -16.350 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -13.787 40.517 -18.945 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -13.053 40.525 -18.297 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -13.447 41.066 -19.690 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -17.380 46.176 -16.192 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -17.452 46.417 -15.243 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -16.769 45.415 -16.197 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -19.386 47.655 -19.824 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -19.829 47.498 -20.695 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -19.090 48.586 -19.876 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -11.440 46.289 -26.462 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -11.890 45.454 -26.732 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -11.821 46.968 -27.062 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -18.700 45.478 -18.415 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -18.714 46.217 -19.066 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -18.219 45.855 -17.636 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -16.863 48.899 -27.523 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -17.633 48.435 -27.893 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -17.069 48.985 -26.565 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -16.863 49.103 -24.725 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -17.179 48.723 -23.875 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -15.895 48.980 -24.693 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -19.281 31.982 -17.355 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -18.718 32.542 -17.918 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -18.645 31.401 -16.886 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -17.424 37.263 -28.363 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -17.998 37.577 -29.094 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -17.084 36.414 -28.676 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -22.774 38.998 -16.520 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -23.498 38.349 -16.399 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -22.182 38.574 -17.175 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -15.189 39.953 -23.294 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -15.603 40.827 -23.442 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -15.950 39.334 -23.238 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -14.170 38.729 -21.032 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -14.104 39.358 -20.288 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -14.414 39.289 -21.799 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -19.641 38.609 -15.575 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -20.275 39.276 -15.253 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -18.785 39.088 -15.604 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -25.619 38.199 -28.371 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -25.873 39.017 -27.899 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -24.791 38.444 -28.845 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -28.929 39.224 -20.495 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -28.257 38.962 -19.854 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -28.474 39.143 -21.365 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -27.909 39.102 -25.607 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -27.527 38.225 -25.808 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -27.253 39.735 -25.980 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -17.156 38.792 -18.726 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -17.463 37.916 -18.403 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -16.459 39.041 -18.099 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -21.507 37.541 -20.620 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -21.253 37.702 -19.683 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -22.378 37.097 -20.556 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -23.783 38.460 -24.859 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -22.873 38.142 -24.665 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -23.639 39.267 -25.394 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -17.381 35.216 -21.155 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -17.333 34.875 -22.074 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -16.510 35.656 -21.017 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -23.222 40.759 -26.367 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -23.318 41.617 -25.896 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -22.987 41.018 -27.286 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -20.723 39.718 -22.167 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -21.044 39.072 -21.508 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -19.932 40.108 -21.752 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -27.399 36.005 -23.808 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -26.979 35.152 -23.650 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -26.952 36.344 -24.621 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -20.892 37.583 -17.983 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -20.647 36.639 -18.080 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -20.251 37.929 -17.333 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -13.411 43.198 -17.258 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -12.936 42.353 -17.088 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -12.726 43.786 -17.622 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -17.767 38.237 -25.806 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -17.512 37.825 -26.660 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -18.457 38.879 -26.049 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -22.934 43.806 -15.146 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -22.609 43.188 -14.461 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -22.506 44.663 -14.915 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -14.338 37.310 -26.559 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -14.461 38.165 -26.112 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -13.363 37.190 -26.578 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -22.415 42.118 -12.877 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -22.760 41.461 -12.237 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -21.917 41.577 -13.531 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -17.322 46.194 -13.454 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -16.693 45.469 -13.273 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -17.182 46.826 -12.704 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -11.950 36.459 -24.195 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -11.830 36.533 -25.168 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -11.329 37.105 -23.833 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -14.175 49.360 -27.204 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -14.024 49.226 -26.244 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -15.138 49.227 -27.313 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -16.653 42.437 -21.174 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -16.556 42.528 -22.148 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -17.173 41.608 -21.065 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -27.088 43.816 -26.903 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -27.302 44.558 -27.501 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -26.342 43.366 -27.344 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -17.463 43.064 -18.509 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -17.905 43.937 -18.611 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -17.267 42.787 -19.427 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -12.459 47.795 -28.551 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -12.997 48.437 -28.028 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -12.824 47.872 -29.464 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -24.729 37.037 -16.217 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -25.055 36.417 -16.905 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -25.542 37.302 -15.731 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -17.734 33.921 -18.761 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -17.573 34.319 -19.650 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -16.831 33.677 -18.439 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -17.538 34.454 -23.771 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -16.827 34.656 -24.428 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -18.311 34.929 -24.107 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -19.944 39.996 -26.031 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -20.744 40.340 -26.446 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -20.279 39.335 -25.384 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -17.835 36.465 -17.491 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -18.379 36.313 -16.702 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -17.756 35.587 -17.899 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -25.981 37.071 -25.891 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -25.192 37.488 -25.481 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -25.829 37.172 -26.855 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -14.846 36.160 -20.796 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -14.663 37.122 -20.947 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -14.422 35.972 -19.949 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -25.934 40.490 -26.838 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -26.051 41.283 -27.395 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -25.023 40.575 -26.495 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -19.799 45.344 -12.685 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -19.001 45.785 -13.055 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -19.459 44.865 -11.904 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -15.907 43.822 -16.279 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -15.004 43.573 -16.579 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -16.497 43.457 -16.974 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -23.724 40.661 -10.846 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -24.251 41.284 -10.293 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -24.331 39.906 -10.993 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -18.154 38.972 -12.171 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -17.952 39.077 -13.110 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -18.317 39.884 -11.858 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -22.067 35.192 -10.621 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -22.802 35.827 -10.785 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -22.026 34.661 -11.446 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -19.967 35.885 -15.625 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -20.905 35.679 -15.426 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -19.881 36.839 -15.405 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -19.292 41.866 -16.775 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -18.773 42.258 -17.505 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -18.648 41.300 -16.307 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -17.424 40.278 -15.386 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -16.662 39.973 -15.932 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -17.003 40.763 -14.643 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -23.846 37.130 -11.288 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -24.610 37.669 -10.994 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -23.717 37.386 -12.208 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -20.293 34.858 -18.154 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -19.483 34.421 -18.485 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -20.141 34.946 -17.189 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -25.516 42.354 -9.633 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -26.353 41.890 -9.859 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -25.799 43.081 -9.044 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -18.945 34.307 -11.272 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -18.735 35.266 -11.226 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -19.150 34.153 -12.205 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -22.581 49.088 -21.687 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -21.690 48.777 -21.978 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -23.075 48.254 -21.509 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -16.250 41.433 -13.144 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -16.001 42.376 -13.257 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -16.955 41.454 -12.460 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -11.823 39.584 -27.720 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -11.349 40.423 -27.520 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -12.546 39.563 -27.064 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -10.795 40.591 -24.419 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -10.667 41.202 -23.659 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -10.148 39.864 -24.256 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -14.224 42.525 -25.721 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -13.592 43.121 -26.168 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -13.775 41.660 -25.717 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -13.296 39.871 -25.341 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -13.908 39.834 -24.571 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -12.414 40.040 -24.939 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -15.154 39.493 -16.756 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -14.801 39.935 -17.559 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -14.372 39.074 -16.354 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -12.680 38.550 -15.454 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -12.107 38.937 -14.758 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -12.589 37.585 -15.318 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -15.134 35.420 -28.429 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -15.223 34.707 -27.775 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -14.968 36.223 -27.880 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -15.426 35.084 -25.360 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -14.832 34.915 -24.596 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -15.111 35.937 -25.724 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -13.062 34.899 -17.370 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -12.478 34.380 -17.956 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -12.465 35.207 -16.650 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -27.252 43.639 -12.596 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -27.615 44.140 -13.357 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -26.636 42.997 -13.012 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -25.601 35.068 -17.942 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -24.902 34.505 -18.326 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -26.424 34.801 -18.424 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -30.402 36.266 -16.627 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -31.075 36.476 -17.304 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -30.114 37.137 -16.300 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -13.588 36.448 -30.524 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -14.127 36.117 -29.776 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -14.251 36.679 -31.214 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -27.609 38.585 -22.866 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -27.817 39.018 -23.720 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -27.624 37.626 -23.077 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -10.578 42.675 -22.688 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -11.082 43.178 -23.370 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -9.852 43.282 -22.441 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -26.965 34.544 -15.594 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -26.822 33.605 -15.344 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -26.457 34.652 -16.426 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -18.106 50.323 -12.187 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -17.651 50.893 -12.840 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -18.557 50.943 -11.604 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -21.694 47.225 -10.960 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -21.203 47.777 -11.613 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -21.015 46.981 -10.296 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -21.496 46.084 -14.639 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -20.848 45.897 -13.917 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -20.955 46.456 -15.351 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -16.828 52.129 -13.959 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -15.870 52.228 -13.896 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -17.129 52.966 -14.339 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -13.598 31.590 -19.230 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -13.733 31.718 -20.202 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -12.741 32.035 -19.050 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -14.012 32.389 -21.785 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -13.807 33.188 -22.306 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -14.942 32.184 -22.022 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -28.938 35.622 -21.374 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -29.747 36.165 -21.408 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -28.561 35.699 -22.267 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -15.212 33.333 -17.859 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -14.720 32.745 -18.471 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -14.550 34.013 -17.596 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -21.107 38.148 -24.324 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -20.616 37.378 -23.991 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -21.046 38.804 -23.586 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -17.496 48.129 -22.205 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -16.964 47.390 -21.837 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -18.415 47.796 -22.187 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -8.985 44.945 -22.526 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -9.004 45.444 -23.380 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -8.180 45.246 -22.096 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -24.033 45.422 -28.661 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -24.039 46.392 -28.721 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -24.962 45.174 -28.734 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -17.853 39.919 -6.835 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -18.200 39.789 -5.918 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -16.981 40.342 -6.698 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -18.669 41.642 -1.390 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -19.084 41.669 -0.489 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -18.425 40.697 -1.508 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -16.871 44.438 -5.248 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -16.879 43.562 -4.824 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -16.531 45.039 -4.548 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -20.358 43.690 -2.286 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -19.693 42.997 -2.088 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -20.067 44.463 -1.755 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -20.498 43.023 -7.282 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -19.943 43.827 -7.220 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -21.045 43.055 -6.488 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -22.012 42.593 -0.261 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -22.169 43.528 -0.033 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -21.562 42.634 -1.123 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -16.538 42.983 -0.269 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -17.336 42.487 -0.522 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -16.843 43.578 0.450 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -18.406 39.750 -4.200 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -17.890 40.478 -3.820 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -18.443 39.089 -3.492 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -17.223 44.804 1.585 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -17.877 45.456 1.923 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -17.101 44.178 2.333 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -21.344 39.387 -9.850 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -22.090 39.893 -10.229 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -20.685 40.075 -9.606 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -18.027 37.375 -7.853 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -18.041 38.313 -7.544 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -17.359 36.953 -7.284 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -23.410 43.587 2.828 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -22.530 43.787 3.224 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -23.344 42.641 2.569 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -18.056 36.756 -10.565 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -18.111 37.543 -11.167 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -17.863 37.143 -9.688 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -21.161 44.899 -4.603 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -21.879 45.446 -4.270 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -20.878 44.372 -3.823 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -20.878 44.347 3.494 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -20.231 45.012 3.204 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -20.403 43.838 4.185 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -17.295 48.341 0.833 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -17.075 47.700 0.132 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -16.757 49.111 0.628 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -19.246 45.329 -6.477 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -18.420 45.168 -5.979 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -19.950 45.301 -5.790 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -17.123 47.285 -8.690 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -16.846 46.345 -8.714 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -16.800 47.604 -7.822 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -14.273 37.776 -13.034 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -13.447 37.267 -13.229 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -14.526 38.147 -13.889 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -29.083 44.346 4.722 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -28.573 44.217 5.552 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -29.422 45.276 4.794 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -13.878 43.093 -0.272 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -13.759 42.465 -1.013 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -14.853 43.228 -0.234 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -18.940 39.964 3.227 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -18.265 39.261 3.075 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -18.958 40.066 4.204 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -19.398 41.029 -8.844 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -18.817 40.638 -8.155 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -19.831 41.787 -8.386 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -16.585 42.956 6.093 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -15.710 43.316 6.351 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -16.567 42.970 5.116 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -13.841 43.573 6.185 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -13.231 44.203 5.783 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -13.664 42.733 5.711 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -16.677 41.966 -3.420 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -15.839 41.766 -2.945 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -17.316 42.149 -2.706 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -15.824 46.103 -3.318 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -14.944 45.903 -2.981 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -16.368 46.227 -2.507 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -17.216 42.698 3.372 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -18.080 42.481 3.767 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -16.893 41.844 3.015 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -16.646 44.573 -8.307 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -15.973 43.860 -8.424 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -16.953 44.459 -7.394 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -26.279 33.626 2.649 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -26.306 32.661 2.692 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -26.409 33.829 1.710 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -15.055 42.400 -8.236 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -14.719 41.727 -8.840 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -15.185 41.924 -7.389 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -19.729 46.399 -9.051 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -18.904 46.928 -9.079 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -19.777 46.089 -8.123 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -25.918 38.933 -10.889 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -26.633 38.623 -11.472 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -26.340 39.628 -10.349 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -26.718 49.210 7.729 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -26.060 49.341 8.416 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -26.221 48.798 6.993 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -18.551 44.285 -10.410 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -19.139 44.936 -9.972 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -17.771 44.243 -9.822 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -30.392 41.047 5.515 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -30.547 41.676 6.249 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -29.753 40.402 5.886 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -18.238 41.644 -11.251 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -18.592 41.335 -10.387 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -18.347 42.619 -11.212 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -14.015 42.261 2.428 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -14.768 41.634 2.372 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -13.933 42.617 1.520 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -22.944 41.059 1.787 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -22.636 41.453 0.936 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -22.331 40.317 1.943 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -18.928 39.997 5.983 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -19.094 39.033 5.923 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -18.203 40.075 6.643 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -14.195 40.226 -11.730 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -14.911 40.690 -12.208 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -14.242 39.309 -12.064 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -24.164 39.334 3.624 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -24.186 39.971 2.888 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -23.227 39.044 3.651 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -19.501 41.680 1.145 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -19.275 41.086 1.894 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -20.273 42.169 1.455 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -13.549 38.559 4.798 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -14.125 38.105 4.140 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -13.254 37.846 5.395 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -15.977 40.368 2.317 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -15.971 39.544 2.855 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -15.863 40.052 1.407 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -24.841 37.451 5.619 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -24.941 36.534 5.258 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -24.650 37.998 4.834 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -25.126 34.872 4.821 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -25.536 34.546 3.988 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -25.080 34.091 5.379 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -22.542 31.742 6.363 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -21.600 31.493 6.465 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -22.515 32.588 5.911 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -15.996 47.183 -6.102 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -15.948 46.230 -6.254 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -15.929 47.273 -5.140 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -15.485 41.166 -5.799 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -14.550 41.175 -5.505 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -15.985 41.439 -5.006 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -12.896 41.577 -4.841 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -12.415 40.727 -4.727 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -12.266 42.145 -5.302 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -10.721 41.001 4.429 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -10.786 41.931 4.124 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -11.592 40.824 4.819 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -11.398 40.360 -11.401 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -11.130 39.885 -12.209 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -12.369 40.454 -11.487 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -14.792 36.891 8.052 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -14.533 36.206 8.704 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -13.984 37.023 7.514 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -13.509 41.197 4.912 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -13.698 41.532 4.008 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -13.584 40.211 4.823 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -26.228 40.384 5.117 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -25.720 40.555 5.917 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -25.583 39.961 4.511 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -7.951 32.735 5.194 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -8.246 33.505 5.722 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -8.212 31.954 5.741 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -12.492 36.626 2.550 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -13.444 36.876 2.574 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -12.035 37.461 2.395 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -25.481 48.049 5.540 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -26.355 48.127 5.093 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -25.103 47.212 5.185 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -23.872 48.738 1.851 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -23.895 49.284 2.663 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -24.743 48.290 1.844 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -17.128 46.121 -0.890 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -18.094 45.975 -0.946 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -16.862 45.631 -0.084 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -22.263 45.149 0.686 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -23.155 45.400 0.337 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -22.452 44.766 1.564 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -15.523 44.052 -13.592 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -15.683 44.013 -14.565 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -14.566 44.154 -13.513 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -11.841 30.970 17.854 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -12.256 30.960 18.742 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -10.882 31.045 18.042 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -20.325 34.302 13.363 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -21.285 34.104 13.291 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -19.894 33.494 13.034 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -14.606 34.180 12.430 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -15.271 34.611 12.985 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -14.060 33.668 13.061 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -13.144 32.281 13.915 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -13.808 32.345 14.642 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -12.376 31.828 14.333 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -15.250 32.644 15.645 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -16.048 32.568 15.094 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -15.592 32.631 16.562 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -19.914 33.702 20.548 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -19.863 34.043 19.628 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -20.766 34.009 20.867 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -17.217 36.379 6.792 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -17.412 35.772 7.529 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -16.337 36.743 7.013 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -16.998 38.289 9.280 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -17.111 39.161 8.853 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -16.184 37.934 8.877 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -11.853 26.044 8.677 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -11.058 26.003 8.136 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -12.587 25.856 8.042 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -20.815 35.487 15.805 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -21.638 35.947 15.575 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -20.523 35.089 14.966 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -16.766 40.567 7.574 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -15.799 40.441 7.695 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -16.836 41.448 7.150 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -16.783 31.359 6.354 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -17.307 30.959 7.097 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -17.467 31.596 5.690 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -21.023 36.804 12.378 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -20.673 35.955 12.696 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -20.330 37.135 11.781 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -19.639 33.909 7.550 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -18.747 34.103 7.885 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -19.579 32.978 7.221 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -30.978 34.756 15.799 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -30.722 35.409 16.486 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -31.939 34.785 15.793 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -25.036 36.706 9.727 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -24.432 36.461 8.979 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -24.459 37.160 10.352 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -17.641 35.047 12.887 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -18.510 35.082 13.320 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -17.731 35.661 12.129 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -22.971 33.608 13.036 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -23.165 33.189 13.916 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -23.841 33.609 12.576 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -18.563 36.556 10.724 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -18.405 35.835 10.087 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -18.121 37.337 10.313 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -16.815 32.414 17.981 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -17.224 31.582 17.714 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -16.897 32.419 18.955 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -21.480 38.788 3.197 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -21.307 37.980 3.703 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -20.595 39.183 3.072 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -25.537 33.692 11.941 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -26.222 34.210 11.469 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -25.025 33.258 11.217 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -17.254 34.750 8.983 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -16.830 33.870 8.872 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -16.546 35.303 9.354 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -14.334 34.777 9.785 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -14.395 34.597 10.754 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -14.665 33.955 9.367 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -30.299 40.042 8.509 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -29.522 39.884 7.934 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -30.431 41.008 8.467 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -21.111 31.984 11.804 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -20.909 32.480 10.981 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -21.822 32.509 12.227 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -21.005 35.961 6.404 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -20.338 36.451 5.882 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -20.517 35.181 6.744 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -17.343 32.468 13.795 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -17.364 33.397 13.469 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -16.978 31.966 13.053 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -21.192 33.910 9.805 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -21.268 34.864 9.935 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -20.685 33.824 8.966 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -25.023 34.989 15.767 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -24.353 35.510 15.272 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -25.473 35.642 16.313 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -19.304 42.715 5.271 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -19.429 41.800 5.598 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -18.522 43.036 5.761 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -19.050 37.359 5.113 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -18.415 36.968 5.764 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -18.504 37.489 4.304 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -14.044 40.824 7.607 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -13.833 40.829 6.654 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -13.778 41.698 7.912 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -24.145 45.876 4.419 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -23.200 46.009 4.547 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -24.199 45.097 3.836 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -11.301 33.563 10.442 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -11.875 34.310 10.211 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -11.931 32.834 10.646 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -13.192 31.724 11.240 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -14.142 31.692 11.057 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -13.140 31.927 12.205 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -11.924 29.375 10.635 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -12.271 30.198 11.044 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -12.148 29.465 9.705 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -23.109 36.193 14.159 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -23.201 35.385 13.625 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -22.534 36.772 13.616 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -15.637 32.598 8.595 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -15.814 31.850 9.214 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -15.847 32.227 7.710 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -27.267 35.394 10.527 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -27.625 36.035 11.152 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -26.469 35.837 10.156 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -10.494 28.804 19.636 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -11.186 29.387 20.013 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -9.975 29.396 19.055 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -19.578 34.388 17.935 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -18.645 34.532 17.723 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -20.066 34.890 17.235 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -9.873 32.601 12.665 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -9.572 33.318 13.241 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -10.390 33.051 11.968 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -16.414 30.578 10.206 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -17.199 30.506 9.598 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -16.370 29.714 10.637 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -22.192 49.918 -25.360 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -22.599 49.436 -26.088 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -22.942 50.168 -24.787 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -19.935 49.934 -23.820 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -19.952 49.138 -23.241 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -20.659 49.774 -24.465 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -23.855 48.370 -29.034 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -23.896 48.321 -30.015 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -22.893 48.377 -28.838 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -15.861 49.252 -30.063 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -16.143 49.157 -29.127 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -15.469 50.130 -30.103 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -20.519 53.300 -18.526 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -20.822 53.112 -17.610 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -21.172 52.824 -19.093 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -23.701 54.104 -14.787 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -24.334 54.673 -15.269 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -24.239 53.705 -14.078 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -17.179 50.836 -18.246 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -16.398 51.031 -18.800 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -17.835 50.478 -18.883 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -9.084 46.506 -24.771 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -9.982 46.685 -25.094 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -8.557 46.408 -25.587 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -22.371 52.003 -20.015 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -23.096 51.373 -19.953 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -22.385 52.294 -20.952 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -18.491 50.695 -15.774 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -18.017 50.661 -16.631 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -17.832 51.040 -15.150 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -17.013 51.272 -22.832 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -17.309 50.740 -23.597 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -17.780 51.845 -22.627 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -29.555 52.649 -22.026 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -29.528 52.478 -21.064 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -29.159 53.548 -22.123 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -19.815 55.214 -20.340 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -20.212 54.642 -19.644 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -18.970 55.491 -19.961 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -22.488 52.880 -22.633 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -22.452 53.858 -22.526 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -21.746 52.683 -23.245 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -18.602 50.238 -20.527 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -18.117 49.780 -21.245 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -18.856 51.097 -20.922 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -26.158 55.333 -15.152 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -26.158 54.720 -14.387 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -26.787 56.016 -14.908 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -14.508 50.217 -22.364 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -14.269 50.710 -21.569 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -15.431 50.494 -22.545 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -21.796 55.493 -22.267 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -21.665 56.350 -22.681 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -21.155 55.484 -21.525 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -15.864 52.098 -20.355 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -16.286 51.870 -21.204 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -16.392 52.846 -20.019 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -20.278 52.554 -24.196 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -20.199 52.684 -25.147 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -20.102 51.587 -24.069 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -22.454 49.236 -18.975 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -21.855 49.946 -18.709 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -22.447 49.271 -19.954 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -21.061 54.780 -14.229 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -21.028 55.521 -13.621 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -22.019 54.628 -14.373 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -21.590 52.764 -16.039 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -21.045 53.340 -15.464 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -22.506 53.051 -15.856 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -24.666 51.222 -12.175 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -24.086 50.772 -12.801 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -24.590 50.686 -11.355 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -21.087 50.172 -15.064 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -20.141 50.208 -15.339 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -21.463 51.003 -15.417 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -17.014 47.867 -11.373 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -17.346 48.769 -11.542 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -16.992 47.797 -10.394 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -25.917 53.481 -13.068 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -25.469 52.670 -12.728 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -26.722 53.556 -12.513 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -30.274 52.111 -19.319 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -30.119 52.792 -18.632 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -31.210 52.221 -19.551 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -28.660 55.167 -22.476 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -28.604 55.428 -23.402 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -28.489 55.979 -21.989 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -17.792 53.498 -18.794 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -18.765 53.487 -18.692 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -17.507 52.644 -18.423 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -23.566 46.655 -21.179 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -24.159 46.354 -21.900 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -22.689 46.245 -21.401 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -26.703 50.675 -23.937 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -25.731 50.616 -23.787 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -27.042 51.075 -23.130 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -16.071 45.829 -21.479 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -15.495 45.400 -20.825 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -16.269 45.129 -22.112 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -14.071 48.739 -24.567 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -14.105 49.330 -23.776 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -13.632 47.943 -24.246 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -24.019 50.689 -23.347 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -23.580 50.057 -22.733 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -23.593 51.551 -23.142 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -19.031 52.819 -21.792 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -19.231 53.637 -21.299 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -19.572 52.893 -22.606 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -23.060 48.310 -14.086 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -22.529 47.515 -14.275 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -22.528 49.042 -14.450 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -20.260 48.652 -12.835 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -20.620 49.185 -13.568 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -19.392 49.056 -12.653 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -25.437 50.198 -0.024 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -24.626 49.734 0.252 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -25.580 50.866 0.681 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -19.014 46.715 2.309 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -18.356 47.380 2.008 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -19.878 47.121 2.081 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -26.625 48.272 1.675 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -27.436 47.796 1.396 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -26.477 48.927 0.966 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -26.595 50.473 -2.476 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -26.204 50.329 -1.580 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -25.807 50.562 -3.066 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -30.594 56.995 -13.588 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -31.089 57.722 -13.975 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -30.857 56.215 -14.122 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -24.411 50.932 -4.004 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -23.573 51.356 -3.796 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -24.282 50.580 -4.915 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -25.726 51.548 2.358 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -26.616 51.490 2.767 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -25.135 51.132 3.018 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -26.741 48.717 -9.100 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -27.584 48.624 -9.575 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -27.003 49.028 -8.208 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -28.591 48.967 -1.132 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -29.442 49.006 -1.618 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -27.960 49.442 -1.712 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -21.386 47.682 1.306 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -21.789 46.841 1.026 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -22.155 48.254 1.516 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -26.334 53.845 0.943 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -26.113 54.628 1.487 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -25.998 53.090 1.465 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -28.223 51.261 -4.654 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -27.696 50.971 -3.881 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -28.141 52.222 -4.650 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -25.596 55.860 2.748 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -24.953 56.534 2.507 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -25.912 56.131 3.615 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -27.754 49.485 -6.670 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -28.018 50.240 -6.095 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -27.577 48.764 -6.038 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -28.176 51.460 -8.750 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -28.060 50.812 -8.032 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -27.307 51.512 -9.164 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -19.922 45.877 -0.656 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -19.961 46.815 -0.414 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -20.627 45.465 -0.115 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -24.262 49.461 -10.093 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -23.524 48.902 -9.804 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -25.041 49.090 -9.626 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -23.819 50.079 -6.535 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -23.835 50.637 -7.319 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -23.654 49.179 -6.887 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -24.237 50.115 4.227 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -23.516 50.392 4.802 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -24.721 49.438 4.754 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 3.507 -12.310 15.314 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 4.049 -11.503 15.249 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 4.125 -12.984 15.682 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 3.866 -14.098 19.015 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 3.750 -13.154 19.282 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 3.020 -14.333 18.613 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 2.612 -10.003 17.373 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 1.937 -10.709 17.234 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 3.298 -10.192 16.702 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -4.359 -10.556 16.400 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -4.458 -10.475 15.446 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -3.388 -10.470 16.547 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 0.960 -12.458 14.489 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 1.918 -12.427 14.745 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 0.918 -13.148 13.819 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 4.691 -9.774 15.463 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 4.130 -9.319 14.780 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 5.582 -9.748 15.089 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -0.050 -14.010 18.658 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -0.403 -14.827 18.289 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -0.158 -14.113 19.613 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -1.755 -10.489 24.347 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -2.307 -11.286 24.385 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -2.203 -9.925 23.686 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 3.348 -11.500 19.577 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 3.155 -10.884 18.841 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 3.919 -10.979 20.183 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 4.683 -7.584 17.236 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 3.814 -7.672 17.645 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 4.775 -8.395 16.698 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 5.746 -15.681 23.484 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 6.126 -14.832 23.162 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 5.167 -15.971 22.751 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 4.168 -15.759 21.184 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 4.237 -15.211 20.372 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 3.292 -15.521 21.556 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -1.101 -15.752 21.805 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -0.908 -16.446 22.481 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -1.815 -16.128 21.278 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 0.515 -11.770 17.102 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 0.578 -12.118 16.185 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 0.320 -12.565 17.647 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -3.747 -12.197 23.345 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -3.736 -11.334 22.875 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -4.673 -12.282 23.661 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 1.035 -8.063 16.174 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 0.625 -8.648 15.502 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 1.617 -8.659 16.682 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 0.307 -11.042 26.015 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -0.038 -10.623 26.832 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -0.397 -10.874 25.348 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -6.785 -9.422 17.430 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -7.077 -10.335 17.635 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -5.852 -9.530 17.171 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 7.482 -10.759 22.305 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 7.387 -9.875 22.746 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 8.406 -10.780 22.025 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -7.662 -7.445 15.731 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -8.002 -6.891 16.446 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -7.375 -8.265 16.182 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 5.848 -3.061 8.267 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 6.583 -2.477 7.957 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 5.553 -3.512 7.470 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -3.542 -9.591 22.433 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -4.293 -9.192 22.908 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -3.595 -9.196 21.542 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -0.178 -17.632 23.539 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -0.080 -18.549 23.183 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 0.707 -17.429 23.914 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 1.700 -15.357 22.338 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 1.985 -16.055 22.973 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 0.780 -15.597 22.117 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -3.659 -12.356 28.026 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -3.066 -12.689 27.320 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -4.203 -11.682 27.582 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 6.602 -13.398 22.257 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 6.933 -12.481 22.350 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 6.312 -13.452 21.341 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -1.668 -10.222 16.356 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -0.969 -10.727 16.815 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -1.241 -9.930 15.527 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 7.649 -11.174 25.218 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 8.011 -12.077 25.336 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 7.564 -11.076 24.260 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 7.740 -4.773 9.398 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 6.997 -4.174 9.175 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 8.463 -4.178 9.621 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 5.191 -14.028 16.577 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 5.941 -14.629 16.547 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 4.872 -14.085 17.500 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 1.288 -8.917 11.796 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 1.372 -8.101 11.242 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 1.182 -9.626 11.152 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 0.145 -9.792 14.227 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 0.386 -10.742 14.210 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 0.522 -9.434 13.394 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -3.838 -1.734 17.370 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -4.597 -2.205 17.756 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -4.221 -1.238 16.630 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 8.065 0.653 9.090 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 8.235 1.620 9.155 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 8.213 0.322 10.002 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -6.407 -12.154 17.451 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -6.286 -13.100 17.352 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -5.582 -11.766 17.099 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 4.905 -6.330 12.955 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 5.176 -5.446 13.289 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 5.746 -6.848 12.939 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 0.348 -20.174 22.788 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 1.328 -20.122 22.840 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 0.174 -21.062 22.458 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 3.294 -8.444 13.611 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 3.769 -7.647 13.292 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 2.613 -8.608 12.927 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 6.206 -5.495 16.156 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 6.877 -5.351 16.829 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 5.682 -6.251 16.498 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -5.175 -6.709 26.034 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -4.872 -5.793 25.831 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -5.024 -6.800 26.997 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 6.934 -7.317 9.749 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 7.310 -7.833 9.027 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 7.273 -6.401 9.595 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -4.381 -7.626 20.646 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -4.537 -7.328 21.570 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -4.917 -7.011 20.101 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -5.690 -10.819 26.678 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -6.300 -11.351 27.245 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -5.794 -11.214 25.784 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -1.401 -13.561 23.436 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -2.283 -13.155 23.269 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -1.365 -14.322 22.820 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -6.312 -11.908 24.206 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -6.447 -11.111 23.636 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -7.132 -12.406 24.115 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 1.050 -12.685 22.414 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 1.444 -13.579 22.349 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 0.205 -12.831 22.888 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 2.484 -17.318 24.094 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 2.946 -17.165 24.955 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 2.789 -18.207 23.815 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 4.343 -18.481 20.917 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 4.761 -18.638 20.065 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 4.307 -17.502 20.992 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -2.230 -15.103 28.620 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -2.118 -14.617 27.777 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -2.493 -16.012 28.340 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -2.794 -17.616 27.865 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -2.419 -17.909 26.999 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -3.338 -18.356 28.147 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 3.087 -19.813 22.897 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 3.487 -19.351 22.120 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 3.754 -20.459 23.155 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 1.741 -6.876 10.066 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 1.331 -6.261 9.451 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 2.693 -6.628 10.056 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -7.812 -7.195 18.716 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -7.556 -8.051 18.304 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -7.865 -7.400 19.679 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 5.206 -2.134 16.456 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 5.883 -1.499 16.156 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 5.327 -2.167 17.430 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 7.675 -8.390 23.567 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 7.201 -8.241 24.415 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 8.506 -7.917 23.680 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 4.881 -10.099 21.362 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 5.836 -10.296 21.403 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 4.593 -10.128 22.306 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 7.130 -17.622 24.796 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 7.662 -18.019 24.100 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 6.595 -16.940 24.331 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -6.557 -9.588 22.850 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -6.879 -9.031 22.113 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -6.831 -9.104 23.651 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -7.690 -7.394 21.463 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -8.275 -7.502 22.249 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -7.289 -6.510 21.586 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -6.146 -3.124 18.265 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -6.356 -2.638 17.428 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -7.015 -3.478 18.559 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -2.548 -7.934 18.646 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -3.316 -7.877 19.255 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -2.921 -8.270 17.821 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 4.372 -6.199 10.312 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 4.534 -6.290 11.276 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 5.155 -6.613 9.902 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 3.748 -3.531 11.571 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 4.349 -3.628 12.332 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 3.798 -4.388 11.117 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 5.192 -10.919 30.469 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 5.259 -9.987 30.188 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 4.281 -10.993 30.831 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 4.985 -8.134 36.592 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 5.295 -8.576 35.773 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 5.032 -8.822 37.262 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 2.789 -11.140 31.729 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 1.827 -11.259 31.712 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 2.925 -10.366 32.319 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 5.861 -9.628 34.432 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 6.780 -9.361 34.263 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 5.805 -10.531 34.048 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 3.477 -8.824 33.204 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 4.252 -9.137 33.715 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 3.784 -7.978 32.803 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 8.759 -9.535 27.166 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 8.339 -10.175 26.555 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 8.964 -8.767 26.601 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 0.146 -12.632 30.536 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -0.743 -13.030 30.584 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -0.027 -11.675 30.459 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 0.018 -16.567 29.269 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -0.709 -15.935 29.113 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -0.420 -17.421 29.327 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 2.697 -13.520 30.239 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 2.985 -12.905 30.934 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 1.719 -13.400 30.212 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 3.782 -16.659 26.414 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 4.622 -16.982 26.800 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 3.263 -16.348 27.199 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 1.559 -7.288 34.548 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 2.214 -7.808 34.034 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 1.382 -7.833 35.322 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -5.307 -14.513 28.585 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -4.640 -13.807 28.472 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -4.806 -15.257 28.935 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 3.007 -6.342 29.656 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 3.635 -6.913 30.140 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 3.386 -5.441 29.745 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 6.260 -17.386 27.334 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 6.519 -18.182 27.808 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 6.648 -17.504 26.433 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -1.846 -18.579 25.512 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -1.273 -18.091 24.885 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -1.865 -19.476 25.162 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -2.615 -13.122 30.445 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -2.436 -14.010 30.064 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -3.077 -12.647 29.721 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -0.857 -9.650 28.022 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -1.834 -9.662 27.902 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -0.734 -9.827 28.979 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -2.004 -7.929 32.019 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -2.464 -8.761 32.219 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -2.723 -7.319 31.742 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -7.218 -12.684 27.928 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -6.595 -13.412 28.158 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -8.057 -12.964 28.305 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -0.646 -10.010 30.728 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -0.650 -9.091 31.046 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -1.365 -10.441 31.243 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -4.053 -6.208 31.427 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -4.375 -6.458 32.329 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -4.169 -5.252 31.394 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 5.323 -13.414 29.165 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 4.441 -13.670 29.493 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 5.472 -12.528 29.549 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -2.705 -10.990 32.207 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -3.254 -11.186 32.975 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -2.732 -11.819 31.676 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -4.391 -6.895 28.726 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -3.554 -6.415 28.539 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -4.505 -6.800 29.693 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -3.578 -9.241 27.540 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -3.957 -8.507 28.068 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -4.362 -9.723 27.203 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 5.906 -11.961 32.951 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 5.751 -11.662 32.029 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 5.645 -12.891 32.945 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -2.351 -13.872 26.108 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -3.059 -14.409 25.732 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -1.776 -13.670 25.345 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 2.486 -15.663 28.548 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 2.610 -14.917 29.169 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 1.651 -16.088 28.850 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 8.498 -13.763 25.481 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 8.094 -14.079 26.327 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 8.318 -14.473 24.856 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -1.991 -5.715 28.217 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -1.181 -5.791 28.770 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -1.802 -6.281 27.438 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -7.003 -8.642 25.492 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -6.671 -9.363 26.060 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -6.401 -7.888 25.686 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 11.498 -5.947 38.776 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 11.438 -6.864 39.104 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 12.290 -5.587 39.216 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 8.316 -10.580 32.961 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 9.136 -11.114 32.852 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 7.607 -11.245 33.034 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 7.103 -14.755 27.566 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 6.550 -14.260 28.210 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 6.801 -15.680 27.654 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -1.686 -7.626 26.226 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -0.977 -8.194 26.572 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -2.502 -8.144 26.388 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -1.033 3.662 1.901 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -1.096 2.918 1.261 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -1.745 4.276 1.623 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -3.124 5.370 1.299 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -3.326 5.839 0.484 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -3.745 5.732 1.942 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 8.757 5.714 0.264 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 9.634 5.344 0.098 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 8.548 6.202 -0.543 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 6.908 5.553 5.218 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 7.733 5.192 4.821 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 6.869 6.478 4.892 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 5.978 10.577 3.320 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 6.550 11.229 2.898 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 5.539 11.075 4.047 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -6.426 12.544 2.488 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -6.878 13.416 2.550 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -6.357 12.383 1.524 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -9.841 8.517 -5.555 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -10.771 8.390 -5.290 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -9.705 7.878 -6.259 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 9.094 4.444 3.993 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 9.749 3.786 4.252 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 8.603 4.017 3.248 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -5.169 7.583 4.809 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -5.118 7.100 5.660 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -5.987 8.078 4.868 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 4.999 3.027 7.192 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 4.874 3.168 6.228 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 5.679 3.692 7.445 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -1.354 1.649 0.086 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -1.682 0.788 0.428 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -1.289 1.514 -0.862 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 5.253 12.774 7.721 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 6.166 13.137 7.788 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 5.183 12.469 6.790 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -5.520 6.359 7.319 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -5.591 5.521 7.781 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -6.074 6.976 7.849 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 2.879 5.683 5.788 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 3.450 4.992 5.392 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 3.117 6.500 5.291 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 3.996 7.741 4.478 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 3.632 8.292 3.747 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 4.964 7.791 4.351 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 0.591 9.988 0.114 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 0.961 10.606 0.777 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 0.893 9.124 0.405 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 4.779 3.850 1.881 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 4.286 3.109 1.504 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 4.328 4.635 1.541 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 3.620 9.437 2.394 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 4.463 9.907 2.546 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 2.989 10.146 2.152 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -8.326 11.612 -1.647 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -8.393 11.076 -2.468 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -9.197 11.494 -1.216 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 1.133 2.326 5.724 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 0.381 2.842 5.355 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 1.904 2.677 5.270 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -8.009 11.340 8.422 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -7.683 10.585 8.936 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -8.152 12.030 9.085 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 0.342 5.300 6.660 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -0.124 4.993 5.857 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 1.247 5.501 6.348 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 7.580 3.743 1.890 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 7.829 4.394 1.207 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 6.603 3.723 1.859 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -7.190 8.055 8.648 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -7.185 8.550 9.495 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -7.995 8.345 8.209 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -2.281 -0.805 0.865 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -1.805 -1.541 1.259 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -3.209 -1.021 1.001 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 0.473 0.828 7.873 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 0.857 -0.074 7.829 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 0.753 1.248 7.025 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -0.804 3.918 4.575 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -1.750 3.967 4.758 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -0.756 3.821 3.590 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 4.735 4.023 4.660 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 5.531 4.577 4.836 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 4.775 3.851 3.698 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -2.412 2.757 10.266 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -2.672 3.576 10.722 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -1.813 3.063 9.544 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 5.394 1.342 9.305 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 6.283 0.976 9.128 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 5.195 1.883 8.508 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -0.509 -3.061 12.628 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -0.236 -3.095 11.684 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -0.532 -2.106 12.828 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -6.387 -1.663 16.004 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -6.827 -0.798 15.869 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -6.433 -2.094 15.126 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 1.691 -1.612 7.927 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 1.941 -2.292 7.295 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 2.475 -1.534 8.521 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 0.018 -2.275 10.053 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 0.563 -2.194 9.248 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -0.566 -1.494 10.023 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -10.275 13.908 -4.162 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -10.153 14.327 -3.302 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -11.168 14.215 -4.458 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -8.583 10.550 -4.196 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -8.797 9.740 -4.714 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -8.232 11.176 -4.864 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 5.299 7.667 7.188 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 4.610 7.662 6.502 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 6.089 7.979 6.726 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 8.628 6.915 2.831 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 9.000 6.147 3.307 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 8.646 6.644 1.895 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -7.403 9.777 10.811 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -7.458 9.282 11.662 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -7.680 10.688 11.048 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -3.091 12.509 -0.375 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -3.908 12.300 -0.855 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -2.403 11.939 -0.809 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 0.264 11.955 7.175 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 0.363 12.887 7.464 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 0.855 11.460 7.760 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -6.087 16.631 1.002 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -6.717 16.044 1.471 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -5.424 16.026 0.643 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -4.274 14.331 1.274 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -5.152 13.948 1.107 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -3.673 13.793 0.717 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 1.841 11.520 2.082 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 1.910 12.452 1.807 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 1.709 11.571 3.053 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 4.548 12.034 5.138 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 4.540 12.850 4.582 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 3.610 11.769 5.177 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -6.219 12.889 -0.222 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -6.946 12.407 -0.671 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -6.049 13.658 -0.803 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -0.363 10.914 -4.203 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -0.563 10.478 -5.036 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 0.138 11.696 -4.456 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -1.320 10.928 -1.614 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -0.608 10.522 -1.068 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -0.991 10.848 -2.536 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -8.147 12.958 -5.568 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -8.094 13.473 -6.402 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -8.912 13.352 -5.094 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 3.839 -1.672 9.571 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 3.696 -2.231 10.369 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 4.653 -2.042 9.168 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 6.695 8.130 4.250 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 7.466 7.849 3.701 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 6.493 9.039 3.929 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -4.734 6.225 14.719 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -4.389 6.858 14.078 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -5.593 6.616 15.004 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -8.908 9.207 18.114 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -9.051 10.155 18.317 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -7.931 9.104 18.128 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -2.276 10.801 17.577 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -2.226 9.900 17.229 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -3.121 10.816 18.085 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -1.720 -3.211 16.603 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -2.047 -3.573 15.757 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -2.432 -2.591 16.888 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -4.014 2.762 17.193 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -4.505 2.254 17.852 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -4.291 2.370 16.333 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 6.599 0.337 20.222 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 6.459 1.146 19.692 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 7.285 0.590 20.874 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -2.637 4.188 19.931 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -2.286 3.771 19.118 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -2.427 5.131 19.822 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -1.627 7.013 21.319 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -1.545 7.058 20.337 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -2.411 7.538 21.514 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -11.305 11.585 10.632 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -11.692 10.891 11.214 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -10.353 11.502 10.771 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 4.157 7.978 19.277 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 3.881 8.790 18.810 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 3.496 7.310 19.000 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 0.312 8.263 17.086 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 0.742 8.189 16.213 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 0.358 9.220 17.290 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 5.571 5.557 22.785 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 5.590 6.347 22.214 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 5.694 4.811 22.159 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 6.029 2.570 18.491 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 6.708 2.845 17.834 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 5.189 2.605 17.988 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -3.590 5.526 17.128 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -3.672 4.549 17.146 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -3.918 5.776 16.237 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -1.626 6.817 18.613 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -0.926 7.232 18.066 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -2.250 6.442 17.957 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -1.307 2.939 17.775 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -2.185 2.780 17.369 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -0.836 2.085 17.668 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 2.143 6.473 18.153 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 1.480 7.116 17.821 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 1.602 5.770 18.581 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -6.902 -0.848 19.772 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -6.884 -0.846 20.748 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -6.442 -1.666 19.525 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 7.905 -1.542 7.462 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 8.495 -1.357 6.724 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 7.968 -0.739 8.028 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -0.790 -0.323 12.776 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -1.134 -0.185 11.865 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -1.597 -0.507 13.314 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 7.734 13.919 7.983 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 7.816 14.876 8.055 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 8.507 13.579 8.446 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -8.767 6.560 17.386 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -8.990 6.014 18.145 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -8.927 7.477 17.695 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 3.306 4.853 8.398 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 3.790 4.077 8.056 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 3.032 5.337 7.591 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 1.266 -3.667 28.216 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 1.016 -3.014 28.903 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 0.935 -4.514 28.568 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -3.208 1.689 21.122 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -2.368 1.348 20.741 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -3.272 2.598 20.773 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -1.204 0.310 10.078 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -1.798 1.090 10.184 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -0.704 0.505 9.256 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -0.613 -2.615 23.702 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -0.606 -1.672 23.990 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -0.093 -3.079 24.396 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -5.290 -0.396 13.006 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -5.705 -1.272 13.183 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -5.361 -0.290 12.051 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -6.054 -2.944 13.599 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -6.692 -3.377 12.980 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -5.447 -3.654 13.844 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 4.709 2.084 22.753 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 5.247 2.536 22.063 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 4.757 2.689 23.526 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -0.542 3.471 21.559 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -1.433 3.732 21.245 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -0.564 3.657 22.517 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -5.147 6.442 19.205 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -4.563 6.158 18.470 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -5.237 5.655 19.752 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -6.907 7.539 15.623 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -7.602 7.004 16.069 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -6.531 8.086 16.349 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -0.616 -0.026 24.285 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -1.492 0.165 23.879 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -0.310 0.847 24.624 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 0.579 6.189 22.664 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -0.229 6.580 22.251 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 1.107 5.893 21.910 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 8.173 3.405 9.543 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 8.733 4.112 9.940 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 7.568 3.893 8.945 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 3.796 5.814 10.884 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 3.656 5.466 9.973 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 4.259 6.675 10.742 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -3.711 3.870 13.767 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -3.326 4.244 12.953 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -4.159 4.633 14.190 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 3.176 10.184 17.810 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 2.229 10.449 17.828 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 3.651 10.992 18.031 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 0.546 4.479 19.217 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -0.062 4.037 18.593 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 0.269 4.148 20.093 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -11.443 10.019 17.146 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -11.851 9.576 16.388 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -10.695 9.442 17.390 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -2.868 5.329 11.342 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -2.193 6.039 11.274 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -3.524 5.568 10.678 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -2.589 -4.049 14.033 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -1.837 -3.767 13.452 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -2.798 -4.941 13.732 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -3.475 11.361 2.151 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -3.234 11.730 1.278 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -3.521 10.411 2.003 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -4.874 1.622 14.844 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -4.419 2.357 14.369 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -4.928 0.905 14.176 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -5.480 -5.750 18.978 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -6.321 -6.213 18.776 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -5.589 -4.871 18.565 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -12.207 9.741 12.470 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -12.495 10.015 13.369 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -12.447 8.812 12.421 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 4.236 10.762 9.286 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 3.544 10.404 8.699 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 4.667 11.463 8.749 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -0.546 3.411 8.417 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -0.155 2.618 8.009 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -0.259 4.150 7.831 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 2.196 6.078 24.899 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 1.586 6.259 24.154 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 2.972 6.613 24.704 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -6.554 -0.519 22.520 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -5.913 0.186 22.359 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -7.147 -0.151 23.212 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 0.295 2.190 25.537 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 1.170 2.538 25.809 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -0.141 2.958 25.106 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 4.891 8.084 9.921 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 5.024 7.939 8.964 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 4.799 9.052 10.003 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -0.704 1.084 20.228 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -0.048 0.927 19.531 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -0.370 1.874 20.701 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 6.296 0.093 23.786 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 5.664 0.723 23.389 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 7.106 0.196 23.241 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 2.623 3.630 26.047 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 2.311 4.533 25.805 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 3.471 3.537 25.557 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -3.133 0.023 23.257 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -3.822 0.291 23.907 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -3.253 0.652 22.504 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -1.064 0.207 27.094 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -1.029 -0.261 26.246 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -0.608 1.049 26.915 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -5.514 -2.131 24.536 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -6.031 -1.837 23.765 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -5.224 -1.301 24.954 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -7.755 8.809 13.339 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -7.338 8.316 14.078 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -8.590 9.118 13.705 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 3.911 6.162 15.938 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 3.584 7.001 15.544 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 3.475 6.132 16.812 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 6.356 5.402 14.905 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 5.944 5.036 14.089 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 5.622 5.885 15.344 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 8.324 6.043 22.340 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 7.879 6.656 21.725 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 7.648 5.847 23.004 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 9.492 5.312 11.007 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 9.249 5.370 11.955 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 10.049 6.081 10.859 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 6.622 5.080 7.900 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 6.844 5.296 6.967 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 6.146 5.867 8.215 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 5.069 3.712 24.884 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 5.701 3.578 25.616 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 5.395 4.514 24.423 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 9.026 3.544 21.524 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 8.878 4.449 21.888 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 9.816 3.635 20.982 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 4.063 -0.044 13.836 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 4.767 -0.703 13.695 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 4.348 0.721 13.301 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -7.854 0.482 24.748 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -7.766 0.353 25.724 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -8.802 0.601 24.613 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -8.736 -0.306 17.811 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -8.092 -0.342 18.551 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -8.273 0.196 17.115 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -7.390 0.914 15.683 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -6.491 1.239 15.452 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -7.984 1.536 15.248 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 5.359 1.703 12.091 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 5.447 1.540 11.127 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 5.395 2.680 12.173 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 0.299 10.626 14.029 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 1.265 10.754 14.123 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -0.084 11.472 14.326 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -8.942 -7.661 23.888 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -8.284 -7.964 24.554 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -9.781 -7.687 24.357 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -6.201 8.704 18.019 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -5.853 7.962 18.566 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -5.621 9.461 18.245 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 10.034 -7.333 26.156 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 10.998 -7.296 25.982 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 9.806 -6.415 26.422 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -4.729 14.805 18.053 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -5.614 15.222 18.017 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -4.247 15.332 18.697 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -4.776 10.961 18.699 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -5.029 10.767 19.633 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -5.318 11.729 18.465 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -1.203 12.899 14.482 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -1.866 12.569 13.836 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -1.722 13.047 15.303 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -7.803 -6.866 13.078 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -8.207 -7.675 12.753 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -7.705 -7.019 14.048 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -2.912 -1.272 14.094 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -3.778 -0.954 13.772 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -3.012 -2.242 14.136 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -13.274 10.218 14.951 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -14.181 10.378 14.605 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -13.199 10.817 15.707 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -7.640 -4.387 11.949 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -8.256 -4.450 11.214 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -7.676 -5.278 12.370 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 2.767 8.613 15.537 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 3.001 9.083 16.362 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 2.794 9.310 14.851 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -1.809 -6.110 23.905 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -1.714 -6.686 24.697 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -1.683 -5.218 24.247 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 1.049 -3.724 25.509 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 1.012 -3.706 26.492 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 1.261 -4.661 25.296 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 8.156 -3.240 36.976 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 7.567 -3.731 37.586 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 7.742 -2.373 36.895 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 2.256 -4.547 32.119 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 2.228 -3.765 32.710 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 1.426 -5.029 32.319 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 2.669 -2.268 33.646 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 2.912 -3.033 34.224 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 2.606 -1.526 34.256 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -0.732 4.407 24.282 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -1.357 4.933 24.797 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -0.185 5.076 23.813 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 2.729 -1.297 30.852 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 1.790 -1.536 30.683 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 2.847 -1.460 31.806 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 3.637 -0.198 28.461 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 3.636 0.781 28.434 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 3.286 -0.414 29.351 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 3.582 2.576 28.386 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 3.121 2.947 27.597 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 3.121 2.972 29.136 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 2.134 -7.950 27.638 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 1.255 -8.292 27.851 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 2.336 -7.328 28.371 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 3.374 -2.313 26.824 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 3.432 -1.481 27.355 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 2.688 -2.838 27.283 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -4.159 -4.250 25.636 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -3.919 -3.873 26.506 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -4.671 -3.535 25.199 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -2.058 -1.258 29.121 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -2.673 -0.653 29.551 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -1.679 -0.726 28.375 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 9.565 0.302 26.745 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 8.585 0.177 26.699 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 9.680 1.258 26.752 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 0.199 -2.228 30.311 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -0.601 -1.852 29.875 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -0.155 -2.873 30.935 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 0.006 -6.151 32.550 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -0.760 -6.758 32.445 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 0.500 -6.524 33.314 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -3.474 -3.402 28.156 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -2.870 -2.703 28.483 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -2.932 -4.223 28.190 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -7.267 0.246 27.423 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -6.747 -0.543 27.705 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -7.575 0.633 28.250 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -5.126 0.606 25.070 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -6.084 0.740 24.912 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -4.999 0.875 25.989 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 6.112 2.713 27.360 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 6.600 3.125 28.080 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 5.202 2.600 27.720 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 6.894 0.184 26.453 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 6.506 1.046 26.704 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 6.648 0.075 25.504 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 3.914 -3.748 30.161 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 3.703 -2.799 30.107 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 3.373 -4.066 30.917 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 7.574 -3.032 32.300 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 8.223 -3.253 32.999 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 6.765 -3.490 32.580 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -2.912 -6.913 36.111 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -2.180 -6.288 36.165 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -2.972 -7.288 36.995 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 3.134 -4.555 35.063 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 3.929 -4.797 35.585 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 2.648 -5.390 34.972 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 5.317 -5.441 36.476 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 5.178 -6.416 36.551 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 5.753 -5.198 37.314 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -4.669 -6.760 34.004 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -3.986 -6.837 34.709 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -5.504 -6.816 34.479 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 4.399 -6.356 32.475 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 3.722 -5.653 32.430 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 5.139 -5.944 32.978 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -5.878 -1.953 28.281 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -4.986 -2.352 28.226 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -6.464 -2.708 28.394 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 0.315 -5.843 29.797 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 0.052 -5.940 30.736 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 1.273 -6.060 29.797 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -6.414 22.121 -16.975 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -6.229 21.797 -16.074 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -7.385 22.035 -17.065 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -5.439 25.923 -19.438 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -5.388 26.001 -20.396 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -5.420 24.952 -19.275 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -5.176 24.098 -14.510 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -5.437 23.167 -14.374 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -5.568 24.330 -15.360 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -4.663 26.431 -13.056 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -4.791 25.566 -13.502 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -5.497 26.925 -13.246 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -4.153 28.718 -16.008 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -5.025 28.335 -16.261 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -3.780 28.070 -15.396 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -4.415 23.083 -11.188 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -4.815 22.944 -12.057 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -4.717 22.315 -10.656 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -7.985 27.101 -19.380 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -7.166 26.617 -19.161 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -7.731 27.666 -20.138 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -0.800 27.754 -12.119 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -0.138 27.308 -11.549 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -0.279 28.348 -12.668 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -6.331 21.609 -14.202 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -7.170 22.135 -14.242 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -6.569 20.829 -13.673 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -0.531 23.976 -10.829 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -0.689 23.620 -11.711 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -1.397 24.360 -10.566 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -8.294 25.576 -15.440 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -8.461 26.182 -14.680 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -7.677 26.076 -16.006 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -2.957 25.057 -10.069 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -3.192 25.937 -10.444 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -3.552 24.425 -10.549 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -4.928 28.768 -19.187 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -4.867 27.828 -18.927 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -4.121 29.179 -18.805 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -8.001 19.696 -12.808 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -8.763 19.813 -12.221 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -8.389 19.741 -13.709 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -6.717 27.801 -16.281 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -7.377 28.446 -16.607 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -6.823 27.823 -15.297 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 1.606 29.032 -7.879 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 2.461 29.383 -8.155 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 1.724 28.057 -7.916 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -3.285 27.591 -11.056 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -2.396 27.779 -11.438 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -3.810 27.263 -11.826 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -5.197 20.955 -9.575 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -4.565 20.788 -8.854 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -6.059 21.078 -9.112 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -4.549 29.240 -9.250 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -4.305 30.123 -9.570 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -4.104 28.625 -9.876 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -6.131 18.747 -10.942 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -6.736 18.972 -11.678 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -5.877 19.617 -10.566 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -10.997 20.085 -12.730 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -11.111 21.057 -12.779 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -10.628 19.849 -13.600 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -5.474 23.176 -19.318 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -5.780 22.842 -18.443 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -5.170 22.389 -19.776 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -8.615 22.940 -14.436 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -9.546 22.886 -14.141 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -8.517 23.860 -14.755 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -5.470 30.233 -14.041 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -5.965 29.400 -13.873 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -4.937 30.037 -14.830 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -4.442 36.277 -12.241 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -4.845 35.390 -12.157 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -4.512 36.651 -11.348 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -9.496 33.787 -16.752 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -8.798 33.647 -16.066 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -10.163 34.355 -16.297 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -7.572 34.152 -14.885 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -7.668 34.806 -14.176 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -6.613 33.959 -14.904 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -3.056 30.356 -17.888 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -3.344 31.267 -17.684 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -3.309 29.842 -17.095 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -6.655 28.601 -21.278 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -6.624 29.405 -21.802 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -5.978 28.741 -20.578 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -0.400 24.646 -0.983 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -0.368 24.684 -1.960 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -1.252 24.206 -0.792 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 0.420 28.347 -2.691 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 0.882 29.012 -2.133 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 0.539 28.677 -3.605 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -3.736 26.309 -0.975 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -3.212 27.112 -1.214 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -4.049 26.488 -0.069 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -5.294 17.208 -3.678 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -5.945 17.108 -4.407 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -4.949 18.122 -3.793 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -2.093 17.682 0.283 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -2.191 17.037 -0.444 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -2.072 17.129 1.089 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -2.621 16.126 2.457 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -3.275 15.532 2.017 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -3.174 16.747 2.972 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -0.722 24.718 -3.800 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -0.885 25.488 -4.394 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -1.097 23.956 -4.294 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -3.613 23.186 1.842 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -3.295 23.290 0.920 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -4.125 23.991 2.005 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 1.689 14.356 2.248 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 1.248 14.562 3.095 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 1.176 14.840 1.589 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 1.761 30.103 -1.078 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 2.223 30.943 -0.993 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 2.002 29.616 -0.281 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 1.692 25.954 -3.365 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 1.356 26.738 -2.883 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 0.896 25.396 -3.492 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -3.925 22.713 -3.196 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -4.777 22.511 -3.639 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -3.344 21.984 -3.464 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -0.408 22.389 -8.563 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 0.231 22.835 -7.971 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -0.301 22.850 -9.418 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 1.103 24.908 1.332 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 0.718 24.727 0.446 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 1.647 24.140 1.514 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -3.579 19.691 1.453 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -3.064 19.045 0.910 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -3.528 20.517 0.949 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -6.992 26.244 3.505 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -6.797 25.931 4.409 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -7.924 25.975 3.357 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 0.938 24.063 -6.806 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 0.134 24.101 -6.262 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 1.663 23.925 -6.152 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -6.717 18.848 4.316 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -7.048 19.118 3.440 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -5.774 18.661 4.160 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -0.845 26.667 -5.729 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -0.357 27.492 -5.562 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -1.046 26.699 -6.688 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -8.114 27.816 6.338 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -8.472 27.726 7.250 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -7.709 26.948 6.160 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -4.882 26.054 1.658 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -4.233 26.734 1.934 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -5.607 26.132 2.317 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -1.710 30.600 -4.831 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -1.880 31.112 -5.653 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -2.331 30.992 -4.170 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -3.951 32.032 -9.612 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -4.489 31.953 -10.435 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -3.991 32.997 -9.389 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 2.748 27.314 -5.499 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 2.540 26.730 -4.742 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 2.141 28.062 -5.392 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 0.531 29.116 -5.326 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -0.227 29.730 -5.174 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 0.834 29.330 -6.234 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -2.608 15.336 -1.291 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -3.582 15.238 -1.380 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -2.294 14.434 -1.134 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 1.634 12.129 4.774 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 1.063 11.803 5.500 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 1.442 13.087 4.737 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -4.084 18.163 3.722 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -3.918 18.758 2.957 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -3.382 18.403 4.372 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -3.021 23.717 -0.764 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -3.352 23.308 -1.591 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -3.288 24.662 -0.839 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -6.465 19.249 1.497 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -5.537 19.525 1.440 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -6.445 18.294 1.253 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -4.131 17.702 -9.413 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -3.289 17.634 -9.875 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -4.753 18.051 -10.092 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -2.680 16.264 -3.911 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -3.627 16.504 -3.867 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -2.479 15.924 -3.018 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -4.627 19.760 -4.479 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -4.357 19.558 -5.401 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -5.233 20.515 -4.570 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -1.607 22.922 -5.669 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -1.331 22.017 -5.860 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -2.210 23.149 -6.414 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -2.981 28.044 1.840 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -2.179 27.591 1.470 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -2.633 28.591 2.553 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -7.046 17.359 -5.831 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -6.774 17.091 -6.732 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -7.755 17.995 -5.979 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 0.982 14.790 4.920 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 1.784 15.357 4.968 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 0.699 14.705 5.861 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -4.727 29.644 0.392 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -4.856 30.310 1.107 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -4.085 29.010 0.771 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 2.104 26.294 -7.943 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 1.662 25.457 -7.677 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 2.602 26.562 -7.140 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -5.263 15.685 4.204 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -6.183 15.685 4.546 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -5.069 16.627 4.038 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 2.920 24.003 -4.936 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 2.634 24.642 -4.253 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 3.876 23.965 -4.839 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 4.124 14.193 3.614 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 3.385 14.216 2.976 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 3.969 14.969 4.188 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -1.851 17.712 -6.047 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -0.897 17.657 -5.963 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -2.190 17.147 -5.312 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -2.436 21.341 3.527 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -2.712 20.608 2.956 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -2.794 22.137 3.077 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -3.872 19.206 -7.105 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -3.083 18.758 -6.721 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -4.081 18.675 -7.897 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -6.678 13.221 -3.245 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -7.269 12.629 -2.744 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -6.981 13.131 -4.172 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -8.950 27.589 8.986 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -8.222 27.584 9.648 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -9.747 27.729 9.512 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 0.786 26.355 -10.352 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 0.557 25.417 -10.521 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 1.459 26.314 -9.638 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -1.195 26.908 -8.494 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -1.923 26.370 -8.848 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -0.467 26.773 -9.135 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -11.455 18.402 6.004 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -11.250 19.333 6.153 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -12.025 18.408 5.219 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -4.089 25.456 -3.561 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -3.942 24.490 -3.496 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -4.064 25.765 -2.631 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -6.521 18.410 6.998 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -6.728 18.582 6.046 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -7.370 18.145 7.382 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -2.993 23.120 -8.024 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -3.110 23.811 -8.700 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -2.183 22.644 -8.307 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -2.209 18.521 5.697 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -1.828 18.096 6.489 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -1.903 19.448 5.756 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -1.538 14.071 3.842 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -1.776 14.878 3.335 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -0.695 14.300 4.270 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -0.792 26.830 0.880 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -0.796 26.442 -0.009 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -0.103 26.319 1.355 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -4.123 17.114 7.386 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -5.021 17.500 7.397 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -3.774 17.351 6.514 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -2.333 20.461 8.548 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -1.816 20.781 7.780 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -3.261 20.460 8.222 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 3.339 16.085 5.501 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 3.568 17.012 5.630 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 3.472 15.679 6.392 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 0.811 14.617 7.625 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 1.782 14.705 7.729 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 0.444 15.177 8.348 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -2.455 31.302 -7.363 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -1.811 30.809 -7.918 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -3.002 31.787 -8.010 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -9.631 16.501 6.806 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -10.254 17.186 6.473 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -9.334 16.849 7.677 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -7.816 14.883 2.299 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -7.975 15.171 3.222 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -8.703 14.588 1.980 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -7.101 25.056 6.147 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -6.593 24.659 6.885 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -7.698 24.353 5.870 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -8.529 29.944 0.230 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -8.543 29.228 0.873 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -7.928 29.623 -0.473 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -2.285 28.398 -1.953 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -1.326 28.345 -2.155 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -2.477 29.348 -1.951 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -6.627 28.687 -1.374 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -6.823 27.763 -1.084 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -5.857 28.950 -0.827 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -8.128 14.478 -7.903 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -7.886 14.015 -8.711 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -7.561 15.278 -7.907 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -5.290 15.067 -1.863 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -5.696 14.411 -2.479 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -5.367 15.920 -2.343 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -6.503 16.688 -8.457 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -6.864 17.244 -9.165 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -5.532 16.789 -8.552 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -0.844 29.697 -8.862 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 0.085 29.571 -8.573 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -1.220 28.794 -8.849 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 3.539 14.886 7.962 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 3.296 14.959 8.915 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 4.154 14.117 7.932 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -9.234 19.778 19.822 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -9.577 19.624 20.722 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -10.039 19.879 19.274 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -6.346 24.724 17.921 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -5.708 24.563 17.200 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -7.022 24.025 17.807 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 2.618 15.331 13.092 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 3.158 15.921 13.622 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 1.804 15.207 13.625 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -3.940 20.126 14.713 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -3.851 21.056 14.951 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -4.113 19.673 15.575 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -4.240 19.038 17.143 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -4.053 18.186 17.556 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -4.363 19.647 17.898 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -7.073 21.165 18.974 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -7.786 20.581 19.328 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -7.557 21.889 18.539 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 0.322 15.092 14.560 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -0.278 15.607 15.148 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -0.179 14.261 14.376 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -4.168 23.180 12.692 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -4.639 23.581 11.923 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -3.745 22.383 12.316 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -4.152 26.338 18.643 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -4.426 27.181 19.051 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -4.893 25.735 18.823 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -4.537 20.467 19.506 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -5.487 20.703 19.343 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -4.143 21.288 19.824 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -10.366 19.338 22.343 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -9.908 19.661 23.154 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -11.141 19.943 22.254 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 2.997 10.987 14.074 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 3.645 11.560 14.492 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 3.036 11.241 13.118 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -5.224 24.445 10.550 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -4.941 25.365 10.743 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -5.305 24.419 9.582 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -11.036 24.263 20.627 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -11.250 25.122 20.188 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -10.285 24.474 21.211 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -7.675 27.091 18.196 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -8.549 26.799 17.839 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -7.101 26.299 18.085 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -1.658 17.765 8.356 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -1.826 18.691 8.624 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -2.557 17.378 8.259 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -3.979 17.803 19.802 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -4.128 18.778 19.798 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -4.647 17.465 20.410 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -5.625 19.857 12.591 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -5.485 18.924 12.309 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -4.977 19.986 13.321 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -0.510 16.677 12.337 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -0.100 16.125 13.021 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -1.090 17.289 12.840 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -9.814 16.679 22.030 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -9.987 17.652 22.036 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -9.613 16.471 22.951 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -2.038 18.077 14.116 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -1.992 17.530 14.920 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -2.676 18.779 14.339 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -5.446 21.283 10.249 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -4.504 21.464 10.433 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -5.748 20.798 11.043 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -4.926 20.552 7.674 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -5.430 19.779 7.344 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -5.248 20.672 8.591 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -1.528 17.117 18.770 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -0.861 17.508 19.344 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -2.378 17.322 19.215 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -4.353 26.828 11.535 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -3.379 26.778 11.668 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -4.718 26.695 12.428 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 0.157 16.239 9.750 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -0.418 16.840 9.226 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -0.107 16.415 10.686 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -8.597 23.081 17.524 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -8.837 22.800 16.614 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -9.431 22.962 18.033 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -9.523 20.660 24.609 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -9.870 21.551 24.392 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -9.276 20.723 25.535 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -5.265 25.518 13.955 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -5.004 24.704 13.482 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -4.859 25.415 14.843 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -1.885 24.062 13.926 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -2.749 23.801 13.535 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -1.280 23.368 13.645 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -5.716 32.274 17.640 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -5.062 31.543 17.517 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -5.158 33.080 17.743 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -12.057 16.074 20.445 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -12.764 16.573 20.867 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -11.272 16.255 21.001 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -9.070 25.005 22.599 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -8.198 25.001 23.006 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -9.033 25.763 21.964 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -7.008 27.784 10.923 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -6.079 27.539 10.753 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -7.035 27.939 11.895 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 2.422 14.766 10.453 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 1.619 15.288 10.237 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 2.578 14.953 11.408 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -2.811 21.108 11.247 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -2.472 20.339 11.725 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -2.488 20.980 10.328 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -6.802 27.801 13.629 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -7.052 28.221 14.486 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -6.305 26.998 13.892 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -1.798 26.428 12.476 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -1.757 25.662 13.083 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -0.912 26.799 12.503 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -5.909 23.201 8.114 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -5.986 22.775 8.991 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -5.434 22.543 7.575 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -1.316 21.130 6.015 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -0.479 21.584 5.879 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -1.820 21.302 5.181 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -2.636 13.472 16.755 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -2.534 12.570 17.129 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -3.464 13.810 17.164 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 0.535 11.018 17.558 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 0.758 11.941 17.296 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -0.439 11.029 17.651 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -8.381 34.832 6.977 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -8.615 34.289 7.762 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -7.584 35.302 7.246 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -12.445 26.748 11.232 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -12.280 26.475 10.301 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -12.327 27.722 11.218 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -6.014 10.607 21.089 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -6.614 11.298 20.721 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -6.451 10.321 21.894 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -5.694 28.594 19.305 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -6.443 28.090 18.919 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -6.115 29.391 19.685 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -11.072 30.981 15.233 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -10.160 31.283 15.348 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -11.450 31.005 16.139 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -7.531 28.982 15.952 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -7.778 29.909 16.111 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -7.698 28.538 16.801 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -3.945 24.946 16.293 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -3.808 25.503 17.095 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -3.049 24.788 15.957 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -1.569 16.040 16.268 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -1.990 15.167 16.422 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -1.551 16.459 17.160 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 1.020 13.623 16.916 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 0.710 14.343 17.473 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 0.988 13.989 16.014 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 3.173 11.966 11.535 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 2.963 12.844 11.176 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 3.603 11.497 10.788 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -8.193 30.615 9.624 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -7.609 29.856 9.483 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -8.514 30.497 10.547 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -9.353 36.816 -36.423 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -9.310 37.484 -35.719 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -9.284 35.966 -35.945 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -10.980 42.360 -35.361 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -10.692 42.006 -36.229 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -11.211 41.566 -34.842 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -10.159 41.537 -37.948 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -9.781 42.289 -38.418 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -9.630 40.764 -38.264 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -8.528 41.223 -29.778 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -8.275 41.713 -28.972 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -8.601 41.914 -30.465 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -11.691 40.276 -33.543 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -10.747 40.404 -33.298 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -11.958 39.488 -33.033 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -12.385 43.898 -27.472 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -12.246 44.126 -28.410 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -11.755 43.158 -27.308 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -9.101 40.152 -32.742 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -8.932 39.932 -31.811 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -8.937 39.312 -33.219 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -8.950 39.334 -39.003 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -8.178 38.795 -39.204 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -9.679 38.684 -38.909 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -11.771 37.924 -31.959 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -12.372 37.385 -31.395 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -11.223 38.429 -31.305 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -12.051 34.704 -36.022 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -12.513 35.075 -36.805 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -12.343 35.285 -35.279 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -8.787 45.975 -27.448 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -8.796 45.642 -28.364 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -9.724 46.158 -27.252 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -9.359 40.408 -16.296 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -8.609 40.478 -16.896 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -8.998 39.948 -15.516 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -8.986 38.602 -24.066 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -8.069 38.519 -24.338 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -9.164 37.771 -23.567 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -5.477 35.171 -17.775 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -5.115 35.946 -17.336 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -6.404 35.421 -17.973 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -8.800 34.941 -20.593 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -8.600 34.025 -20.309 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -8.538 35.485 -19.825 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -10.722 41.872 -26.838 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -10.677 41.501 -25.926 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -9.801 42.154 -27.030 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -7.938 38.380 -14.732 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -7.120 37.838 -14.655 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -8.453 37.934 -15.434 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -8.133 35.865 -18.075 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -8.616 36.619 -17.676 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -8.527 35.080 -17.648 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -11.639 36.972 -26.836 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -11.457 37.863 -27.196 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -11.426 36.363 -27.584 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -10.618 38.745 -13.601 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -9.657 38.605 -13.713 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -10.981 37.838 -13.484 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -10.464 39.343 -30.096 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -9.723 39.959 -29.904 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -10.980 39.324 -29.262 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -9.768 37.494 -16.622 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -10.340 36.777 -16.250 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -10.375 38.233 -16.763 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -11.360 35.584 -29.128 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -10.831 35.024 -29.705 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -12.139 35.821 -29.671 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -6.487 30.855 -18.214 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -7.218 30.396 -17.745 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -5.946 30.125 -18.586 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -6.975 38.413 -11.620 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -7.238 37.556 -12.031 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -7.001 39.042 -12.353 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -5.653 36.724 -14.657 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -5.453 35.815 -14.948 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -5.156 36.815 -13.814 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -4.823 33.970 -14.846 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -4.643 33.449 -15.661 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -4.195 33.623 -14.201 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -8.305 38.265 -9.219 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -8.535 37.305 -9.292 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -7.828 38.458 -10.055 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -4.566 32.628 -17.245 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -4.792 33.517 -17.605 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -5.285 32.047 -17.575 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -5.662 31.418 -11.642 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -5.490 31.086 -12.560 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -6.317 30.801 -11.290 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -1.346 31.688 -10.788 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -1.065 30.960 -10.208 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -2.210 31.948 -10.443 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -8.361 43.012 -27.619 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -7.917 43.636 -27.030 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -8.671 43.569 -28.369 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -12.583 42.057 -20.820 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -12.996 42.926 -20.911 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -11.841 42.077 -21.459 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -8.404 32.686 -19.073 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -7.665 32.059 -18.928 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -8.698 32.918 -18.173 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -9.522 36.257 -22.847 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -10.217 35.651 -23.144 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 -9.177 35.840 -22.023 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -7.831 35.937 -12.299 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -8.310 35.894 -11.437 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -7.098 35.293 -12.192 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 -6.007 34.121 -11.591 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 -5.947 33.158 -11.764 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 -6.348 34.178 -10.667 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -9.042 36.954 1.483 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 -8.105 37.108 1.233 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 -9.203 37.591 2.213 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 -10.024 41.047 -2.420 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 -9.940 40.591 -3.265 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 -10.800 40.631 -2.000 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -6.363 38.202 -2.143 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -6.789 39.028 -1.815 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -6.381 38.298 -3.126 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -9.973 38.049 -0.866 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -9.780 37.536 -0.055 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -9.118 38.436 -1.110 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -6.434 34.810 1.045 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -5.511 34.541 0.871 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -6.433 35.776 0.897 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -4.351 36.373 -2.488 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -3.730 37.018 -2.838 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -5.168 36.892 -2.325 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -6.289 30.407 -3.583 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -6.540 29.622 -3.053 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -6.823 30.324 -4.407 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -11.831 39.109 -4.340 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -11.249 39.021 -5.135 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -12.644 38.608 -4.576 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -11.471 43.905 0.749 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -12.378 43.711 0.428 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -10.920 43.804 -0.030 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -7.325 33.690 -2.485 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -6.370 33.615 -2.289 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -7.390 33.478 -3.420 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -4.006 33.492 0.628 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -3.089 33.494 0.918 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -4.416 32.751 1.130 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -7.800 40.182 -1.035 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -8.005 40.341 -0.086 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -8.468 40.715 -1.516 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -6.540 37.561 0.542 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -6.338 38.459 0.837 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -6.448 37.606 -0.437 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 -5.594 36.846 -9.738 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 -5.959 37.581 -10.265 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 -6.372 36.301 -9.516 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -4.450 33.672 -2.151 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -4.354 33.601 -1.179 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -4.350 34.635 -2.333 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -6.348 38.399 -4.845 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -6.075 37.600 -5.306 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -6.767 38.948 -5.544 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -7.538 39.630 -6.978 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -7.500 40.536 -7.307 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -7.704 39.087 -7.784 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -7.663 30.380 -6.017 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -7.096 30.906 -6.628 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -8.534 30.404 -6.425 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -8.481 40.386 1.607 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -8.785 39.725 2.258 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -8.885 41.209 1.902 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -10.119 40.321 -8.994 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -9.502 39.601 -9.230 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -10.612 40.498 -9.828 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -10.329 35.019 2.903 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -11.210 35.440 2.798 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -9.741 35.551 2.326 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -10.256 39.408 -6.478 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -10.410 39.797 -7.371 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -9.285 39.338 -6.417 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -6.321 31.917 -7.809 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -6.656 32.770 -8.165 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -5.466 31.798 -8.248 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -11.684 43.390 3.447 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -12.573 43.073 3.201 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -11.346 43.798 2.625 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -5.212 32.463 4.830 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -6.187 32.547 4.915 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -4.872 32.838 5.644 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -6.161 31.546 -1.001 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -5.529 30.917 -0.606 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -6.222 31.267 -1.935 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -5.123 31.566 2.269 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -4.896 31.834 3.189 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 -6.106 31.539 2.272 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -9.643 38.648 3.560 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -10.022 39.488 3.916 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -9.773 38.003 4.284 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -7.966 28.926 3.650 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -8.138 28.751 4.594 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -7.501 28.127 3.345 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -14.093 41.337 -2.396 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -13.668 41.499 -3.265 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -13.577 40.591 -2.014 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -10.005 36.316 5.283 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -10.088 35.763 4.475 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -9.407 35.800 5.866 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -12.180 39.434 -1.693 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -11.535 38.874 -1.201 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -12.071 39.154 -2.629 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -3.708 31.206 -3.144 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -3.888 32.114 -2.809 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -4.597 30.865 -3.389 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -4.385 34.545 -8.701 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -4.243 35.468 -8.968 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -5.360 34.471 -8.620 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -7.804 31.539 2.725 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -7.912 30.605 3.013 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -7.953 32.060 3.545 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -8.517 30.571 6.739 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -8.330 29.631 6.540 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -8.569 30.602 7.710 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -9.158 30.783 18.247 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -8.799 31.231 17.449 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -8.425 30.836 18.898 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -3.965 34.273 18.152 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -3.821 35.224 18.193 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -3.117 33.891 18.407 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -7.537 33.811 14.192 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -7.039 34.622 14.337 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -7.337 33.571 13.257 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -7.916 31.855 16.107 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -7.896 32.535 15.395 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -7.084 32.016 16.612 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -8.734 30.187 12.270 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -9.168 31.060 12.446 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -8.012 30.148 12.914 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -6.899 31.070 19.791 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -6.453 31.580 19.075 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -6.723 31.580 20.590 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -6.953 33.276 11.580 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -7.559 33.420 10.830 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -6.256 32.720 11.217 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -8.773 33.303 9.294 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -8.641 32.330 9.302 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -9.686 33.422 9.637 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 -4.131 30.078 17.588 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 -3.798 29.451 16.938 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 -4.552 29.515 18.270 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -12.296 36.957 6.735 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -11.857 37.534 7.370 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -11.565 36.633 6.162 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 14.670 -9.161 25.854 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 15.505 -9.150 25.371 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 14.249 -10.012 25.585 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 12.744 -7.255 26.434 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 13.077 -6.383 26.118 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 13.441 -7.888 26.165 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 13.959 -9.439 28.486 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 14.514 -8.917 29.119 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 14.346 -9.239 27.608 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 11.002 -11.950 28.544 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 11.943 -12.203 28.501 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 10.615 -12.579 29.183 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 5.590 -3.844 13.780 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 5.983 -2.963 13.575 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 5.987 -4.089 14.640 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 7.178 -7.691 12.499 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 8.124 -7.677 12.667 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 7.106 -7.673 11.521 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 10.963 -12.393 25.795 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 10.172 -12.931 25.594 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 10.848 -12.145 26.738 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 3.774 -7.698 20.564 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 4.199 -8.556 20.774 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 4.395 -7.266 19.966 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 10.812 -11.579 38.160 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 10.312 -11.055 38.832 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 10.267 -12.360 38.017 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 10.522 -12.088 32.395 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 11.440 -12.200 32.710 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 10.428 -12.757 31.683 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 13.174 -12.425 33.429 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 13.187 -12.958 34.232 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 13.757 -12.915 32.806 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 12.467 -9.874 36.718 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 11.823 -10.488 37.127 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 12.019 -9.552 35.929 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 16.879 -8.285 34.177 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 16.211 -8.980 34.010 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 17.097 -7.949 33.303 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 9.692 -10.083 40.132 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 10.366 -9.367 40.131 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 9.482 -10.206 41.063 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 18.002 -4.807 36.090 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 17.402 -5.562 36.283 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 18.665 -4.850 36.782 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 13.182 -10.777 39.466 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 12.479 -11.245 38.979 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 13.940 -10.801 38.868 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 14.790 -10.031 33.589 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 14.202 -10.794 33.741 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 14.175 -9.283 33.445 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 16.439 -11.490 31.961 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 15.925 -10.910 32.564 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 17.114 -10.913 31.596 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 11.887 -8.467 40.096 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 12.628 -7.912 40.418 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 12.309 -9.340 39.916 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 14.971 -13.730 31.814 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 15.568 -14.477 31.698 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 15.568 -12.939 31.803 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 10.388 -13.979 30.353 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 9.984 -14.830 30.145 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 11.352 -14.119 30.181 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 16.445 -6.306 27.874 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 16.678 -5.440 28.267 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 16.476 -6.152 26.927 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 15.423 -7.724 29.927 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 15.795 -7.283 29.129 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 15.734 -7.168 30.669 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 13.733 -12.134 27.989 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 13.889 -11.212 28.286 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 13.799 -12.085 27.016 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 13.539 -11.615 25.267 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 12.567 -11.768 25.388 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 13.796 -12.259 24.598 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 14.431 -3.634 27.905 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 13.977 -3.934 28.715 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 15.374 -3.592 28.166 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 13.040 -13.960 29.891 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 13.435 -13.449 29.153 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 13.717 -13.921 30.597 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 14.196 -7.060 40.316 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 14.126 -6.093 40.151 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 15.091 -7.178 40.656 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 13.115 -2.271 38.107 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 12.954 -1.507 38.703 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 12.219 -2.632 37.929 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 13.667 -4.434 39.844 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 13.511 -3.773 40.528 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 13.743 -3.908 39.018 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 14.549 -8.452 37.851 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 14.216 -8.154 38.714 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 13.805 -8.969 37.467 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 8.850 4.995 13.695 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 9.367 4.936 14.507 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 7.952 5.247 14.002 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 7.516 3.425 16.391 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 7.134 4.251 16.027 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 7.399 2.773 15.670 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 5.025 4.314 12.799 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 4.617 4.935 12.150 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 4.259 3.875 13.228 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 8.707 2.621 12.180 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 8.934 3.474 12.603 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 8.485 2.866 11.257 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 6.264 3.515 21.038 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 7.238 3.447 21.120 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 6.087 3.300 20.092 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 11.726 -2.524 25.125 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 11.843 -3.466 24.941 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 11.180 -2.504 25.938 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 10.283 -0.177 24.070 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 10.871 -0.951 24.096 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 10.041 -0.032 25.000 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 9.967 -4.917 27.350 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 10.589 -5.225 28.039 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 10.072 -3.943 27.353 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 16.954 -3.824 29.055 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 17.870 -3.536 28.826 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 16.674 -3.198 29.762 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 6.428 7.275 20.585 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 5.559 7.621 20.272 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 6.950 7.200 19.781 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 8.463 0.924 22.297 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 8.772 1.835 22.111 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 9.185 0.531 22.841 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 7.130 1.788 14.234 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 7.795 2.088 13.579 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 6.316 1.668 13.704 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 7.362 -0.453 15.716 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 7.289 0.429 15.283 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 7.697 -0.257 16.598 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 6.532 -1.353 13.236 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 7.099 -0.945 12.547 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 6.934 -1.061 14.081 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 5.944 -2.050 19.145 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 6.055 -1.138 19.505 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 6.624 -2.559 19.591 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 17.836 -6.099 15.645 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 18.157 -6.401 14.796 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 18.152 -6.754 16.267 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 8.496 -0.040 11.740 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 8.545 0.899 12.036 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 9.347 -0.412 11.995 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 13.719 -4.835 25.579 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 13.966 -4.433 26.442 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 14.125 -4.257 24.924 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 11.832 -5.506 29.369 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 12.727 -5.296 29.714 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 11.244 -4.866 29.837 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 12.017 -1.263 29.647 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 12.723 -1.194 30.310 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 12.260 -0.592 28.977 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 14.074 -4.478 30.547 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 14.437 -3.596 30.769 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 14.741 -5.100 30.903 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 6.655 -4.653 38.841 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 6.023 -4.369 39.516 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 7.303 -5.182 39.328 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 14.179 -2.715 35.624 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 14.368 -3.655 35.848 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 13.874 -2.330 36.475 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 12.866 -0.154 39.811 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 13.621 0.188 40.302 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 12.271 0.598 39.733 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 16.390 -6.975 36.513 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 16.638 -7.468 35.695 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 15.854 -7.622 37.028 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 11.553 -3.520 34.884 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 12.476 -3.217 34.833 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 11.371 -3.563 35.846 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 15.741 -2.241 30.983 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 15.914 -2.142 31.945 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 15.362 -1.372 30.718 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 13.928 -1.390 26.338 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 14.150 -2.173 26.880 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 13.217 -1.705 25.743 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 6.415 -5.154 33.929 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 7.369 -4.995 34.084 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 6.035 -5.225 34.829 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 15.831 -1.724 33.715 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 15.131 -2.097 34.304 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 16.202 -0.995 34.224 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 10.556 -3.428 30.596 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 11.067 -2.633 30.339 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 10.367 -3.294 31.533 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 14.612 0.132 30.297 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 14.965 0.969 30.618 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 14.209 0.357 29.429 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 13.267 0.611 27.977 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 13.571 -0.067 27.320 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 13.013 1.365 27.434 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 17.170 -4.178 33.546 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 16.793 -3.290 33.683 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 17.543 -4.417 34.424 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 16.413 -5.647 31.419 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 16.918 -5.160 30.748 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 16.690 -5.231 32.275 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 10.379 -2.201 27.513 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 10.869 -2.008 28.336 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 10.034 -1.323 27.231 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 8.947 -4.112 34.438 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 8.675 -3.824 35.334 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 9.926 -3.991 34.436 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 10.828 -3.638 37.511 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 10.965 -4.515 37.941 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 9.856 -3.565 37.415 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 14.260 -5.231 36.661 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 13.572 -5.849 36.930 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 15.076 -5.776 36.636 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 19.543 -3.172 28.433 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 19.956 -2.421 27.993 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 20.285 -3.716 28.723 1.00 0.00 WAT1 END