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: -1493.41, 81.7654, 97.3323, 62.2577, 428.953, -257.13, -1907.35, 0.74257, 1.586744E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.329555E-03,0.481708,1.51644,42.4764,2.693549E-03,5.778482E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 12, 2 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:39:03 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -16.570 -18.777 27.230 1.00 61.04 ATOM 2 CB MET 1 -17.382 -18.853 29.216 1.00 24.33 ATOM 3 HB1 MET 1 -17.948 -17.941 29.083 1.00 36.16 ATOM 4 HB2 MET 1 -17.002 -18.884 30.229 1.00 33.12 ATOM 5 CG MET 1 -18.327 -20.033 29.025 1.00 41.15 ATOM 6 HG1 MET 1 -19.137 -19.947 29.735 1.00 36.16 ATOM 7 HG2 MET 1 -17.783 -20.948 29.213 1.00 1.11 ATOM 8 SD MET 1 -19.023 -20.110 27.361 1.00 25.32 ATOM 9 CE MET 1 -20.019 -21.597 27.483 1.00 40.04 ATOM 10 HE1 MET 1 -20.490 -21.794 26.532 1.00 24.53 ATOM 11 HE2 MET 1 -20.778 -21.463 28.238 1.00 11.43 ATOM 12 HE3 MET 1 -19.390 -22.432 27.751 1.00 52.33 ATOM 13 C MET 1 -15.295 -17.635 28.523 1.00 33.12 ATOM 14 O MET 1 -14.967 -17.357 29.677 1.00 33.21 ATOM 15 N MET 1 -15.428 -20.116 28.361 1.00 25.12 ATOM 16 HT1 MET 1 -14.635 -20.116 27.690 1.00 36.16 ATOM 17 HT2 MET 1 -16.040 -20.930 28.148 1.00 36.16 ATOM 18 HT3 MET 1 -15.051 -20.222 29.325 1.00 36.16 ATOM 19 CA MET 1 -16.195 -18.848 28.241 1.00 33.25 ATOM 20 N GLY 2 -14.879 -16.930 27.471 1.00 2.44 ATOM 21 HN GLY 2 -15.130 -17.217 26.569 1.00 36.16 ATOM 22 CA GLY 2 -14.042 -15.747 27.653 1.00 71.42 ATOM 23 HA1 GLY 2 -13.293 -15.964 28.402 1.00 36.16 ATOM 24 HA2 GLY 2 -14.663 -14.938 28.011 1.00 5.21 ATOM 25 C GLY 2 -13.338 -15.292 26.377 1.00 62.01 ATOM 26 O GLY 2 -13.416 -15.953 25.341 1.00 2.20 ATOM 27 N HIS 3 -12.667 -14.142 26.452 1.00 23.33 ATOM 28 HN HIS 3 -12.698 -13.637 27.294 1.00 36.16 ATOM 29 CA HIS 3 -11.897 -13.594 25.326 1.00 5.12 ATOM 30 HA HIS 3 -11.755 -14.379 24.594 1.00 33.45 ATOM 31 CB HIS 3 -12.657 -12.427 24.677 1.00 52.14 ATOM 32 HB1 HIS 3 -12.100 -12.082 23.817 1.00 36.16 ATOM 33 HB2 HIS 3 -12.737 -11.618 25.391 1.00 54.04 ATOM 34 CG HIS 3 -14.043 -12.766 24.219 1.00 73.12 ATOM 35 ND1 HIS 3 -15.174 -12.375 24.900 1.00 43.11 ATOM 36 HD1 HIS 3 -15.190 -11.868 25.742 1.00 41.22 ATOM 37 CD2 HIS 3 -14.482 -13.440 23.129 1.00 25.32 ATOM 38 HD2 HIS 3 -13.868 -13.892 22.361 1.00 72.02 ATOM 39 CE1 HIS 3 -16.244 -12.790 24.256 1.00 54.42 ATOM 40 HE1 HIS 3 -17.268 -12.628 24.560 1.00 52.20 ATOM 41 NE2 HIS 3 -15.854 -13.437 23.179 1.00 1.33 ATOM 42 HE2 HIS 3 -16.449 -13.743 22.461 1.00 36.16 ATOM 43 C HIS 3 -10.519 -13.095 25.799 1.00 33.34 ATOM 44 O HIS 3 -10.267 -12.982 27.001 1.00 3.14 ATOM 45 N HIS 4 -9.634 -12.783 24.852 1.00 60.02 ATOM 46 HN HIS 4 -9.861 -12.956 23.914 1.00 36.16 ATOM 47 CA HIS 4 -8.329 -12.189 25.177 1.00 21.32 ATOM 48 HA HIS 4 -8.070 -12.498 26.181 1.00 30.24 ATOM 49 CB HIS 4 -7.251 -12.698 24.215 1.00 12.41 ATOM 50 HB1 HIS 4 -6.310 -12.220 24.450 1.00 36.16 ATOM 51 HB2 HIS 4 -7.531 -12.448 23.201 1.00 64.35 ATOM 52 CG HIS 4 -7.044 -14.184 24.287 1.00 75.14 ATOM 53 ND1 HIS 4 -6.773 -14.849 25.463 1.00 24.45 ATOM 54 HD1 HIS 4 -6.700 -14.440 26.352 1.00 61.32 ATOM 55 CD2 HIS 4 -7.083 -15.137 23.324 1.00 23.33 ATOM 56 HD2 HIS 4 -7.277 -14.979 22.272 1.00 13.43 ATOM 57 CE1 HIS 4 -6.646 -16.138 25.220 1.00 5.41 ATOM 58 HE1 HIS 4 -6.425 -16.898 25.955 1.00 75.41 ATOM 59 NE2 HIS 4 -6.831 -16.342 23.934 1.00 74.04 ATOM 60 HE2 HIS 4 -6.996 -17.222 23.529 1.00 36.16 ATOM 61 C HIS 4 -8.401 -10.653 25.147 1.00 2.42 ATOM 62 O HIS 4 -8.941 -10.062 24.207 1.00 32.04 ATOM 63 N HIS 5 -7.845 -10.014 26.172 1.00 24.24 ATOM 64 HN HIS 5 -7.324 -10.530 26.825 1.00 36.16 ATOM 65 CA HIS 5 -7.992 -8.567 26.364 1.00 71.55 ATOM 66 HA HIS 5 -8.923 -8.269 25.901 1.00 54.12 ATOM 67 CB HIS 5 -8.081 -8.265 27.866 1.00 24.04 ATOM 68 HB1 HIS 5 -7.218 -8.688 28.362 1.00 36.16 ATOM 69 HB2 HIS 5 -8.975 -8.721 28.268 1.00 61.34 ATOM 70 CG HIS 5 -8.130 -6.803 28.197 1.00 71.34 ATOM 71 ND1 HIS 5 -7.103 -6.147 28.836 1.00 3.11 ATOM 72 HD1 HIS 5 -6.257 -6.552 29.129 1.00 62.20 ATOM 73 CD2 HIS 5 -9.090 -5.870 27.982 1.00 30.31 ATOM 74 HD2 HIS 5 -10.045 -6.029 27.499 1.00 34.31 ATOM 75 CE1 HIS 5 -7.426 -4.884 29.007 1.00 64.14 ATOM 76 HE1 HIS 5 -6.811 -4.135 29.481 1.00 21.41 ATOM 77 NE2 HIS 5 -8.623 -4.688 28.497 1.00 33.14 ATOM 78 HE2 HIS 5 -9.057 -3.811 28.399 1.00 36.16 ATOM 79 C HIS 5 -6.847 -7.750 25.734 1.00 52.41 ATOM 80 O HIS 5 -5.684 -8.149 25.760 1.00 61.45 ATOM 81 N HIS 6 -7.211 -6.604 25.153 1.00 42.43 ATOM 82 HN HIS 6 -8.167 -6.433 25.015 1.00 36.16 ATOM 83 CA HIS 6 -6.250 -5.586 24.706 1.00 42.13 ATOM 84 HA HIS 6 -5.258 -5.902 25.008 1.00 20.12 ATOM 85 CB HIS 6 -6.294 -5.436 23.179 1.00 43.10 ATOM 86 HB1 HIS 6 -5.724 -4.564 22.889 1.00 36.16 ATOM 87 HB2 HIS 6 -7.321 -5.306 22.867 1.00 3.13 ATOM 88 CG HIS 6 -5.738 -6.618 22.441 1.00 22.11 ATOM 89 ND1 HIS 6 -4.453 -6.659 21.939 1.00 42.15 ATOM 90 HD1 HIS 6 -3.789 -5.937 21.996 1.00 50.03 ATOM 91 CD2 HIS 6 -6.296 -7.811 22.125 1.00 53.52 ATOM 92 HD2 HIS 6 -7.300 -8.132 22.362 1.00 64.50 ATOM 93 CE1 HIS 6 -4.247 -7.818 21.350 1.00 71.34 ATOM 94 HE1 HIS 6 -3.332 -8.128 20.865 1.00 12.02 ATOM 95 NE2 HIS 6 -5.346 -8.537 21.450 1.00 0.04 ATOM 96 HE2 HIS 6 -5.414 -9.490 21.232 1.00 36.16 ATOM 97 C HIS 6 -6.571 -4.245 25.390 1.00 35.11 ATOM 98 O HIS 6 -7.738 -3.935 25.629 1.00 22.33 ATOM 99 N HIS 7 -5.546 -3.459 25.719 1.00 13.54 ATOM 100 HN HIS 7 -4.642 -3.691 25.409 1.00 36.16 ATOM 101 CA HIS 7 -5.742 -2.254 26.543 1.00 14.21 ATOM 102 HA HIS 7 -6.802 -2.155 26.738 1.00 42.53 ATOM 103 CB HIS 7 -5.016 -2.439 27.885 1.00 52.33 ATOM 104 HB1 HIS 7 -3.951 -2.494 27.704 1.00 36.16 ATOM 105 HB2 HIS 7 -5.342 -3.365 28.337 1.00 74.04 ATOM 106 CG HIS 7 -5.261 -1.335 28.871 1.00 62.14 ATOM 107 ND1 HIS 7 -4.421 -0.254 29.010 1.00 3.31 ATOM 108 HD1 HIS 7 -3.603 -0.095 28.494 1.00 64.50 ATOM 109 CD2 HIS 7 -6.259 -1.146 29.769 1.00 1.22 ATOM 110 HD2 HIS 7 -7.102 -1.802 29.940 1.00 4.41 ATOM 111 CE1 HIS 7 -4.886 0.548 29.944 1.00 41.32 ATOM 112 HE1 HIS 7 -4.431 1.474 30.265 1.00 42.23 ATOM 113 NE2 HIS 7 -5.998 0.033 30.419 1.00 5.14 ATOM 114 HE2 HIS 7 -6.618 0.500 31.020 1.00 36.16 ATOM 115 C HIS 7 -5.254 -0.961 25.857 1.00 60.11 ATOM 116 O HIS 7 -5.535 0.141 26.333 1.00 4.45 ATOM 117 N HIS 8 -4.532 -1.081 24.747 1.00 2.24 ATOM 118 HN HIS 8 -4.407 -1.968 24.343 1.00 36.16 ATOM 119 CA HIS 8 -3.920 0.095 24.115 1.00 12.54 ATOM 120 HA HIS 8 -3.590 0.750 24.909 1.00 22.32 ATOM 121 CB HIS 8 -2.691 -0.319 23.295 1.00 61.34 ATOM 122 HB1 HIS 8 -3.013 -0.864 22.420 1.00 36.16 ATOM 123 HB2 HIS 8 -2.062 -0.956 23.899 1.00 74.34 ATOM 124 CG HIS 8 -1.862 0.841 22.837 1.00 42.12 ATOM 125 ND1 HIS 8 -1.948 1.382 21.574 1.00 10.22 ATOM 126 HD1 HIS 8 -2.537 1.068 20.857 1.00 4.44 ATOM 127 CD2 HIS 8 -0.928 1.570 23.491 1.00 75.13 ATOM 128 HD2 HIS 8 -0.601 1.428 24.512 1.00 0.45 ATOM 129 CE1 HIS 8 -1.106 2.389 21.469 1.00 62.50 ATOM 130 HE1 HIS 8 -0.958 3.001 20.592 1.00 51.44 ATOM 131 NE2 HIS 8 -0.477 2.524 22.618 1.00 74.43 ATOM 132 HE2 HIS 8 0.289 3.115 22.772 1.00 36.16 ATOM 133 C HIS 8 -4.916 0.877 23.235 1.00 72.42 ATOM 134 O HIS 8 -5.063 0.595 22.045 1.00 22.11 ATOM 135 N SER 9 -5.596 1.859 23.836 1.00 53.43 ATOM 136 HN SER 9 -5.470 2.002 24.799 1.00 36.16 ATOM 137 CA SER 9 -6.534 2.731 23.101 1.00 4.21 ATOM 138 HA SER 9 -6.029 3.072 22.206 1.00 4.55 ATOM 139 CB SER 9 -7.800 1.960 22.692 1.00 73.43 ATOM 140 HB1 SER 9 -8.316 1.620 23.579 1.00 36.16 ATOM 141 HB2 SER 9 -7.519 1.106 22.093 1.00 1.14 ATOM 142 OG SER 9 -8.685 2.780 21.933 1.00 22.14 ATOM 143 HG SER 9 -9.416 2.241 21.605 1.00 73.54 ATOM 144 C SER 9 -6.929 3.961 23.937 1.00 63.13 ATOM 145 O SER 9 -7.367 3.834 25.083 1.00 63.40 ATOM 146 N HIS 10 -6.767 5.153 23.358 1.00 2.52 ATOM 147 HN HIS 10 -6.421 5.191 22.441 1.00 36.16 ATOM 148 CA HIS 10 -7.090 6.412 24.048 1.00 31.11 ATOM 149 HA HIS 10 -7.500 6.167 25.018 1.00 24.42 ATOM 150 CB HIS 10 -5.817 7.250 24.246 1.00 53.23 ATOM 151 HB1 HIS 10 -6.092 8.224 24.627 1.00 36.16 ATOM 152 HB2 HIS 10 -5.324 7.373 23.294 1.00 41.41 ATOM 153 CG HIS 10 -4.831 6.647 25.199 1.00 70.31 ATOM 154 ND1 HIS 10 -4.703 7.068 26.506 1.00 1.14 ATOM 155 HD1 HIS 10 -5.232 7.777 26.932 1.00 65.30 ATOM 156 CD2 HIS 10 -3.917 5.661 25.036 1.00 15.45 ATOM 157 HD2 HIS 10 -3.736 5.095 24.133 1.00 32.15 ATOM 158 CE1 HIS 10 -3.757 6.372 27.101 1.00 61.45 ATOM 159 HE1 HIS 10 -3.439 6.486 28.126 1.00 21.11 ATOM 160 NE2 HIS 10 -3.265 5.513 26.234 1.00 2.23 ATOM 161 HE2 HIS 10 -2.670 4.769 26.462 1.00 36.16 ATOM 162 C HIS 10 -8.127 7.247 23.274 1.00 73.31 ATOM 163 O HIS 10 -8.078 7.343 22.048 1.00 34.11 ATOM 164 N MET 11 -9.057 7.865 24.001 1.00 4.11 ATOM 165 HN MET 11 -9.104 7.684 24.964 1.00 36.16 ATOM 166 CA MET 11 -10.023 8.797 23.404 1.00 61.12 ATOM 167 HA MET 11 -10.337 8.390 22.452 1.00 31.42 ATOM 168 CB MET 11 -11.254 8.934 24.323 1.00 2.21 ATOM 169 HB1 MET 11 -10.955 9.436 25.233 1.00 36.16 ATOM 170 HB2 MET 11 -11.613 7.948 24.571 1.00 32.43 ATOM 171 CG MET 11 -12.406 9.717 23.701 1.00 60.05 ATOM 172 HG1 MET 11 -12.716 9.215 22.796 1.00 36.16 ATOM 173 HG2 MET 11 -12.054 10.709 23.452 1.00 42.24 ATOM 174 SD MET 11 -13.834 9.866 24.797 1.00 44.12 ATOM 175 CE MET 11 -13.152 10.865 26.122 1.00 22.13 ATOM 176 HE1 MET 11 -12.778 11.793 25.718 1.00 11.31 ATOM 177 HE2 MET 11 -12.345 10.329 26.601 1.00 45.10 ATOM 178 HE3 MET 11 -13.927 11.074 26.843 1.00 74.54 ATOM 179 C MET 11 -9.360 10.172 23.167 1.00 54.40 ATOM 180 O MET 11 -9.827 11.202 23.653 1.00 63.52 ATOM 181 N ALA 12 -8.259 10.175 22.416 1.00 53.24 ATOM 182 HN ALA 12 -7.966 9.335 22.003 1.00 36.16 ATOM 183 CA ALA 12 -7.470 11.396 22.190 1.00 64.54 ATOM 184 HA ALA 12 -7.631 12.058 23.030 1.00 60.11 ATOM 185 CB ALA 12 -5.983 11.052 22.152 1.00 61.41 ATOM 186 HB1 ALA 12 -5.779 10.419 21.301 1.00 62.41 ATOM 187 HB2 ALA 12 -5.709 10.534 23.059 1.00 51.04 ATOM 188 HB3 ALA 12 -5.404 11.962 22.070 1.00 64.54 ATOM 189 C ALA 12 -7.877 12.135 20.901 1.00 42.55 ATOM 190 O ALA 12 -7.195 13.069 20.470 1.00 34.02 ATOM 191 N LYS 13 -8.986 11.725 20.290 1.00 21.50 ATOM 192 HN LYS 13 -9.502 10.990 20.682 1.00 36.16 ATOM 193 CA LYS 13 -9.473 12.368 19.061 1.00 14.02 ATOM 194 HA LYS 13 -8.640 12.888 18.609 1.00 10.41 ATOM 195 CB LYS 13 -10.005 11.318 18.063 1.00 34.43 ATOM 196 HB1 LYS 13 -10.234 11.814 17.129 1.00 36.16 ATOM 197 HB2 LYS 13 -10.916 10.890 18.460 1.00 55.15 ATOM 198 CG LYS 13 -9.025 10.178 17.769 1.00 4.51 ATOM 199 HG1 LYS 13 -8.018 10.572 17.786 1.00 36.16 ATOM 200 HG2 LYS 13 -9.235 9.781 16.786 1.00 40.01 ATOM 201 CD LYS 13 -9.130 9.044 18.793 1.00 4.54 ATOM 202 HD1 LYS 13 -9.053 9.458 19.790 1.00 36.16 ATOM 203 HD2 LYS 13 -8.317 8.348 18.630 1.00 72.14 ATOM 204 CE LYS 13 -10.457 8.297 18.665 1.00 61.14 ATOM 205 HE1 LYS 13 -10.490 7.806 17.701 1.00 36.16 ATOM 206 HE2 LYS 13 -11.266 9.011 18.727 1.00 2.53 ATOM 207 NZ LYS 13 -10.646 7.276 19.732 1.00 21.21 ATOM 208 HZ1 LYS 13 -11.497 6.711 19.531 1.00 43.33 ATOM 209 HZ2 LYS 13 -10.774 7.740 20.652 1.00 14.53 ATOM 210 HZ3 LYS 13 -9.825 6.641 19.784 1.00 61.43 ATOM 211 C LYS 13 -10.574 13.394 19.388 1.00 40.43 ATOM 212 O LYS 13 -11.466 13.110 20.192 1.00 41.35 ATOM 213 N PRO 14 -10.518 14.601 18.780 1.00 2.23 ATOM 214 CA PRO 14 -11.505 15.678 19.026 1.00 21.53 ATOM 215 HA PRO 14 -11.335 16.145 19.986 1.00 32.35 ATOM 216 CB PRO 14 -11.194 16.685 17.913 1.00 35.25 ATOM 217 HB1 PRO 14 -11.405 17.687 18.257 1.00 36.16 ATOM 218 HB2 PRO 14 -11.794 16.465 17.039 1.00 22.14 ATOM 219 CG PRO 14 -9.741 16.496 17.638 1.00 60.45 ATOM 220 HG1 PRO 14 -9.152 17.072 18.342 1.00 36.16 ATOM 221 HG2 PRO 14 -9.515 16.799 16.625 1.00 41.43 ATOM 222 CD PRO 14 -9.478 15.023 17.817 1.00 34.24 ATOM 223 HD1 PRO 14 -8.490 14.861 18.222 1.00 36.16 ATOM 224 HD2 PRO 14 -9.590 14.502 16.877 1.00 63.53 ATOM 225 C PRO 14 -12.975 15.217 18.950 1.00 23.32 ATOM 226 O PRO 14 -13.280 14.147 18.414 1.00 12.10 ATOM 227 N THR 15 -13.881 16.044 19.478 1.00 54.42 ATOM 228 HN THR 15 -13.583 16.913 19.820 1.00 36.16 ATOM 229 CA THR 15 -15.312 15.693 19.573 1.00 44.35 ATOM 230 HA THR 15 -15.399 14.910 20.315 1.00 51.05 ATOM 231 CB THR 15 -16.169 16.891 20.053 1.00 24.21 ATOM 232 HB THR 15 -15.832 17.179 21.040 1.00 5.21 ATOM 233 OG1 THR 15 -17.555 16.509 20.132 1.00 32.03 ATOM 234 HG1 THR 15 -18.085 17.283 20.376 1.00 13.42 ATOM 235 CG2 THR 15 -16.019 18.093 19.123 1.00 4.03 ATOM 236 HG21 THR 15 -16.351 17.823 18.128 1.00 32.22 ATOM 237 HG22 THR 15 -14.982 18.395 19.086 1.00 53.01 ATOM 238 HG23 THR 15 -16.621 18.912 19.491 1.00 72.03 ATOM 239 C THR 15 -15.896 15.173 18.248 1.00 21.44 ATOM 240 O THR 15 -15.739 15.795 17.193 1.00 31.42 ATOM 241 N ALA 16 -16.567 14.024 18.316 1.00 54.31 ATOM 242 HN ALA 16 -16.608 13.550 19.175 1.00 36.16 ATOM 243 CA ALA 16 -17.229 13.436 17.145 1.00 51.52 ATOM 244 HA ALA 16 -16.557 13.522 16.302 1.00 44.43 ATOM 245 CB ALA 16 -17.492 11.954 17.388 1.00 23.44 ATOM 246 HB1 ALA 16 -18.180 11.840 18.215 1.00 70.44 ATOM 247 HB2 ALA 16 -16.561 11.458 17.625 1.00 63.23 ATOM 248 HB3 ALA 16 -17.920 11.512 16.501 1.00 71.24 ATOM 249 C ALA 16 -18.543 14.163 16.809 1.00 1.15 ATOM 250 O ALA 16 -19.013 14.128 15.670 1.00 45.24 ATOM 251 N ARG 17 -19.132 14.821 17.809 1.00 23.02 ATOM 252 HN ARG 17 -18.703 14.826 18.690 1.00 36.16 ATOM 253 CA ARG 17 -20.388 15.560 17.620 1.00 35.51 ATOM 254 HA ARG 17 -20.891 15.142 16.755 1.00 61.54 ATOM 255 CB ARG 17 -21.315 15.423 18.847 1.00 74.14 ATOM 256 HB1 ARG 17 -22.215 15.992 18.660 1.00 36.16 ATOM 257 HB2 ARG 17 -20.815 15.844 19.709 1.00 2.22 ATOM 258 CG ARG 17 -21.723 13.989 19.189 1.00 20.23 ATOM 259 HG1 ARG 17 -22.046 13.493 18.284 1.00 36.16 ATOM 260 HG2 ARG 17 -22.541 14.015 19.896 1.00 14.42 ATOM 261 CD ARG 17 -20.574 13.200 19.801 1.00 74.31 ATOM 262 HD1 ARG 17 -20.214 13.733 20.670 1.00 36.16 ATOM 263 HD2 ARG 17 -19.777 13.129 19.073 1.00 62.32 ATOM 264 NE ARG 17 -20.965 11.852 20.201 1.00 45.52 ATOM 265 HE ARG 17 -21.804 11.496 19.842 1.00 11.01 ATOM 266 CZ ARG 17 -20.262 11.102 21.007 1.00 13.31 ATOM 267 NH1 ARG 17 -19.148 11.534 21.498 1.00 62.44 ATOM 268 HH11 ARG 17 -18.818 12.447 21.266 1.00 44.32 ATOM 269 HH12 ARG 17 -18.621 10.952 22.112 1.00 41.12 ATOM 270 NH2 ARG 17 -20.670 9.919 21.324 1.00 74.14 ATOM 271 HH21 ARG 17 -21.530 9.569 20.954 1.00 32.13 ATOM 272 HH22 ARG 17 -20.126 9.360 21.947 1.00 63.31 ATOM 273 C ARG 17 -20.103 17.045 17.347 1.00 2.44 ATOM 274 O ARG 17 -19.961 17.842 18.276 1.00 3.21 ATOM 275 N GLY 18 -19.998 17.404 16.071 1.00 22.11 ATOM 276 HN GLY 18 -20.119 16.727 15.372 1.00 36.16 ATOM 277 CA GLY 18 -19.709 18.786 15.702 1.00 70.42 ATOM 278 HA1 GLY 18 -18.666 18.989 15.903 1.00 36.16 ATOM 279 HA2 GLY 18 -20.313 19.446 16.311 1.00 44.52 ATOM 280 C GLY 18 -19.993 19.082 14.235 1.00 21.20 ATOM 281 O GLY 18 -19.151 19.636 13.528 1.00 33.20 ATOM 282 N GLU 19 -21.180 18.704 13.769 1.00 11.01 ATOM 283 HN GLU 19 -21.801 18.236 14.369 1.00 36.16 ATOM 284 CA GLU 19 -21.590 18.973 12.388 1.00 70.01 ATOM 285 HA GLU 19 -20.706 18.936 11.765 1.00 35.25 ATOM 286 CB GLU 19 -22.580 17.905 11.905 1.00 55.41 ATOM 287 HB1 GLU 19 -22.975 18.207 10.944 1.00 36.16 ATOM 288 HB2 GLU 19 -23.397 17.844 12.611 1.00 3.01 ATOM 289 CG GLU 19 -21.977 16.514 11.753 1.00 44.23 ATOM 290 HG1 GLU 19 -21.595 16.194 12.714 1.00 36.16 ATOM 291 HG2 GLU 19 -21.166 16.561 11.042 1.00 44.33 ATOM 292 CD GLU 19 -22.994 15.495 11.265 1.00 53.25 ATOM 293 OE1 GLU 19 -23.725 15.799 10.298 1.00 64.24 ATOM 294 OE2 GLU 19 -23.068 14.388 11.844 1.00 35.51 ATOM 295 C GLU 19 -22.227 20.361 12.260 1.00 72.11 ATOM 296 O GLU 19 -23.370 20.570 12.670 1.00 71.31 ATOM 297 N ALA 20 -21.484 21.304 11.693 1.00 43.04 ATOM 298 HN ALA 20 -20.577 21.082 11.394 1.00 36.16 ATOM 299 CA ALA 20 -21.978 22.670 11.500 1.00 54.33 ATOM 300 HA ALA 20 -23.054 22.660 11.618 1.00 11.41 ATOM 301 CB ALA 20 -21.396 23.592 12.566 1.00 15.54 ATOM 302 HB1 ALA 20 -20.320 23.631 12.463 1.00 11.21 ATOM 303 HB2 ALA 20 -21.648 23.214 13.546 1.00 53.23 ATOM 304 HB3 ALA 20 -21.804 24.586 12.449 1.00 21.43 ATOM 305 C ALA 20 -21.641 23.197 10.100 1.00 44.13 ATOM 306 O ALA 20 -20.982 22.517 9.311 1.00 30.32 ATOM 307 N GLY 21 -22.102 24.408 9.796 1.00 61.44 ATOM 308 HN GLY 21 -22.648 24.893 10.452 1.00 36.16 ATOM 309 CA GLY 21 -21.815 25.018 8.502 1.00 0.42 ATOM 310 HA1 GLY 21 -20.918 24.572 8.095 1.00 36.16 ATOM 311 HA2 GLY 21 -21.636 26.073 8.653 1.00 23.14 ATOM 312 C GLY 21 -22.947 24.850 7.489 1.00 22.44 ATOM 313 O GLY 21 -23.756 23.925 7.591 1.00 73.42 ATOM 314 N SER 22 -23.008 25.756 6.514 1.00 73.21 ATOM 315 HN SER 22 -22.370 26.502 6.520 1.00 36.16 ATOM 316 CA SER 22 -24.017 25.686 5.443 1.00 55.14 ATOM 317 HA SER 22 -24.966 25.445 5.898 1.00 72.12 ATOM 318 CB SER 22 -24.137 27.046 4.741 1.00 10.21 ATOM 319 HB1 SER 22 -23.182 27.314 4.311 1.00 36.16 ATOM 320 HB2 SER 22 -24.427 27.796 5.463 1.00 60.25 ATOM 321 OG SER 22 -25.109 27.013 3.706 1.00 42.32 ATOM 322 HG SER 22 -25.370 27.918 3.484 1.00 52.34 ATOM 323 C SER 22 -23.679 24.593 4.411 1.00 41.34 ATOM 324 O SER 22 -22.683 23.879 4.545 1.00 33.25 ATOM 325 N ARG 23 -24.510 24.480 3.372 1.00 13.33 ATOM 326 HN ARG 23 -25.261 25.108 3.298 1.00 36.16 ATOM 327 CA ARG 23 -24.335 23.456 2.334 1.00 14.12 ATOM 328 HA ARG 23 -24.437 22.488 2.803 1.00 41.14 ATOM 329 CB ARG 23 -25.425 23.608 1.263 1.00 13.31 ATOM 330 HB1 ARG 23 -25.224 24.499 0.684 1.00 36.16 ATOM 331 HB2 ARG 23 -26.381 23.723 1.755 1.00 65.13 ATOM 332 CG ARG 23 -25.525 22.427 0.303 1.00 34.32 ATOM 333 HG1 ARG 23 -25.788 21.540 0.862 1.00 36.16 ATOM 334 HG2 ARG 23 -24.566 22.280 -0.175 1.00 3.25 ATOM 335 CD ARG 23 -26.583 22.665 -0.772 1.00 61.35 ATOM 336 HD1 ARG 23 -26.232 23.437 -1.443 1.00 36.16 ATOM 337 HD2 ARG 23 -27.494 22.996 -0.292 1.00 12.40 ATOM 338 NE ARG 23 -26.874 21.456 -1.541 1.00 54.51 ATOM 339 HE ARG 23 -26.873 20.604 -1.060 1.00 71.21 ATOM 340 CZ ARG 23 -27.173 21.442 -2.813 1.00 70.31 ATOM 341 NH1 ARG 23 -27.159 22.530 -3.512 1.00 23.15 ATOM 342 HH11 ARG 23 -26.922 23.395 -3.085 1.00 3.10 ATOM 343 HH12 ARG 23 -27.380 22.498 -4.486 1.00 71.33 ATOM 344 NH2 ARG 23 -27.489 20.330 -3.384 1.00 44.04 ATOM 345 HH21 ARG 23 -27.508 19.487 -2.851 1.00 15.34 ATOM 346 HH22 ARG 23 -27.711 20.314 -4.357 1.00 0.23 ATOM 347 C ARG 23 -22.945 23.553 1.682 1.00 32.24 ATOM 348 O ARG 23 -22.181 22.583 1.668 1.00 33.45 ATOM 349 N ASP 24 -22.625 24.736 1.156 1.00 13.33 ATOM 350 HN ASP 24 -23.291 25.459 1.171 1.00 36.16 ATOM 351 CA ASP 24 -21.320 24.990 0.533 1.00 62.14 ATOM 352 HA ASP 24 -21.194 24.279 -0.271 1.00 41.22 ATOM 353 CB ASP 24 -21.292 26.409 -0.052 1.00 21.33 ATOM 354 HB1 ASP 24 -20.369 26.550 -0.599 1.00 36.16 ATOM 355 HB2 ASP 24 -21.339 27.128 0.755 1.00 64.14 ATOM 356 CG ASP 24 -22.457 26.664 -0.994 1.00 24.42 ATOM 357 OD1 ASP 24 -23.513 27.140 -0.521 1.00 12.55 ATOM 358 OD2 ASP 24 -22.329 26.379 -2.203 1.00 1.44 ATOM 359 C ASP 24 -20.168 24.808 1.539 1.00 35.33 ATOM 360 O ASP 24 -19.083 24.344 1.182 1.00 11.44 ATOM 361 N GLU 25 -20.420 25.157 2.801 1.00 0.44 ATOM 362 HN GLU 25 -21.301 25.516 3.022 1.00 36.16 ATOM 363 CA GLU 25 -19.419 25.015 3.868 1.00 51.54 ATOM 364 HA GLU 25 -18.529 25.546 3.555 1.00 52.41 ATOM 365 CB GLU 25 -19.936 25.646 5.171 1.00 41.01 ATOM 366 HB1 GLU 25 -19.261 25.387 5.975 1.00 36.16 ATOM 367 HB2 GLU 25 -20.912 25.236 5.392 1.00 4.42 ATOM 368 CG GLU 25 -20.061 27.172 5.129 1.00 41.43 ATOM 369 HG1 GLU 25 -20.619 27.497 5.997 1.00 36.16 ATOM 370 HG2 GLU 25 -20.603 27.450 4.236 1.00 11.40 ATOM 371 CD GLU 25 -18.712 27.888 5.126 1.00 35.04 ATOM 372 OE1 GLU 25 -18.503 28.789 4.287 1.00 22.01 ATOM 373 OE2 GLU 25 -17.862 27.560 5.977 1.00 45.32 ATOM 374 C GLU 25 -19.050 23.539 4.104 1.00 62.03 ATOM 375 O GLU 25 -17.869 23.190 4.155 1.00 41.10 ATOM 376 N ARG 26 -20.058 22.666 4.235 1.00 72.25 ATOM 377 HN ARG 26 -20.983 22.994 4.214 1.00 36.16 ATOM 378 CA ARG 26 -19.804 21.229 4.417 1.00 74.14 ATOM 379 HA ARG 26 -19.180 21.125 5.295 1.00 15.12 ATOM 380 CB ARG 26 -21.109 20.451 4.654 1.00 11.42 ATOM 381 HB1 ARG 26 -20.894 19.391 4.611 1.00 36.16 ATOM 382 HB2 ARG 26 -21.806 20.698 3.866 1.00 74.21 ATOM 383 CG ARG 26 -21.781 20.749 5.995 1.00 35.30 ATOM 384 HG1 ARG 26 -22.232 21.731 5.951 1.00 36.16 ATOM 385 HG2 ARG 26 -21.033 20.732 6.777 1.00 44.30 ATOM 386 CD ARG 26 -22.863 19.719 6.321 1.00 63.12 ATOM 387 HD1 ARG 26 -22.408 18.739 6.366 1.00 36.16 ATOM 388 HD2 ARG 26 -23.601 19.732 5.531 1.00 31.03 ATOM 389 NE ARG 26 -23.536 19.994 7.592 1.00 11.31 ATOM 390 HE ARG 26 -23.788 20.921 7.777 1.00 33.44 ATOM 391 CZ ARG 26 -23.857 19.080 8.476 1.00 75.54 ATOM 392 NH1 ARG 26 -23.498 17.843 8.320 1.00 20.53 ATOM 393 HH11 ARG 26 -22.965 17.572 7.522 1.00 32.34 ATOM 394 HH12 ARG 26 -23.753 17.159 9.006 1.00 45.13 ATOM 395 NH2 ARG 26 -24.530 19.414 9.528 1.00 1.25 ATOM 396 HH21 ARG 26 -24.799 20.368 9.663 1.00 24.21 ATOM 397 HH22 ARG 26 -24.783 18.721 10.198 1.00 3.44 ATOM 398 C ARG 26 -19.045 20.634 3.216 1.00 32.02 ATOM 399 O ARG 26 -18.307 19.656 3.356 1.00 45.51 ATOM 400 N ARG 27 -19.238 21.225 2.036 1.00 74.41 ATOM 401 HN ARG 27 -19.911 21.937 1.964 1.00 36.16 ATOM 402 CA ARG 27 -18.476 20.839 0.843 1.00 21.31 ATOM 403 HA ARG 27 -18.485 19.758 0.782 1.00 72.03 ATOM 404 CB ARG 27 -19.136 21.416 -0.423 1.00 62.31 ATOM 405 HB1 ARG 27 -18.523 21.170 -1.279 1.00 36.16 ATOM 406 HB2 ARG 27 -19.186 22.493 -0.330 1.00 25.45 ATOM 407 CG ARG 27 -20.552 20.894 -0.682 1.00 54.13 ATOM 408 HG1 ARG 27 -21.043 21.555 -1.385 1.00 36.16 ATOM 409 HG2 ARG 27 -21.100 20.897 0.249 1.00 33.22 ATOM 410 CD ARG 27 -20.565 19.471 -1.249 1.00 12.23 ATOM 411 HD1 ARG 27 -20.127 19.489 -2.238 1.00 36.16 ATOM 412 HD2 ARG 27 -21.591 19.139 -1.323 1.00 31.23 ATOM 413 NE ARG 27 -19.819 18.522 -0.418 1.00 41.25 ATOM 414 HE ARG 27 -18.845 18.610 -0.404 1.00 13.31 ATOM 415 CZ ARG 27 -20.360 17.567 0.293 1.00 54.54 ATOM 416 NH1 ARG 27 -21.642 17.382 0.287 1.00 42.44 ATOM 417 HH11 ARG 27 -22.226 17.969 -0.262 1.00 12.32 ATOM 418 HH12 ARG 27 -22.040 16.643 0.829 1.00 14.44 ATOM 419 NH2 ARG 27 -19.608 16.792 1.004 1.00 71.13 ATOM 420 HH21 ARG 27 -18.622 16.925 1.008 1.00 23.55 ATOM 421 HH22 ARG 27 -20.015 16.055 1.541 1.00 1.43 ATOM 422 C ARG 27 -17.018 21.311 0.957 1.00 45.31 ATOM 423 O ARG 27 -16.086 20.588 0.599 1.00 35.21 ATOM 424 N ALA 28 -16.837 22.522 1.483 1.00 52.31 ATOM 425 HN ALA 28 -17.625 23.053 1.732 1.00 36.16 ATOM 426 CA ALA 28 -15.504 23.095 1.697 1.00 62.53 ATOM 427 HA ALA 28 -14.995 23.115 0.743 1.00 35.03 ATOM 428 CB ALA 28 -15.626 24.535 2.195 1.00 35.34 ATOM 429 HB1 ALA 28 -14.643 24.977 2.275 1.00 41.20 ATOM 430 HB2 ALA 28 -16.103 24.541 3.167 1.00 50.31 ATOM 431 HB3 ALA 28 -16.223 25.108 1.501 1.00 21.41 ATOM 432 C ALA 28 -14.677 22.253 2.683 1.00 14.50 ATOM 433 O ALA 28 -13.570 21.813 2.367 1.00 11.23 ATOM 434 N LEU 29 -15.223 22.020 3.876 1.00 34.04 ATOM 435 HN LEU 29 -16.112 22.389 4.075 1.00 36.16 ATOM 436 CA LEU 29 -14.521 21.242 4.907 1.00 13.55 ATOM 437 HA LEU 29 -13.530 21.668 4.994 1.00 4.45 ATOM 438 CB LEU 29 -15.223 21.390 6.271 1.00 63.33 ATOM 439 HB1 LEU 29 -15.140 22.425 6.575 1.00 36.16 ATOM 440 HB2 LEU 29 -14.688 20.786 6.992 1.00 54.13 ATOM 441 CG LEU 29 -16.713 20.995 6.324 1.00 1.24 ATOM 442 HG LEU 29 -17.175 21.258 5.382 1.00 42.42 ATOM 443 CD1 LEU 29 -16.885 19.490 6.514 1.00 20.05 ATOM 444 HD11 LEU 29 -17.938 19.246 6.528 1.00 2.52 ATOM 445 HD12 LEU 29 -16.434 19.188 7.449 1.00 11.32 ATOM 446 HD13 LEU 29 -16.407 18.967 5.699 1.00 4.30 ATOM 447 CD2 LEU 29 -17.438 21.767 7.429 1.00 25.21 ATOM 448 HD21 LEU 29 -16.988 21.540 8.385 1.00 51.34 ATOM 449 HD22 LEU 29 -18.480 21.480 7.444 1.00 54.12 ATOM 450 HD23 LEU 29 -17.361 22.829 7.237 1.00 21.15 ATOM 451 C LEU 29 -14.357 19.762 4.508 1.00 42.24 ATOM 452 O LEU 29 -13.486 19.065 5.035 1.00 12.22 ATOM 453 N ALA 30 -15.190 19.286 3.577 1.00 60.35 ATOM 454 HN ALA 30 -15.926 19.853 3.264 1.00 36.16 ATOM 455 CA ALA 30 -15.041 17.935 3.018 1.00 3.22 ATOM 456 HA ALA 30 -15.043 17.229 3.840 1.00 2.42 ATOM 457 CB ALA 30 -16.221 17.608 2.106 1.00 34.22 ATOM 458 HB1 ALA 30 -17.143 17.709 2.661 1.00 51.41 ATOM 459 HB2 ALA 30 -16.130 16.596 1.741 1.00 30.31 ATOM 460 HB3 ALA 30 -16.229 18.292 1.270 1.00 33.11 ATOM 461 C ALA 30 -13.715 17.804 2.250 1.00 71.51 ATOM 462 O ALA 30 -13.019 16.793 2.349 1.00 64.12 ATOM 463 N MET 31 -13.373 18.844 1.487 1.00 24.41 ATOM 464 HN MET 31 -14.010 19.584 1.378 1.00 36.16 ATOM 465 CA MET 31 -12.074 18.918 0.801 1.00 3.45 ATOM 466 HA MET 31 -11.727 17.909 0.628 1.00 22.34 ATOM 467 CB MET 31 -12.231 19.633 -0.549 1.00 1.24 ATOM 468 HB1 MET 31 -11.254 19.747 -0.999 1.00 36.16 ATOM 469 HB2 MET 31 -12.652 20.613 -0.376 1.00 23.23 ATOM 470 CG MET 31 -13.128 18.896 -1.536 1.00 65.22 ATOM 471 HG1 MET 31 -13.248 19.508 -2.419 1.00 36.16 ATOM 472 HG2 MET 31 -14.093 18.741 -1.077 1.00 31.11 ATOM 473 SD MET 31 -12.461 17.292 -2.029 1.00 53.42 ATOM 474 CE MET 31 -10.921 17.780 -2.801 1.00 3.32 ATOM 475 HE1 MET 31 -10.292 18.266 -2.071 1.00 14.54 ATOM 476 HE2 MET 31 -11.124 18.464 -3.613 1.00 51.23 ATOM 477 HE3 MET 31 -10.418 16.905 -3.182 1.00 62.15 ATOM 478 C MET 31 -11.039 19.659 1.668 1.00 50.13 ATOM 479 O MET 31 -9.940 19.973 1.212 1.00 23.41 ATOM 480 N LYS 32 -11.419 19.925 2.920 1.00 11.40 ATOM 481 HN LYS 32 -12.301 19.617 3.210 1.00 36.16 ATOM 482 CA LYS 32 -10.578 20.646 3.885 1.00 34.13 ATOM 483 HA LYS 32 -11.197 20.831 4.752 1.00 72.12 ATOM 484 CB LYS 32 -9.391 19.779 4.325 1.00 53.11 ATOM 485 HB1 LYS 32 -8.750 20.362 4.971 1.00 36.16 ATOM 486 HB2 LYS 32 -8.833 19.484 3.446 1.00 15.15 ATOM 487 CG LYS 32 -9.813 18.515 5.076 1.00 10.20 ATOM 488 HG1 LYS 32 -10.399 17.893 4.411 1.00 36.16 ATOM 489 HG2 LYS 32 -10.416 18.798 5.926 1.00 3.40 ATOM 490 CD LYS 32 -8.616 17.711 5.575 1.00 13.43 ATOM 491 HD1 LYS 32 -8.975 16.861 6.140 1.00 36.16 ATOM 492 HD2 LYS 32 -8.015 18.338 6.219 1.00 72.43 ATOM 493 CE LYS 32 -7.749 17.210 4.430 1.00 31.42 ATOM 494 HE1 LYS 32 -7.381 18.060 3.873 1.00 36.16 ATOM 495 HE2 LYS 32 -8.347 16.588 3.782 1.00 41.50 ATOM 496 NZ LYS 32 -6.592 16.420 4.921 1.00 41.32 ATOM 497 HZ1 LYS 32 -6.061 16.025 4.118 1.00 40.32 ATOM 498 HZ2 LYS 32 -6.919 15.638 5.519 1.00 55.14 ATOM 499 HZ3 LYS 32 -5.955 17.023 5.478 1.00 53.52 ATOM 500 C LYS 32 -10.107 22.010 3.354 1.00 50.32 ATOM 501 O LYS 32 -8.918 22.229 3.111 1.00 10.23 ATOM 502 N ILE 33 -11.067 22.912 3.156 1.00 63.33 ATOM 503 HN ILE 33 -12.001 22.633 3.259 1.00 36.16 ATOM 504 CA ILE 33 -10.785 24.297 2.771 1.00 5.23 ATOM 505 HA ILE 33 -9.825 24.320 2.276 1.00 65.44 ATOM 506 CB ILE 33 -11.857 24.825 1.780 1.00 73.43 ATOM 507 HB ILE 33 -12.823 24.738 2.258 1.00 42.14 ATOM 508 CG1 ILE 33 -11.866 23.979 0.491 1.00 54.43 ATOM 509 HG11 ILE 33 -12.624 24.361 -0.179 1.00 36.16 ATOM 510 HG12 ILE 33 -12.102 22.955 0.742 1.00 74.24 ATOM 511 CG2 ILE 33 -11.627 26.299 1.454 1.00 22.00 ATOM 512 HG21 ILE 33 -10.654 26.421 1.003 1.00 30.22 ATOM 513 HG22 ILE 33 -11.678 26.882 2.362 1.00 75.02 ATOM 514 HG23 ILE 33 -12.388 26.641 0.766 1.00 70.31 ATOM 515 CD1 ILE 33 -10.545 23.977 -0.255 1.00 44.23 ATOM 516 HD11 ILE 33 -10.271 24.990 -0.512 1.00 34.13 ATOM 517 HD12 ILE 33 -10.643 23.391 -1.156 1.00 31.44 ATOM 518 HD13 ILE 33 -9.778 23.544 0.372 1.00 11.32 ATOM 519 C ILE 33 -10.732 25.206 4.019 1.00 65.11 ATOM 520 O ILE 33 -11.745 25.422 4.688 1.00 54.24 ATOM 521 N PRO 34 -9.545 25.757 4.343 1.00 71.24 ATOM 522 CA PRO 34 -9.330 26.520 5.586 1.00 41.22 ATOM 523 HA PRO 34 -9.823 26.048 6.422 1.00 11.51 ATOM 524 CB PRO 34 -7.814 26.410 5.768 1.00 54.42 ATOM 525 HB1 PRO 34 -7.578 25.503 6.308 1.00 36.16 ATOM 526 HB2 PRO 34 -7.447 27.268 6.315 1.00 20.14 ATOM 527 CG PRO 34 -7.272 26.372 4.377 1.00 1.51 ATOM 528 HG1 PRO 34 -6.344 25.822 4.360 1.00 36.16 ATOM 529 HG2 PRO 34 -7.113 27.381 4.017 1.00 2.24 ATOM 530 CD PRO 34 -8.312 25.673 3.532 1.00 22.44 ATOM 531 HD1 PRO 34 -8.032 24.641 3.367 1.00 36.16 ATOM 532 HD2 PRO 34 -8.437 26.185 2.588 1.00 32.43 ATOM 533 C PRO 34 -9.765 27.999 5.514 1.00 61.32 ATOM 534 O PRO 34 -9.196 28.848 6.202 1.00 2.41 ATOM 535 N PHE 35 -10.777 28.302 4.701 1.00 21.42 ATOM 536 HN PHE 35 -11.177 27.594 4.155 1.00 36.16 ATOM 537 CA PHE 35 -11.316 29.670 4.607 1.00 4.00 ATOM 538 HA PHE 35 -11.248 30.102 5.599 1.00 61.24 ATOM 539 CB PHE 35 -10.470 30.534 3.646 1.00 14.41 ATOM 540 HB1 PHE 35 -9.551 30.810 4.145 1.00 36.16 ATOM 541 HB2 PHE 35 -11.019 31.434 3.412 1.00 22.33 ATOM 542 CG PHE 35 -10.106 29.871 2.338 1.00 25.01 ATOM 543 CD1 PHE 35 -8.923 29.156 2.218 1.00 1.42 ATOM 544 HD1 PHE 35 -8.271 29.065 3.076 1.00 11.21 ATOM 545 CD2 PHE 35 -10.932 29.977 1.230 1.00 45.41 ATOM 546 HD2 PHE 35 -11.858 30.530 1.307 1.00 11.43 ATOM 547 CE1 PHE 35 -8.573 28.561 1.022 1.00 13.31 ATOM 548 HE1 PHE 35 -7.647 28.010 0.945 1.00 72.23 ATOM 549 CE2 PHE 35 -10.586 29.381 0.031 1.00 50.21 ATOM 550 HE2 PHE 35 -11.238 29.470 -0.824 1.00 31.41 ATOM 551 CZ PHE 35 -9.405 28.673 -0.074 1.00 20.50 ATOM 552 HZ PHE 35 -9.132 28.209 -1.010 1.00 60.24 ATOM 553 C PHE 35 -12.806 29.675 4.198 1.00 0.44 ATOM 554 O PHE 35 -13.275 28.758 3.525 1.00 72.21 ATOM 555 N PRO 36 -13.569 30.713 4.621 1.00 73.04 ATOM 556 CA PRO 36 -15.033 30.791 4.388 1.00 23.32 ATOM 557 HA PRO 36 -15.536 29.923 4.793 1.00 20.45 ATOM 558 CB PRO 36 -15.448 32.034 5.192 1.00 25.44 ATOM 559 HB1 PRO 36 -15.789 31.735 6.174 1.00 36.16 ATOM 560 HB2 PRO 36 -16.243 32.558 4.678 1.00 4.01 ATOM 561 CG PRO 36 -14.213 32.864 5.277 1.00 30.53 ATOM 562 HG1 PRO 36 -14.244 33.487 6.161 1.00 36.16 ATOM 563 HG2 PRO 36 -14.119 33.476 4.391 1.00 30.04 ATOM 564 CD PRO 36 -13.071 31.889 5.364 1.00 23.14 ATOM 565 HD1 PRO 36 -12.864 31.636 6.395 1.00 36.16 ATOM 566 HD2 PRO 36 -12.189 32.298 4.892 1.00 42.33 ATOM 567 C PRO 36 -15.430 30.950 2.906 1.00 61.34 ATOM 568 O PRO 36 -14.776 31.666 2.141 1.00 71.23 ATOM 569 N THR 37 -16.532 30.299 2.520 1.00 0.23 ATOM 570 HN THR 37 -17.034 29.780 3.190 1.00 36.16 ATOM 571 CA THR 37 -17.020 30.330 1.129 1.00 3.22 ATOM 572 HA THR 37 -16.207 30.025 0.487 1.00 32.25 ATOM 573 CB THR 37 -18.198 29.345 0.913 1.00 64.44 ATOM 574 HB THR 37 -18.510 29.404 -0.120 1.00 54.33 ATOM 575 OG1 THR 37 -19.309 29.708 1.750 1.00 72.42 ATOM 576 HG1 THR 37 -19.253 29.227 2.588 1.00 71.23 ATOM 577 CG2 THR 37 -17.780 27.908 1.211 1.00 50.35 ATOM 578 HG21 THR 37 -18.602 27.241 0.997 1.00 12.14 ATOM 579 HG22 THR 37 -17.510 27.819 2.252 1.00 24.41 ATOM 580 HG23 THR 37 -16.931 27.643 0.596 1.00 24.11 ATOM 581 C THR 37 -17.481 31.733 0.707 1.00 54.14 ATOM 582 O THR 37 -17.179 32.196 -0.395 1.00 3.34 ATOM 583 N ASP 38 -18.205 32.405 1.596 1.00 1.43 ATOM 584 HN ASP 38 -18.391 31.987 2.464 1.00 36.16 ATOM 585 CA ASP 38 -18.741 33.742 1.322 1.00 43.44 ATOM 586 HA ASP 38 -19.414 33.650 0.480 1.00 14.03 ATOM 587 CB ASP 38 -19.543 34.234 2.531 1.00 44.01 ATOM 588 HB1 ASP 38 -20.471 33.680 2.592 1.00 36.16 ATOM 589 HB2 ASP 38 -19.769 35.284 2.404 1.00 43.33 ATOM 590 CG ASP 38 -18.785 34.052 3.833 1.00 71.15 ATOM 591 OD1 ASP 38 -18.207 35.037 4.335 1.00 40.41 ATOM 592 OD2 ASP 38 -18.759 32.919 4.355 1.00 54.34 ATOM 593 C ASP 38 -17.636 34.751 0.948 1.00 12.32 ATOM 594 O ASP 38 -17.818 35.573 0.045 1.00 43.43 ATOM 595 N LYS 39 -16.491 34.688 1.633 1.00 2.14 ATOM 596 HN LYS 39 -16.412 34.048 2.370 1.00 36.16 ATOM 597 CA LYS 39 -15.355 35.565 1.312 1.00 73.32 ATOM 598 HA LYS 39 -15.699 36.587 1.401 1.00 21.02 ATOM 599 CB LYS 39 -14.199 35.347 2.300 1.00 23.15 ATOM 600 HB1 LYS 39 -13.911 34.305 2.282 1.00 36.16 ATOM 601 HB2 LYS 39 -14.537 35.600 3.297 1.00 74.23 ATOM 602 CG LYS 39 -12.967 36.192 1.985 1.00 42.31 ATOM 603 HG1 LYS 39 -13.267 37.230 1.921 1.00 36.16 ATOM 604 HG2 LYS 39 -12.562 35.878 1.033 1.00 74.44 ATOM 605 CD LYS 39 -11.880 36.056 3.048 1.00 72.41 ATOM 606 HD1 LYS 39 -10.992 36.567 2.703 1.00 36.16 ATOM 607 HD2 LYS 39 -11.657 35.007 3.192 1.00 51.25 ATOM 608 CE LYS 39 -12.307 36.656 4.384 1.00 32.42 ATOM 609 HE1 LYS 39 -13.166 36.113 4.755 1.00 36.16 ATOM 610 HE2 LYS 39 -12.577 37.691 4.230 1.00 44.50 ATOM 611 NZ LYS 39 -11.219 36.589 5.397 1.00 1.24 ATOM 612 HZ1 LYS 39 -10.382 37.103 5.059 1.00 51.12 ATOM 613 HZ2 LYS 39 -10.958 35.599 5.572 1.00 34.33 ATOM 614 HZ3 LYS 39 -11.535 37.011 6.294 1.00 75.31 ATOM 615 C LYS 39 -14.870 35.340 -0.130 1.00 55.32 ATOM 616 O LYS 39 -14.671 36.294 -0.882 1.00 52.41 ATOM 617 N ILE 40 -14.714 34.070 -0.507 1.00 52.32 ATOM 618 HN ILE 40 -14.884 33.362 0.150 1.00 36.16 ATOM 619 CA ILE 40 -14.300 33.687 -1.869 1.00 42.00 ATOM 620 HA ILE 40 -13.259 33.954 -1.998 1.00 21.25 ATOM 621 CB ILE 40 -14.447 32.156 -2.072 1.00 43.21 ATOM 622 HB ILE 40 -15.498 31.908 -1.987 1.00 43.52 ATOM 623 CG1 ILE 40 -13.667 31.386 -0.992 1.00 53.34 ATOM 624 HG11 ILE 40 -13.932 31.774 -0.018 1.00 36.16 ATOM 625 HG12 ILE 40 -12.608 31.526 -1.152 1.00 31.34 ATOM 626 CG2 ILE 40 -13.981 31.748 -3.469 1.00 22.44 ATOM 627 HG21 ILE 40 -12.949 32.042 -3.607 1.00 11.22 ATOM 628 HG22 ILE 40 -14.595 32.238 -4.211 1.00 54.41 ATOM 629 HG23 ILE 40 -14.070 30.677 -3.581 1.00 35.11 ATOM 630 CD1 ILE 40 -13.940 29.894 -0.987 1.00 5.41 ATOM 631 HD11 ILE 40 -13.644 29.468 -1.934 1.00 52.53 ATOM 632 HD12 ILE 40 -14.994 29.722 -0.831 1.00 51.14 ATOM 633 HD13 ILE 40 -13.378 29.428 -0.191 1.00 31.50 ATOM 634 C ILE 40 -15.147 34.406 -2.936 1.00 52.12 ATOM 635 O ILE 40 -14.638 34.867 -3.958 1.00 30.15 ATOM 636 N VAL 41 -16.444 34.494 -2.671 1.00 43.42 ATOM 637 HN VAL 41 -16.775 34.121 -1.824 1.00 36.16 ATOM 638 CA VAL 41 -17.400 35.115 -3.590 1.00 61.55 ATOM 639 HA VAL 41 -17.270 34.660 -4.563 1.00 62.11 ATOM 640 CB VAL 41 -18.848 34.840 -3.119 1.00 1.54 ATOM 641 HB VAL 41 -18.979 35.298 -2.147 1.00 11.32 ATOM 642 CG1 VAL 41 -19.867 35.462 -4.073 1.00 44.14 ATOM 643 HG11 VAL 41 -19.746 35.035 -5.059 1.00 10.40 ATOM 644 HG12 VAL 41 -19.713 36.531 -4.124 1.00 13.25 ATOM 645 HG13 VAL 41 -20.867 35.260 -3.717 1.00 75.23 ATOM 646 CG2 VAL 41 -19.081 33.336 -2.967 1.00 30.10 ATOM 647 HG21 VAL 41 -18.943 32.850 -3.922 1.00 3.41 ATOM 648 HG22 VAL 41 -20.087 33.159 -2.616 1.00 3.44 ATOM 649 HG23 VAL 41 -18.377 32.933 -2.253 1.00 20.13 ATOM 650 C VAL 41 -17.190 36.636 -3.719 1.00 11.42 ATOM 651 O VAL 41 -17.397 37.216 -4.788 1.00 11.34 ATOM 652 N ASN 42 -16.774 37.278 -2.630 1.00 2.31 ATOM 653 HN ASN 42 -16.552 36.759 -1.826 1.00 36.16 ATOM 654 CA ASN 42 -16.631 38.740 -2.603 1.00 1.32 ATOM 655 HA ASN 42 -17.300 39.144 -3.352 1.00 22.11 ATOM 656 CB ASN 42 -17.054 39.289 -1.237 1.00 5.24 ATOM 657 HB1 ASN 42 -16.799 40.338 -1.179 1.00 36.16 ATOM 658 HB2 ASN 42 -16.532 38.751 -0.459 1.00 34.55 ATOM 659 CG ASN 42 -18.545 39.146 -1.002 1.00 73.35 ATOM 660 OD1 ASN 42 -19.332 40.008 -1.385 1.00 42.31 ATOM 661 ND2 ASN 42 -18.950 38.063 -0.375 1.00 34.10 ATOM 662 HD21 ASN 42 -18.278 37.409 -0.093 1.00 41.01 ATOM 663 HD22 ASN 42 -19.909 37.959 -0.214 1.00 63.43 ATOM 664 C ASN 42 -15.206 39.206 -2.945 1.00 52.43 ATOM 665 O ASN 42 -14.956 40.408 -3.063 1.00 25.02 ATOM 666 N LEU 43 -14.276 38.267 -3.098 1.00 60.21 ATOM 667 HN LEU 43 -14.514 37.326 -2.949 1.00 36.16 ATOM 668 CA LEU 43 -12.898 38.605 -3.479 1.00 54.34 ATOM 669 HA LEU 43 -12.629 39.513 -2.959 1.00 34.43 ATOM 670 CB LEU 43 -11.930 37.487 -3.054 1.00 33.53 ATOM 671 HB1 LEU 43 -10.958 37.699 -3.483 1.00 36.16 ATOM 672 HB2 LEU 43 -12.288 36.554 -3.469 1.00 4.41 ATOM 673 CG LEU 43 -11.753 37.301 -1.538 1.00 11.30 ATOM 674 HG LEU 43 -12.708 37.044 -1.103 1.00 71.31 ATOM 675 CD1 LEU 43 -10.788 36.155 -1.244 1.00 13.32 ATOM 676 HD11 LEU 43 -10.676 36.043 -0.176 1.00 13.14 ATOM 677 HD12 LEU 43 -9.826 36.366 -1.688 1.00 33.50 ATOM 678 HD13 LEU 43 -11.183 35.238 -1.660 1.00 22.11 ATOM 679 CD2 LEU 43 -11.273 38.595 -0.883 1.00 71.42 ATOM 680 HD21 LEU 43 -11.145 38.435 0.178 1.00 14.23 ATOM 681 HD22 LEU 43 -12.007 39.370 -1.040 1.00 31.42 ATOM 682 HD23 LEU 43 -10.332 38.895 -1.318 1.00 74.32 ATOM 683 C LEU 43 -12.771 38.849 -4.994 1.00 43.22 ATOM 684 O LEU 43 -13.422 38.175 -5.796 1.00 45.11 ATOM 685 N PRO 44 -11.942 39.829 -5.406 1.00 43.15 ATOM 686 CA PRO 44 -11.617 40.041 -6.826 1.00 23.32 ATOM 687 HA PRO 44 -12.508 40.077 -7.439 1.00 63.34 ATOM 688 CB PRO 44 -10.926 41.411 -6.823 1.00 0.22 ATOM 689 HB1 PRO 44 -11.658 42.187 -6.993 1.00 36.16 ATOM 690 HB2 PRO 44 -10.172 41.444 -7.598 1.00 11.44 ATOM 691 CG PRO 44 -10.322 41.523 -5.464 1.00 43.43 ATOM 692 HG1 PRO 44 -10.232 42.563 -5.184 1.00 36.16 ATOM 693 HG2 PRO 44 -9.348 41.048 -5.453 1.00 11.44 ATOM 694 CD PRO 44 -11.266 40.809 -4.530 1.00 22.44 ATOM 695 HD1 PRO 44 -11.979 41.502 -4.110 1.00 36.16 ATOM 696 HD2 PRO 44 -10.715 40.309 -3.743 1.00 73.34 ATOM 697 C PRO 44 -10.672 38.948 -7.355 1.00 12.42 ATOM 698 O PRO 44 -9.920 38.348 -6.582 1.00 60.00 ATOM 699 N VAL 45 -10.698 38.694 -8.667 1.00 2.45 ATOM 700 HN VAL 45 -11.272 39.237 -9.250 1.00 36.16 ATOM 701 CA VAL 45 -9.900 37.608 -9.259 1.00 32.42 ATOM 702 HA VAL 45 -10.299 36.678 -8.875 1.00 64.21 ATOM 703 CB VAL 45 -10.032 37.574 -10.805 1.00 24.15 ATOM 704 HB VAL 45 -11.086 37.528 -11.049 1.00 55.44 ATOM 705 CG1 VAL 45 -9.465 38.840 -11.438 1.00 33.10 ATOM 706 HG11 VAL 45 -9.598 38.799 -12.509 1.00 51.25 ATOM 707 HG12 VAL 45 -8.411 38.918 -11.209 1.00 42.30 ATOM 708 HG13 VAL 45 -9.982 39.705 -11.045 1.00 52.05 ATOM 709 CG2 VAL 45 -9.364 36.326 -11.381 1.00 55.31 ATOM 710 HG21 VAL 45 -9.826 35.442 -10.964 1.00 51.22 ATOM 711 HG22 VAL 45 -8.311 36.331 -11.133 1.00 21.24 ATOM 712 HG23 VAL 45 -9.479 36.318 -12.455 1.00 11.45 ATOM 713 C VAL 45 -8.411 37.689 -8.860 1.00 51.41 ATOM 714 O VAL 45 -7.759 36.662 -8.674 1.00 34.31 ATOM 715 N ASP 46 -7.887 38.908 -8.710 1.00 45.23 ATOM 716 HN ASP 46 -8.435 39.691 -8.922 1.00 36.16 ATOM 717 CA ASP 46 -6.504 39.109 -8.251 1.00 63.45 ATOM 718 HA ASP 46 -5.845 38.668 -8.984 1.00 34.43 ATOM 719 CB ASP 46 -6.198 40.609 -8.148 1.00 34.51 ATOM 720 HB1 ASP 46 -5.212 40.743 -7.724 1.00 36.16 ATOM 721 HB2 ASP 46 -6.926 41.076 -7.500 1.00 10.11 ATOM 722 CG ASP 46 -6.240 41.300 -9.498 1.00 34.21 ATOM 723 OD1 ASP 46 -7.348 41.632 -9.969 1.00 12.20 ATOM 724 OD2 ASP 46 -5.164 41.511 -10.097 1.00 24.02 ATOM 725 C ASP 46 -6.257 38.425 -6.892 1.00 22.32 ATOM 726 O ASP 46 -5.443 37.503 -6.780 1.00 24.22 ATOM 727 N ASP 47 -6.977 38.871 -5.866 1.00 72.14 ATOM 728 HN ASP 47 -7.602 39.612 -6.010 1.00 36.16 ATOM 729 CA ASP 47 -6.859 38.292 -4.524 1.00 10.05 ATOM 730 HA ASP 47 -5.812 38.315 -4.250 1.00 24.24 ATOM 731 CB ASP 47 -7.641 39.142 -3.521 1.00 34.30 ATOM 732 HB1 ASP 47 -7.686 38.628 -2.570 1.00 36.16 ATOM 733 HB2 ASP 47 -8.646 39.296 -3.891 1.00 4.13 ATOM 734 CG ASP 47 -6.989 40.493 -3.313 1.00 50.23 ATOM 735 OD1 ASP 47 -7.116 41.366 -4.196 1.00 32.22 ATOM 736 OD2 ASP 47 -6.327 40.683 -2.270 1.00 25.04 ATOM 737 C ASP 47 -7.334 36.832 -4.486 1.00 64.02 ATOM 738 O ASP 47 -6.911 36.059 -3.627 1.00 72.42 ATOM 739 N PHE 48 -8.211 36.465 -5.417 1.00 61.52 ATOM 740 HN PHE 48 -8.584 37.148 -6.013 1.00 36.16 ATOM 741 CA PHE 48 -8.642 35.071 -5.574 1.00 4.35 ATOM 742 HA PHE 48 -9.025 34.731 -4.621 1.00 15.55 ATOM 743 CB PHE 48 -9.759 34.987 -6.629 1.00 32.21 ATOM 744 HB1 PHE 48 -9.388 35.390 -7.562 1.00 36.16 ATOM 745 HB2 PHE 48 -10.597 35.584 -6.300 1.00 22.30 ATOM 746 CG PHE 48 -10.266 33.590 -6.895 1.00 64.33 ATOM 747 CD1 PHE 48 -9.844 32.885 -8.015 1.00 4.44 ATOM 748 HD1 PHE 48 -9.144 33.345 -8.698 1.00 23.23 ATOM 749 CD2 PHE 48 -11.165 32.985 -6.029 1.00 52.12 ATOM 750 HD2 PHE 48 -11.503 33.523 -5.155 1.00 53.01 ATOM 751 CE1 PHE 48 -10.308 31.609 -8.263 1.00 41.55 ATOM 752 HE1 PHE 48 -9.971 31.073 -9.138 1.00 33.10 ATOM 753 CE2 PHE 48 -11.631 31.707 -6.274 1.00 63.12 ATOM 754 HE2 PHE 48 -12.329 31.246 -5.590 1.00 25.30 ATOM 755 CZ PHE 48 -11.202 31.018 -7.392 1.00 33.51 ATOM 756 HZ PHE 48 -11.565 30.020 -7.584 1.00 73.51 ATOM 757 C PHE 48 -7.450 34.183 -5.975 1.00 50.44 ATOM 758 O PHE 48 -7.221 33.121 -5.391 1.00 55.34 ATOM 759 N ASN 49 -6.690 34.639 -6.972 1.00 11.33 ATOM 760 HN ASN 49 -6.957 35.464 -7.432 1.00 36.16 ATOM 761 CA ASN 49 -5.468 33.951 -7.401 1.00 23.11 ATOM 762 HA ASN 49 -5.738 32.945 -7.692 1.00 42.41 ATOM 763 CB ASN 49 -4.851 34.672 -8.609 1.00 62.34 ATOM 764 HB1 ASN 49 -3.901 34.216 -8.849 1.00 36.16 ATOM 765 HB2 ASN 49 -4.690 35.711 -8.357 1.00 74.44 ATOM 766 CG ASN 49 -5.736 34.612 -9.841 1.00 5.24 ATOM 767 OD1 ASN 49 -6.451 33.640 -10.066 1.00 71.14 ATOM 768 ND2 ASN 49 -5.687 35.643 -10.659 1.00 52.23 ATOM 769 HD21 ASN 49 -5.088 36.387 -10.435 1.00 61.33 ATOM 770 HD22 ASN 49 -6.258 35.627 -11.454 1.00 75.42 ATOM 771 C ASN 49 -4.449 33.881 -6.253 1.00 51.14 ATOM 772 O ASN 49 -3.850 32.832 -5.995 1.00 2.23 ATOM 773 N GLU 50 -4.256 35.007 -5.565 1.00 52.24 ATOM 774 HN GLU 50 -4.718 35.824 -5.854 1.00 36.16 ATOM 775 CA GLU 50 -3.365 35.061 -4.401 1.00 15.22 ATOM 776 HA GLU 50 -2.380 34.758 -4.727 1.00 32.14 ATOM 777 CB GLU 50 -3.284 36.494 -3.849 1.00 71.25 ATOM 778 HB1 GLU 50 -2.666 36.493 -2.961 1.00 36.16 ATOM 779 HB2 GLU 50 -4.279 36.820 -3.580 1.00 63.11 ATOM 780 CG GLU 50 -2.701 37.507 -4.832 1.00 11.41 ATOM 781 HG1 GLU 50 -2.670 38.476 -4.354 1.00 36.16 ATOM 782 HG2 GLU 50 -3.345 37.558 -5.699 1.00 44.25 ATOM 783 CD GLU 50 -1.296 37.144 -5.287 1.00 41.52 ATOM 784 OE1 GLU 50 -1.144 36.603 -6.402 1.00 34.34 ATOM 785 OE2 GLU 50 -0.336 37.391 -4.530 1.00 63.15 ATOM 786 C GLU 50 -3.829 34.097 -3.298 1.00 24.11 ATOM 787 O GLU 50 -3.013 33.427 -2.667 1.00 44.42 ATOM 788 N LEU 51 -5.141 34.023 -3.085 1.00 52.21 ATOM 789 HN LEU 51 -5.741 34.577 -3.629 1.00 36.16 ATOM 790 CA LEU 51 -5.725 33.137 -2.070 1.00 51.20 ATOM 791 HA LEU 51 -5.345 33.441 -1.104 1.00 52.35 ATOM 792 CB LEU 51 -7.256 33.284 -2.075 1.00 31.33 ATOM 793 HB1 LEU 51 -7.621 32.943 -3.033 1.00 36.16 ATOM 794 HB2 LEU 51 -7.493 34.335 -1.976 1.00 12.21 ATOM 795 CG LEU 51 -8.007 32.516 -0.972 1.00 42.34 ATOM 796 HG LEU 51 -7.702 31.479 -0.997 1.00 32.23 ATOM 797 CD1 LEU 51 -7.663 33.072 0.409 1.00 10.15 ATOM 798 HD11 LEU 51 -8.193 32.513 1.168 1.00 50.23 ATOM 799 HD12 LEU 51 -7.953 34.112 0.463 1.00 44.24 ATOM 800 HD13 LEU 51 -6.599 32.987 0.579 1.00 35.43 ATOM 801 CD2 LEU 51 -9.517 32.568 -1.213 1.00 73.24 ATOM 802 HD21 LEU 51 -9.741 32.182 -2.197 1.00 21.24 ATOM 803 HD22 LEU 51 -9.860 33.590 -1.140 1.00 71.13 ATOM 804 HD23 LEU 51 -10.021 31.968 -0.469 1.00 11.45 ATOM 805 C LEU 51 -5.339 31.670 -2.323 1.00 33.03 ATOM 806 O LEU 51 -4.840 30.982 -1.429 1.00 74.22 ATOM 807 N LEU 52 -5.562 31.206 -3.552 1.00 13.01 ATOM 808 HN LEU 52 -5.970 31.805 -4.218 1.00 36.16 ATOM 809 CA LEU 52 -5.231 29.828 -3.942 1.00 54.50 ATOM 810 HA LEU 52 -5.711 29.165 -3.236 1.00 54.44 ATOM 811 CB LEU 52 -5.776 29.532 -5.346 1.00 14.31 ATOM 812 HB1 LEU 52 -5.455 28.539 -5.631 1.00 36.16 ATOM 813 HB2 LEU 52 -5.340 30.242 -6.036 1.00 4.53 ATOM 814 CG LEU 52 -7.306 29.598 -5.481 1.00 34.12 ATOM 815 HG LEU 52 -7.639 30.595 -5.227 1.00 62.52 ATOM 816 CD1 LEU 52 -7.738 29.314 -6.919 1.00 42.31 ATOM 817 HD11 LEU 52 -7.402 28.331 -7.211 1.00 0.23 ATOM 818 HD12 LEU 52 -7.302 30.052 -7.578 1.00 20.22 ATOM 819 HD13 LEU 52 -8.815 29.363 -6.991 1.00 61.35 ATOM 820 CD2 LEU 52 -7.969 28.620 -4.513 1.00 50.25 ATOM 821 HD21 LEU 52 -9.043 28.685 -4.615 1.00 11.13 ATOM 822 HD22 LEU 52 -7.691 28.870 -3.499 1.00 63.01 ATOM 823 HD23 LEU 52 -7.647 27.613 -4.738 1.00 1.14 ATOM 824 C LEU 52 -3.717 29.562 -3.908 1.00 65.43 ATOM 825 O LEU 52 -3.278 28.429 -3.696 1.00 72.23 ATOM 826 N ALA 53 -2.924 30.607 -4.134 1.00 60.43 ATOM 827 HN ALA 53 -3.330 31.475 -4.335 1.00 36.16 ATOM 828 CA ALA 53 -1.462 30.490 -4.110 1.00 53.25 ATOM 829 HA ALA 53 -1.200 29.540 -4.557 1.00 52.43 ATOM 830 CB ALA 53 -0.833 31.591 -4.953 1.00 64.21 ATOM 831 HB1 ALA 53 -1.055 32.553 -4.516 1.00 31.20 ATOM 832 HB2 ALA 53 -1.235 31.552 -5.956 1.00 10.14 ATOM 833 HB3 ALA 53 0.238 31.453 -4.991 1.00 44.42 ATOM 834 C ALA 53 -0.905 30.526 -2.676 1.00 21.34 ATOM 835 O ALA 53 0.123 29.911 -2.387 1.00 72.23 ATOM 836 N ARG 54 -1.580 31.254 -1.783 1.00 10.14 ATOM 837 HN ARG 54 -2.378 31.742 -2.074 1.00 36.16 ATOM 838 CA ARG 54 -1.162 31.338 -0.376 1.00 72.03 ATOM 839 HA ARG 54 -0.122 31.638 -0.361 1.00 45.25 ATOM 840 CB ARG 54 -1.991 32.395 0.372 1.00 21.12 ATOM 841 HB1 ARG 54 -1.832 32.279 1.436 1.00 36.16 ATOM 842 HB2 ARG 54 -3.037 32.235 0.155 1.00 54.24 ATOM 843 CG ARG 54 -1.637 33.829 -0.008 1.00 54.53 ATOM 844 HG1 ARG 54 -1.734 33.942 -1.078 1.00 36.16 ATOM 845 HG2 ARG 54 -0.614 34.022 0.279 1.00 10.23 ATOM 846 CD ARG 54 -2.540 34.851 0.678 1.00 63.10 ATOM 847 HD1 ARG 54 -3.561 34.673 0.367 1.00 36.16 ATOM 848 HD2 ARG 54 -2.241 35.840 0.364 1.00 13.41 ATOM 849 NE ARG 54 -2.470 34.769 2.138 1.00 10.23 ATOM 850 HE ARG 54 -2.660 33.905 2.550 1.00 53.34 ATOM 851 CZ ARG 54 -2.178 35.775 2.924 1.00 31.02 ATOM 852 NH1 ARG 54 -1.914 36.943 2.436 1.00 63.03 ATOM 853 HH11 ARG 54 -1.932 37.093 1.448 1.00 31.20 ATOM 854 HH12 ARG 54 -1.687 37.694 3.052 1.00 11.31 ATOM 855 NH2 ARG 54 -2.158 35.608 4.204 1.00 2.32 ATOM 856 HH21 ARG 54 -2.365 34.711 4.594 1.00 31.35 ATOM 857 HH22 ARG 54 -1.935 36.377 4.801 1.00 51.23 ATOM 858 C ARG 54 -1.287 29.980 0.326 1.00 60.00 ATOM 859 O ARG 54 -0.325 29.481 0.911 1.00 73.12 ATOM 860 N TYR 55 -2.475 29.387 0.261 1.00 33.23 ATOM 861 HN TYR 55 -3.203 29.832 -0.223 1.00 36.16 ATOM 862 CA TYR 55 -2.718 28.080 0.878 1.00 23.31 ATOM 863 HA TYR 55 -2.154 28.044 1.799 1.00 5.33 ATOM 864 CB TYR 55 -4.209 27.923 1.206 1.00 34.35 ATOM 865 HB1 TYR 55 -4.383 26.934 1.608 1.00 36.16 ATOM 866 HB2 TYR 55 -4.787 28.042 0.299 1.00 34.34 ATOM 867 CG TYR 55 -4.709 28.936 2.217 1.00 52.05 ATOM 868 CD1 TYR 55 -4.688 28.656 3.580 1.00 0.10 ATOM 869 HD1 TYR 55 -4.312 27.700 3.913 1.00 24.42 ATOM 870 CD2 TYR 55 -5.198 30.173 1.811 1.00 5.14 ATOM 871 HD2 TYR 55 -5.223 30.410 0.755 1.00 62.12 ATOM 872 CE1 TYR 55 -5.143 29.576 4.506 1.00 5.23 ATOM 873 HE1 TYR 55 -5.117 29.338 5.560 1.00 73.31 ATOM 874 CE2 TYR 55 -5.653 31.097 2.731 1.00 4.22 ATOM 875 HE2 TYR 55 -6.029 32.052 2.394 1.00 33.52 ATOM 876 CZ TYR 55 -5.624 30.795 4.077 1.00 62.34 ATOM 877 OH TYR 55 -6.080 31.715 4.994 1.00 1.24 ATOM 878 HH TYR 55 -5.491 31.724 5.760 1.00 42.21 ATOM 879 C TYR 55 -2.240 26.937 -0.036 1.00 64.02 ATOM 880 O TYR 55 -2.492 26.951 -1.240 1.00 63.04 ATOM 881 N PRO 56 -1.545 25.926 0.528 1.00 53.53 ATOM 882 CA PRO 56 -1.000 24.795 -0.255 1.00 44.35 ATOM 883 HA PRO 56 -0.456 25.143 -1.123 1.00 4.34 ATOM 884 CB PRO 56 -0.023 24.145 0.735 1.00 43.22 ATOM 885 HB1 PRO 56 0.957 24.587 0.622 1.00 36.16 ATOM 886 HB2 PRO 56 0.035 23.079 0.551 1.00 43.25 ATOM 887 CG PRO 56 -0.600 24.439 2.079 1.00 51.31 ATOM 888 HG1 PRO 56 0.182 24.443 2.824 1.00 36.16 ATOM 889 HG2 PRO 56 -1.351 23.701 2.327 1.00 35.10 ATOM 890 CD PRO 56 -1.226 25.805 1.969 1.00 41.34 ATOM 891 HD1 PRO 56 -0.525 26.571 2.273 1.00 36.16 ATOM 892 HD2 PRO 56 -2.124 25.858 2.567 1.00 72.31 ATOM 893 C PRO 56 -2.078 23.788 -0.709 1.00 63.12 ATOM 894 O PRO 56 -1.924 22.574 -0.541 1.00 43.30 ATOM 895 N LEU 57 -3.149 24.291 -1.320 1.00 61.30 ATOM 896 HN LEU 57 -3.199 25.257 -1.472 1.00 36.16 ATOM 897 CA LEU 57 -4.247 23.443 -1.794 1.00 44.30 ATOM 898 HA LEU 57 -4.472 22.723 -1.020 1.00 24.11 ATOM 899 CB LEU 57 -5.500 24.298 -2.063 1.00 61.20 ATOM 900 HB1 LEU 57 -6.310 23.632 -2.326 1.00 36.16 ATOM 901 HB2 LEU 57 -5.301 24.940 -2.915 1.00 43.25 ATOM 902 CG LEU 57 -5.970 25.181 -0.894 1.00 40.32 ATOM 903 HG LEU 57 -5.167 25.846 -0.612 1.00 75.41 ATOM 904 CD1 LEU 57 -7.160 26.041 -1.316 1.00 12.42 ATOM 905 HD11 LEU 57 -7.989 25.404 -1.590 1.00 65.40 ATOM 906 HD12 LEU 57 -6.880 26.650 -2.163 1.00 63.24 ATOM 907 HD13 LEU 57 -7.452 26.680 -0.495 1.00 62.15 ATOM 908 CD2 LEU 57 -6.324 24.328 0.323 1.00 33.15 ATOM 909 HD21 LEU 57 -5.462 23.751 0.621 1.00 33.21 ATOM 910 HD22 LEU 57 -7.137 23.660 0.074 1.00 23.31 ATOM 911 HD23 LEU 57 -6.626 24.970 1.138 1.00 50.14 ATOM 912 C LEU 57 -3.855 22.691 -3.076 1.00 13.50 ATOM 913 O LEU 57 -3.188 23.245 -3.951 1.00 4.11 ATOM 914 N THR 58 -4.262 21.431 -3.187 1.00 23.44 ATOM 915 HN THR 58 -4.711 21.004 -2.425 1.00 36.16 ATOM 916 CA THR 58 -4.061 20.665 -4.426 1.00 63.24 ATOM 917 HA THR 58 -3.072 20.893 -4.805 1.00 70.44 ATOM 918 CB THR 58 -4.155 19.139 -4.190 1.00 71.04 ATOM 919 HB THR 58 -4.030 18.637 -5.139 1.00 61.50 ATOM 920 OG1 THR 58 -5.442 18.798 -3.654 1.00 33.21 ATOM 921 HG1 THR 58 -5.973 18.375 -4.342 1.00 60.03 ATOM 922 CG2 THR 58 -3.058 18.659 -3.244 1.00 44.51 ATOM 923 HG21 THR 58 -2.091 18.828 -3.698 1.00 1.24 ATOM 924 HG22 THR 58 -3.183 17.603 -3.052 1.00 55.42 ATOM 925 HG23 THR 58 -3.119 19.204 -2.313 1.00 32.04 ATOM 926 C THR 58 -5.102 21.070 -5.478 1.00 70.43 ATOM 927 O THR 58 -6.173 21.574 -5.133 1.00 62.20 ATOM 928 N GLU 59 -4.793 20.839 -6.755 1.00 40.11 ATOM 929 HN GLU 59 -3.956 20.371 -6.961 1.00 36.16 ATOM 930 CA GLU 59 -5.668 21.257 -7.868 1.00 52.12 ATOM 931 HA GLU 59 -5.619 22.335 -7.927 1.00 42.23 ATOM 932 CB GLU 59 -5.151 20.672 -9.190 1.00 11.31 ATOM 933 HB1 GLU 59 -5.862 20.893 -9.975 1.00 36.16 ATOM 934 HB2 GLU 59 -5.062 19.600 -9.087 1.00 20.54 ATOM 935 CG GLU 59 -3.793 21.229 -9.606 1.00 45.21 ATOM 936 HG1 GLU 59 -3.106 21.115 -8.778 1.00 36.16 ATOM 937 HG2 GLU 59 -3.904 22.281 -9.831 1.00 4.31 ATOM 938 CD GLU 59 -3.210 20.532 -10.825 1.00 31.21 ATOM 939 OE1 GLU 59 -2.329 19.663 -10.654 1.00 32.22 ATOM 940 OE2 GLU 59 -3.623 20.851 -11.959 1.00 24.05 ATOM 941 C GLU 59 -7.139 20.856 -7.645 1.00 54.30 ATOM 942 O GLU 59 -8.056 21.586 -8.032 1.00 5.15 ATOM 943 N SER 60 -7.357 19.706 -7.010 1.00 25.30 ATOM 944 HN SER 60 -6.590 19.139 -6.780 1.00 36.16 ATOM 945 CA SER 60 -8.713 19.256 -6.656 1.00 1.32 ATOM 946 HA SER 60 -9.286 19.182 -7.570 1.00 52.33 ATOM 947 CB SER 60 -8.659 17.875 -5.990 1.00 44.41 ATOM 948 HB1 SER 60 -8.233 17.161 -6.681 1.00 36.16 ATOM 949 HB2 SER 60 -9.658 17.563 -5.725 1.00 65.32 ATOM 950 OG SER 60 -7.862 17.900 -4.812 1.00 54.40 ATOM 951 HG SER 60 -7.869 17.025 -4.402 1.00 52.24 ATOM 952 C SER 60 -9.406 20.253 -5.712 1.00 3.34 ATOM 953 O SER 60 -10.581 20.586 -5.891 1.00 33.20 ATOM 954 N GLN 61 -8.668 20.731 -4.711 1.00 12.12 ATOM 955 HN GLN 61 -7.746 20.413 -4.610 1.00 36.16 ATOM 956 CA GLN 61 -9.191 21.719 -3.761 1.00 51.51 ATOM 957 HA GLN 61 -10.130 21.340 -3.382 1.00 20.23 ATOM 958 CB GLN 61 -8.221 21.894 -2.583 1.00 25.13 ATOM 959 HB1 GLN 61 -8.627 22.630 -1.900 1.00 36.16 ATOM 960 HB2 GLN 61 -7.273 22.253 -2.962 1.00 51.30 ATOM 961 CG GLN 61 -7.969 20.605 -1.805 1.00 54.31 ATOM 962 HG1 GLN 61 -7.568 19.865 -2.484 1.00 36.16 ATOM 963 HG2 GLN 61 -8.908 20.250 -1.404 1.00 31.44 ATOM 964 CD GLN 61 -6.989 20.793 -0.659 1.00 11.00 ATOM 965 OE1 GLN 61 -5.784 20.652 -0.831 1.00 10.33 ATOM 966 NE2 GLN 61 -7.492 21.091 0.522 1.00 31.11 ATOM 967 HE21 GLN 61 -8.465 21.171 0.608 1.00 32.11 ATOM 968 HE22 GLN 61 -6.869 21.229 1.263 1.00 22.45 ATOM 969 C GLN 61 -9.450 23.069 -4.449 1.00 24.02 ATOM 970 O GLN 61 -10.481 23.704 -4.214 1.00 4.02 ATOM 971 N LEU 62 -8.521 23.504 -5.309 1.00 34.40 ATOM 972 HN LEU 62 -7.689 22.994 -5.413 1.00 36.16 ATOM 973 CA LEU 62 -8.723 24.732 -6.095 1.00 71.34 ATOM 974 HA LEU 62 -8.865 25.544 -5.395 1.00 72.30 ATOM 975 CB LEU 62 -7.506 25.053 -6.987 1.00 10.42 ATOM 976 HB1 LEU 62 -7.806 25.804 -7.705 1.00 36.16 ATOM 977 HB2 LEU 62 -7.241 24.155 -7.531 1.00 42.10 ATOM 978 CG LEU 62 -6.246 25.566 -6.259 1.00 75.32 ATOM 979 HG LEU 62 -6.541 26.292 -5.515 1.00 40.13 ATOM 980 CD1 LEU 62 -5.534 24.443 -5.528 1.00 54.24 ATOM 981 HD11 LEU 62 -5.211 23.695 -6.236 1.00 12.32 ATOM 982 HD12 LEU 62 -6.208 23.994 -4.813 1.00 21.24 ATOM 983 HD13 LEU 62 -4.674 24.840 -5.009 1.00 12.30 ATOM 984 CD2 LEU 62 -5.297 26.258 -7.238 1.00 32.11 ATOM 985 HD21 LEU 62 -5.804 27.090 -7.705 1.00 52.35 ATOM 986 HD22 LEU 62 -4.982 25.556 -7.998 1.00 63.43 ATOM 987 HD23 LEU 62 -4.430 26.620 -6.705 1.00 61.55 ATOM 988 C LEU 62 -9.979 24.621 -6.970 1.00 12.21 ATOM 989 O LEU 62 -10.762 25.566 -7.067 1.00 20.20 ATOM 990 N ALA 63 -10.167 23.459 -7.600 1.00 31.44 ATOM 991 HN ALA 63 -9.491 22.750 -7.502 1.00 36.16 ATOM 992 CA ALA 63 -11.345 23.207 -8.438 1.00 34.01 ATOM 993 HA ALA 63 -11.303 23.888 -9.278 1.00 30.42 ATOM 994 CB ALA 63 -11.310 21.783 -8.984 1.00 23.31 ATOM 995 HB1 ALA 63 -11.364 21.082 -8.164 1.00 54.24 ATOM 996 HB2 ALA 63 -10.391 21.626 -9.530 1.00 63.34 ATOM 997 HB3 ALA 63 -12.151 21.628 -9.646 1.00 63.32 ATOM 998 C ALA 63 -12.651 23.453 -7.667 1.00 33.43 ATOM 999 O ALA 63 -13.634 23.947 -8.228 1.00 24.24 ATOM 1000 N LEU 64 -12.654 23.111 -6.379 1.00 53.31 ATOM 1001 HN LEU 64 -11.867 22.659 -6.002 1.00 36.16 ATOM 1002 CA LEU 64 -13.805 23.385 -5.514 1.00 13.24 ATOM 1003 HA LEU 64 -14.690 23.028 -6.020 1.00 41.23 ATOM 1004 CB LEU 64 -13.668 22.643 -4.176 1.00 62.51 ATOM 1005 HB1 LEU 64 -12.746 22.959 -3.708 1.00 36.16 ATOM 1006 HB2 LEU 64 -13.601 21.583 -4.381 1.00 2.04 ATOM 1007 CG LEU 64 -14.819 22.874 -3.179 1.00 63.33 ATOM 1008 HG LEU 64 -14.932 23.938 -3.017 1.00 10.41 ATOM 1009 CD1 LEU 64 -16.142 22.349 -3.736 1.00 31.13 ATOM 1010 HD11 LEU 64 -16.065 21.285 -3.914 1.00 11.23 ATOM 1011 HD12 LEU 64 -16.368 22.852 -4.665 1.00 62.11 ATOM 1012 HD13 LEU 64 -16.933 22.539 -3.025 1.00 42.23 ATOM 1013 CD2 LEU 64 -14.508 22.229 -1.833 1.00 22.33 ATOM 1014 HD21 LEU 64 -15.322 22.414 -1.147 1.00 52.12 ATOM 1015 HD22 LEU 64 -13.598 22.651 -1.430 1.00 62.24 ATOM 1016 HD23 LEU 64 -14.383 21.164 -1.964 1.00 32.01 ATOM 1017 C LEU 64 -13.958 24.893 -5.257 1.00 13.44 ATOM 1018 O LEU 64 -15.032 25.456 -5.456 1.00 72.32 ATOM 1019 N VAL 65 -12.872 25.537 -4.824 1.00 0.43 ATOM 1020 HN VAL 65 -12.039 25.032 -4.699 1.00 36.16 ATOM 1021 CA VAL 65 -12.885 26.978 -4.523 1.00 22.02 ATOM 1022 HA VAL 65 -13.564 27.132 -3.694 1.00 54.12 ATOM 1023 CB VAL 65 -11.476 27.467 -4.096 1.00 32.35 ATOM 1024 HB VAL 65 -10.803 27.327 -4.931 1.00 44.41 ATOM 1025 CG1 VAL 65 -11.490 28.954 -3.748 1.00 72.21 ATOM 1026 HG11 VAL 65 -11.781 29.526 -4.617 1.00 70.13 ATOM 1027 HG12 VAL 65 -10.503 29.260 -3.430 1.00 71.32 ATOM 1028 HG13 VAL 65 -12.195 29.130 -2.949 1.00 23.45 ATOM 1029 CG2 VAL 65 -10.952 26.639 -2.921 1.00 3.25 ATOM 1030 HG21 VAL 65 -9.966 26.985 -2.647 1.00 74.11 ATOM 1031 HG22 VAL 65 -10.900 25.598 -3.208 1.00 44.04 ATOM 1032 HG23 VAL 65 -11.618 26.746 -2.076 1.00 4.12 ATOM 1033 C VAL 65 -13.377 27.809 -5.724 1.00 43.12 ATOM 1034 O VAL 65 -14.193 28.721 -5.573 1.00 21.15 ATOM 1035 N ARG 66 -12.875 27.480 -6.915 1.00 13.22 ATOM 1036 HN ARG 66 -12.186 26.786 -6.959 1.00 36.16 ATOM 1037 CA ARG 66 -13.316 28.131 -8.158 1.00 13.04 ATOM 1038 HA ARG 66 -13.072 29.181 -8.087 1.00 71.34 ATOM 1039 CB ARG 66 -12.575 27.523 -9.359 1.00 13.11 ATOM 1040 HB1 ARG 66 -12.890 28.034 -10.258 1.00 36.16 ATOM 1041 HB2 ARG 66 -12.840 26.478 -9.440 1.00 63.31 ATOM 1042 CG ARG 66 -11.052 27.627 -9.260 1.00 51.34 ATOM 1043 HG1 ARG 66 -10.743 27.291 -8.281 1.00 36.16 ATOM 1044 HG2 ARG 66 -10.764 28.661 -9.393 1.00 50.43 ATOM 1045 CD ARG 66 -10.352 26.780 -10.321 1.00 32.32 ATOM 1046 HD1 ARG 66 -10.740 25.771 -10.271 1.00 36.16 ATOM 1047 HD2 ARG 66 -9.292 26.764 -10.108 1.00 61.41 ATOM 1048 NE ARG 66 -10.548 27.304 -11.672 1.00 72.21 ATOM 1049 HE ARG 66 -10.205 28.202 -11.857 1.00 21.35 ATOM 1050 CZ ARG 66 -11.117 26.648 -12.649 1.00 35.22 ATOM 1051 NH1 ARG 66 -11.617 25.471 -12.457 1.00 1.01 ATOM 1052 HH11 ARG 66 -11.576 25.051 -11.559 1.00 4.21 ATOM 1053 HH12 ARG 66 -12.039 24.983 -13.221 1.00 51.15 ATOM 1054 NH2 ARG 66 -11.198 27.178 -13.823 1.00 32.31 ATOM 1055 HH21 ARG 66 -10.824 28.089 -13.987 1.00 34.11 ATOM 1056 HH22 ARG 66 -11.633 26.673 -14.567 1.00 23.25 ATOM 1057 C ARG 66 -14.835 27.984 -8.347 1.00 33.45 ATOM 1058 O ARG 66 -15.525 28.932 -8.733 1.00 0.34 ATOM 1059 N ASP 67 -15.345 26.787 -8.060 1.00 21.33 ATOM 1060 HN ASP 67 -14.741 26.070 -7.777 1.00 36.16 ATOM 1061 CA ASP 67 -16.780 26.511 -8.149 1.00 72.24 ATOM 1062 HA ASP 67 -17.114 26.808 -9.135 1.00 11.45 ATOM 1063 CB ASP 67 -17.031 25.012 -7.967 1.00 13.52 ATOM 1064 HB1 ASP 67 -16.767 24.729 -6.956 1.00 36.16 ATOM 1065 HB2 ASP 67 -16.405 24.463 -8.658 1.00 43.32 ATOM 1066 CG ASP 67 -18.480 24.620 -8.216 1.00 11.34 ATOM 1067 OD1 ASP 67 -18.868 24.486 -9.395 1.00 31.14 ATOM 1068 OD2 ASP 67 -19.228 24.421 -7.234 1.00 64.00 ATOM 1069 C ASP 67 -17.559 27.315 -7.094 1.00 4.21 ATOM 1070 O ASP 67 -18.624 27.857 -7.379 1.00 75.23 ATOM 1071 N ILE 68 -17.011 27.391 -5.880 1.00 5.33 ATOM 1072 HN ILE 68 -16.170 26.915 -5.712 1.00 36.16 ATOM 1073 CA ILE 68 -17.623 28.161 -4.788 1.00 32.44 ATOM 1074 HA ILE 68 -18.583 27.713 -4.566 1.00 72.24 ATOM 1075 CB ILE 68 -16.752 28.104 -3.507 1.00 21.42 ATOM 1076 HB ILE 68 -15.760 28.452 -3.761 1.00 15.13 ATOM 1077 CG1 ILE 68 -16.657 26.657 -2.989 1.00 72.30 ATOM 1078 HG11 ILE 68 -16.276 26.025 -3.778 1.00 36.16 ATOM 1079 HG12 ILE 68 -17.642 26.315 -2.708 1.00 14.34 ATOM 1080 CG2 ILE 68 -17.315 29.032 -2.431 1.00 43.42 ATOM 1081 HG21 ILE 68 -18.335 28.751 -2.208 1.00 20.33 ATOM 1082 HG22 ILE 68 -17.293 30.052 -2.785 1.00 23.12 ATOM 1083 HG23 ILE 68 -16.717 28.951 -1.535 1.00 20.35 ATOM 1084 CD1 ILE 68 -15.751 26.491 -1.783 1.00 31.14 ATOM 1085 HD11 ILE 68 -16.145 27.060 -0.954 1.00 33.02 ATOM 1086 HD12 ILE 68 -14.760 26.844 -2.024 1.00 2.14 ATOM 1087 HD13 ILE 68 -15.703 25.446 -1.511 1.00 42.01 ATOM 1088 C ILE 68 -17.843 29.627 -5.189 1.00 32.51 ATOM 1089 O ILE 68 -18.901 30.206 -4.923 1.00 33.23 ATOM 1090 N ARG 69 -16.842 30.219 -5.836 1.00 31.23 ATOM 1091 HN ARG 69 -16.007 29.723 -5.976 1.00 36.16 ATOM 1092 CA ARG 69 -16.954 31.591 -6.337 1.00 52.41 ATOM 1093 HA ARG 69 -17.146 32.231 -5.487 1.00 53.34 ATOM 1094 CB ARG 69 -15.624 32.021 -6.989 1.00 53.21 ATOM 1095 HB1 ARG 69 -15.385 31.321 -7.779 1.00 36.16 ATOM 1096 HB2 ARG 69 -14.845 31.975 -6.241 1.00 41.34 ATOM 1097 CG ARG 69 -15.630 33.435 -7.582 1.00 1.41 ATOM 1098 HG1 ARG 69 -14.659 33.884 -7.422 1.00 36.16 ATOM 1099 HG2 ARG 69 -16.382 34.026 -7.077 1.00 64.35 ATOM 1100 CD ARG 69 -15.930 33.431 -9.080 1.00 4.33 ATOM 1101 HD1 ARG 69 -16.073 34.451 -9.408 1.00 36.16 ATOM 1102 HD2 ARG 69 -16.837 32.869 -9.252 1.00 14.03 ATOM 1103 NE ARG 69 -14.841 32.834 -9.853 1.00 21.04 ATOM 1104 HE ARG 69 -13.938 33.169 -9.690 1.00 55.45 ATOM 1105 CZ ARG 69 -14.993 31.894 -10.747 1.00 4.21 ATOM 1106 NH1 ARG 69 -16.169 31.426 -11.022 1.00 63.33 ATOM 1107 HH11 ARG 69 -16.969 31.780 -10.548 1.00 63.42 ATOM 1108 HH12 ARG 69 -16.271 30.717 -11.715 1.00 53.20 ATOM 1109 NH2 ARG 69 -13.964 31.442 -11.382 1.00 13.34 ATOM 1110 HH21 ARG 69 -13.059 31.812 -11.189 1.00 61.04 ATOM 1111 HH22 ARG 69 -14.073 30.719 -12.060 1.00 44.51 ATOM 1112 C ARG 69 -18.136 31.721 -7.320 1.00 52.32 ATOM 1113 O ARG 69 -18.872 32.708 -7.297 1.00 12.14 ATOM 1114 N ARG 70 -18.314 30.710 -8.175 1.00 32.10 ATOM 1115 HN ARG 70 -17.652 29.984 -8.196 1.00 36.16 ATOM 1116 CA ARG 70 -19.473 30.646 -9.081 1.00 42.43 ATOM 1117 HA ARG 70 -19.516 31.579 -9.625 1.00 44.02 ATOM 1118 CB ARG 70 -19.293 29.489 -10.085 1.00 24.12 ATOM 1119 HB1 ARG 70 -19.002 28.602 -9.539 1.00 36.16 ATOM 1120 HB2 ARG 70 -18.498 29.747 -10.773 1.00 10.13 ATOM 1121 CG ARG 70 -20.540 29.151 -10.909 1.00 43.22 ATOM 1122 HG1 ARG 70 -21.338 28.880 -10.234 1.00 36.16 ATOM 1123 HG2 ARG 70 -20.316 28.309 -11.548 1.00 55.14 ATOM 1124 CD ARG 70 -21.009 30.314 -11.783 1.00 4.31 ATOM 1125 HD1 ARG 70 -20.205 30.604 -12.443 1.00 36.16 ATOM 1126 HD2 ARG 70 -21.272 31.148 -11.147 1.00 34.13 ATOM 1127 NE ARG 70 -22.172 29.944 -12.586 1.00 51.10 ATOM 1128 HE ARG 70 -22.448 29.005 -12.574 1.00 21.14 ATOM 1129 CZ ARG 70 -22.862 30.776 -13.321 1.00 11.44 ATOM 1130 NH1 ARG 70 -22.555 32.033 -13.376 1.00 32.55 ATOM 1131 HH11 ARG 70 -21.781 32.384 -12.854 1.00 41.00 ATOM 1132 HH12 ARG 70 -23.099 32.648 -13.942 1.00 61.41 ATOM 1133 NH2 ARG 70 -23.869 30.342 -14.006 1.00 21.32 ATOM 1134 HH21 ARG 70 -24.117 29.377 -13.969 1.00 15.22 ATOM 1135 HH22 ARG 70 -24.390 30.975 -14.578 1.00 51.04 ATOM 1136 C ARG 70 -20.785 30.472 -8.292 1.00 22.25 ATOM 1137 O ARG 70 -21.794 31.104 -8.601 1.00 3.42 ATOM 1138 N ARG 71 -20.751 29.614 -7.271 1.00 32.22 ATOM 1139 HN ARG 71 -19.913 29.141 -7.085 1.00 36.16 ATOM 1140 CA ARG 71 -21.917 29.345 -6.414 1.00 14.14 ATOM 1141 HA ARG 71 -22.664 28.851 -7.017 1.00 3.42 ATOM 1142 CB ARG 71 -21.510 28.411 -5.263 1.00 13.43 ATOM 1143 HB1 ARG 71 -22.328 28.346 -4.558 1.00 36.16 ATOM 1144 HB2 ARG 71 -20.652 28.835 -4.760 1.00 13.11 ATOM 1145 CG ARG 71 -21.149 26.995 -5.704 1.00 61.53 ATOM 1146 HG1 ARG 71 -20.640 26.494 -4.892 1.00 36.16 ATOM 1147 HG2 ARG 71 -20.490 27.051 -6.560 1.00 42.14 ATOM 1148 CD ARG 71 -22.387 26.190 -6.083 1.00 42.20 ATOM 1149 HD1 ARG 71 -22.082 25.198 -6.383 1.00 36.16 ATOM 1150 HD2 ARG 71 -22.885 26.680 -6.911 1.00 43.22 ATOM 1151 NE ARG 71 -23.315 26.082 -4.958 1.00 41.34 ATOM 1152 HE ARG 71 -22.946 26.189 -4.056 1.00 64.54 ATOM 1153 CZ ARG 71 -24.595 25.871 -5.074 1.00 61.14 ATOM 1154 NH1 ARG 71 -25.137 25.694 -6.236 1.00 33.04 ATOM 1155 HH11 ARG 71 -24.574 25.716 -7.060 1.00 33.35 ATOM 1156 HH12 ARG 71 -26.120 25.534 -6.306 1.00 23.10 ATOM 1157 NH2 ARG 71 -25.332 25.824 -4.014 1.00 34.44 ATOM 1158 HH21 ARG 71 -24.918 25.948 -3.117 1.00 65.42 ATOM 1159 HH22 ARG 71 -26.318 25.671 -4.098 1.00 75.42 ATOM 1160 C ARG 71 -22.519 30.638 -5.839 1.00 70.42 ATOM 1161 O ARG 71 -23.725 30.873 -5.931 1.00 22.04 ATOM 1162 N GLY 72 -21.672 31.464 -5.236 1.00 32.43 ATOM 1163 HN GLY 72 -20.725 31.214 -5.171 1.00 36.16 ATOM 1164 CA GLY 72 -22.130 32.722 -4.658 1.00 11.55 ATOM 1165 HA1 GLY 72 -21.369 33.086 -3.984 1.00 36.16 ATOM 1166 HA2 GLY 72 -23.032 32.538 -4.092 1.00 2.23 ATOM 1167 C GLY 72 -22.417 33.803 -5.698 1.00 63.14 ATOM 1168 O GLY 72 -23.434 34.495 -5.620 1.00 31.51 ATOM 1169 N LYS 73 -21.520 33.956 -6.675 1.00 14.43 ATOM 1170 HN LYS 73 -20.724 33.380 -6.691 1.00 36.16 ATOM 1171 CA LYS 73 -21.692 34.975 -7.720 1.00 11.00 ATOM 1172 HA LYS 73 -21.811 35.928 -7.223 1.00 21.51 ATOM 1173 CB LYS 73 -20.451 35.042 -8.621 1.00 62.30 ATOM 1174 HB1 LYS 73 -20.392 34.129 -9.199 1.00 36.16 ATOM 1175 HB2 LYS 73 -19.574 35.117 -7.995 1.00 65.53 ATOM 1176 CG LYS 73 -20.453 36.227 -9.591 1.00 52.34 ATOM 1177 HG1 LYS 73 -20.538 37.143 -9.021 1.00 36.16 ATOM 1178 HG2 LYS 73 -21.303 36.135 -10.252 1.00 53.13 ATOM 1179 CD LYS 73 -19.180 36.286 -10.438 1.00 31.22 ATOM 1180 HD1 LYS 73 -19.260 37.116 -11.128 1.00 36.16 ATOM 1181 HD2 LYS 73 -19.087 35.364 -10.997 1.00 70.02 ATOM 1182 CE LYS 73 -17.930 36.472 -9.582 1.00 43.40 ATOM 1183 HE1 LYS 73 -17.057 36.394 -10.218 1.00 36.16 ATOM 1184 HE2 LYS 73 -17.898 35.689 -8.839 1.00 30.21 ATOM 1185 NZ LYS 73 -17.907 37.789 -8.890 1.00 31.12 ATOM 1186 HZ1 LYS 73 -17.864 38.560 -9.585 1.00 62.32 ATOM 1187 HZ2 LYS 73 -17.073 37.855 -8.271 1.00 64.53 ATOM 1188 HZ3 LYS 73 -18.762 37.909 -8.309 1.00 43.41 ATOM 1189 C LYS 73 -22.950 34.704 -8.560 1.00 62.45 ATOM 1190 O LYS 73 -23.506 35.615 -9.174 1.00 13.55 ATOM 1191 N ASN 74 -23.393 33.446 -8.575 1.00 41.13 ATOM 1192 HN ASN 74 -22.850 32.749 -8.151 1.00 36.16 ATOM 1193 CA ASN 74 -24.659 33.068 -9.214 1.00 72.44 ATOM 1194 HA ASN 74 -24.563 33.251 -10.276 1.00 33.11 ATOM 1195 CB ASN 74 -24.935 31.576 -8.985 1.00 2.35 ATOM 1196 HB1 ASN 74 -24.899 31.370 -7.924 1.00 36.16 ATOM 1197 HB2 ASN 74 -24.174 30.994 -9.483 1.00 53.05 ATOM 1198 CG ASN 74 -26.292 31.142 -9.512 1.00 70.13 ATOM 1199 OD1 ASN 74 -27.286 31.162 -8.794 1.00 41.41 ATOM 1200 ND2 ASN 74 -26.344 30.742 -10.767 1.00 43.22 ATOM 1201 HD21 ASN 74 -25.518 30.740 -11.289 1.00 23.20 ATOM 1202 HD22 ASN 74 -27.213 30.465 -11.122 1.00 53.23 ATOM 1203 C ASN 74 -25.824 33.910 -8.669 1.00 43.54 ATOM 1204 O ASN 74 -26.669 34.385 -9.428 1.00 1.23 ATOM 1205 N LYS 75 -25.849 34.101 -7.349 1.00 54.52 ATOM 1206 HN LYS 75 -25.153 33.685 -6.795 1.00 36.16 ATOM 1207 CA LYS 75 -26.886 34.912 -6.700 1.00 35.22 ATOM 1208 HA LYS 75 -27.844 34.455 -6.911 1.00 72.01 ATOM 1209 CB LYS 75 -26.662 34.925 -5.178 1.00 41.34 ATOM 1210 HB1 LYS 75 -25.748 35.464 -4.967 1.00 36.16 ATOM 1211 HB2 LYS 75 -26.550 33.906 -4.834 1.00 34.23 ATOM 1212 CG LYS 75 -27.792 35.576 -4.381 1.00 25.22 ATOM 1213 HG1 LYS 75 -27.899 36.603 -4.704 1.00 36.16 ATOM 1214 HG2 LYS 75 -27.536 35.557 -3.331 1.00 73.12 ATOM 1215 CD LYS 75 -29.127 34.854 -4.574 1.00 15.01 ATOM 1216 HD1 LYS 75 -29.401 34.896 -5.619 1.00 36.16 ATOM 1217 HD2 LYS 75 -29.882 35.355 -3.986 1.00 13.14 ATOM 1218 CE LYS 75 -29.062 33.391 -4.138 1.00 53.43 ATOM 1219 HE1 LYS 75 -28.295 32.891 -4.712 1.00 36.16 ATOM 1220 HE2 LYS 75 -30.017 32.927 -4.339 1.00 33.50 ATOM 1221 NZ LYS 75 -28.756 33.244 -2.687 1.00 33.03 ATOM 1222 HZ1 LYS 75 -27.822 33.645 -2.472 1.00 75.20 ATOM 1223 HZ2 LYS 75 -28.753 32.238 -2.420 1.00 12.21 ATOM 1224 HZ3 LYS 75 -29.472 33.736 -2.115 1.00 33.12 ATOM 1225 C LYS 75 -26.884 36.345 -7.258 1.00 20.14 ATOM 1226 O LYS 75 -27.939 36.941 -7.494 1.00 45.32 ATOM 1227 N VAL 76 -25.687 36.878 -7.490 1.00 43.14 ATOM 1228 HN VAL 76 -24.885 36.363 -7.256 1.00 36.16 ATOM 1229 CA VAL 76 -25.530 38.206 -8.085 1.00 72.14 ATOM 1230 HA VAL 76 -26.161 38.894 -7.534 1.00 33.11 ATOM 1231 CB VAL 76 -24.064 38.696 -7.980 1.00 3.44 ATOM 1232 HB VAL 76 -23.450 38.052 -8.597 1.00 45.12 ATOM 1233 CG1 VAL 76 -23.926 40.127 -8.503 1.00 55.33 ATOM 1234 HG11 VAL 76 -22.895 40.444 -8.423 1.00 21.01 ATOM 1235 HG12 VAL 76 -24.550 40.787 -7.918 1.00 74.45 ATOM 1236 HG13 VAL 76 -24.233 40.166 -9.539 1.00 74.14 ATOM 1237 CG2 VAL 76 -23.561 38.591 -6.540 1.00 24.43 ATOM 1238 HG21 VAL 76 -23.606 37.561 -6.215 1.00 75.31 ATOM 1239 HG22 VAL 76 -24.180 39.199 -5.895 1.00 51.22 ATOM 1240 HG23 VAL 76 -22.539 38.939 -6.489 1.00 73.43 ATOM 1241 C VAL 76 -25.964 38.202 -9.562 1.00 74.21 ATOM 1242 O VAL 76 -26.604 39.139 -10.041 1.00 51.31 ATOM 1243 N ALA 77 -25.617 37.135 -10.280 1.00 54.10 ATOM 1244 HN ALA 77 -25.078 36.432 -9.857 1.00 36.16 ATOM 1245 CA ALA 77 -26.017 36.977 -11.683 1.00 63.31 ATOM 1246 HA ALA 77 -25.744 37.882 -12.210 1.00 61.10 ATOM 1247 CB ALA 77 -25.258 35.814 -12.318 1.00 11.14 ATOM 1248 HB1 ALA 77 -24.194 35.983 -12.222 1.00 75.23 ATOM 1249 HB2 ALA 77 -25.517 35.741 -13.366 1.00 15.35 ATOM 1250 HB3 ALA 77 -25.521 34.892 -11.817 1.00 61.11 ATOM 1251 C ALA 77 -27.536 36.768 -11.818 1.00 45.03 ATOM 1252 O ALA 77 -28.115 36.996 -12.882 1.00 61.34 ATOM 1253 N ALA 78 -28.171 36.321 -10.736 1.00 44.23 ATOM 1254 HN ALA 78 -27.643 36.095 -9.938 1.00 36.16 ATOM 1255 CA ALA 78 -29.626 36.131 -10.701 1.00 64.24 ATOM 1256 HA ALA 78 -29.925 35.667 -11.631 1.00 1.40 ATOM 1257 CB ALA 78 -29.998 35.186 -9.563 1.00 22.42 ATOM 1258 HB1 ALA 78 -29.696 35.621 -8.620 1.00 62.41 ATOM 1259 HB2 ALA 78 -29.494 34.242 -9.701 1.00 65.21 ATOM 1260 HB3 ALA 78 -31.067 35.025 -9.559 1.00 74.40 ATOM 1261 C ALA 78 -30.372 37.470 -10.552 1.00 72.30 ATOM 1262 O ALA 78 -31.374 37.717 -11.227 1.00 44.42 ATOM 1263 N GLN 79 -29.886 38.331 -9.660 1.00 20.43 ATOM 1264 HN GLN 79 -29.090 38.081 -9.142 1.00 36.16 ATOM 1265 CA GLN 79 -30.517 39.639 -9.424 1.00 33.52 ATOM 1266 HA GLN 79 -31.585 39.478 -9.360 1.00 14.54 ATOM 1267 CB GLN 79 -30.036 40.240 -8.093 1.00 71.25 ATOM 1268 HB1 GLN 79 -30.381 39.611 -7.283 1.00 36.16 ATOM 1269 HB2 GLN 79 -30.467 41.224 -7.977 1.00 21.31 ATOM 1270 CG GLN 79 -28.524 40.367 -7.986 1.00 4.40 ATOM 1271 HG1 GLN 79 -28.152 40.864 -8.873 1.00 36.16 ATOM 1272 HG2 GLN 79 -28.098 39.377 -7.929 1.00 32.25 ATOM 1273 CD GLN 79 -28.084 41.152 -6.766 1.00 42.34 ATOM 1274 OE1 GLN 79 -27.894 40.597 -5.690 1.00 24.44 ATOM 1275 NE2 GLN 79 -27.910 42.448 -6.927 1.00 1.23 ATOM 1276 HE21 GLN 79 -28.068 42.834 -7.814 1.00 5.23 ATOM 1277 HE22 GLN 79 -27.625 42.971 -6.149 1.00 15.00 ATOM 1278 C GLN 79 -30.245 40.628 -10.575 1.00 24.21 ATOM 1279 O GLN 79 -31.144 41.350 -11.005 1.00 22.45 ATOM 1280 N ASN 80 -29.013 40.644 -11.078 1.00 23.40 ATOM 1281 HN ASN 80 -28.352 40.006 -10.736 1.00 36.16 ATOM 1282 CA ASN 80 -28.608 41.596 -12.125 1.00 51.52 ATOM 1283 HA ASN 80 -29.293 42.432 -12.097 1.00 13.44 ATOM 1284 CB ASN 80 -27.192 42.108 -11.825 1.00 42.43 ATOM 1285 HB1 ASN 80 -26.876 42.768 -12.621 1.00 36.16 ATOM 1286 HB2 ASN 80 -26.515 41.267 -11.773 1.00 54.21 ATOM 1287 CG ASN 80 -27.115 42.869 -10.512 1.00 44.21 ATOM 1288 OD1 ASN 80 -28.080 43.489 -10.078 1.00 50.32 ATOM 1289 ND2 ASN 80 -25.971 42.822 -9.860 1.00 13.21 ATOM 1290 HD21 ASN 80 -25.236 42.304 -10.249 1.00 13.50 ATOM 1291 HD22 ASN 80 -25.902 43.319 -9.017 1.00 41.13 ATOM 1292 C ASN 80 -28.663 40.970 -13.532 1.00 1.42 ATOM 1293 O ASN 80 -27.940 41.390 -14.436 1.00 64.24 ATOM 1294 N TYR 81 -29.541 39.984 -13.716 1.00 51.20 ATOM 1295 HN TYR 81 -30.112 39.716 -12.970 1.00 36.16 ATOM 1296 CA TYR 81 -29.684 39.293 -15.004 1.00 23.21 ATOM 1297 HA TYR 81 -28.692 39.064 -15.369 1.00 61.01 ATOM 1298 CB TYR 81 -30.451 37.979 -14.803 1.00 53.02 ATOM 1299 HB1 TYR 81 -31.436 38.204 -14.417 1.00 36.16 ATOM 1300 HB2 TYR 81 -29.924 37.370 -14.085 1.00 60.43 ATOM 1301 CG TYR 81 -30.622 37.157 -16.067 1.00 45.53 ATOM 1302 CD1 TYR 81 -29.559 36.432 -16.599 1.00 5.20 ATOM 1303 HD1 TYR 81 -28.597 36.471 -16.109 1.00 23.23 ATOM 1304 CD2 TYR 81 -31.850 37.092 -16.718 1.00 41.11 ATOM 1305 HD2 TYR 81 -32.685 37.651 -16.322 1.00 73.40 ATOM 1306 CE1 TYR 81 -29.717 35.670 -17.739 1.00 21.10 ATOM 1307 HE1 TYR 81 -28.880 35.114 -18.138 1.00 62.44 ATOM 1308 CE2 TYR 81 -32.011 36.335 -17.860 1.00 3.01 ATOM 1309 HE2 TYR 81 -32.972 36.299 -18.352 1.00 51.22 ATOM 1310 CZ TYR 81 -30.943 35.624 -18.364 1.00 62.14 ATOM 1311 OH TYR 81 -31.101 34.855 -19.494 1.00 32.54 ATOM 1312 HH TYR 81 -30.660 34.002 -19.357 1.00 31.12 ATOM 1313 C TYR 81 -30.403 40.173 -16.044 1.00 51.20 ATOM 1314 O TYR 81 -29.829 40.535 -17.072 1.00 3.13 ATOM 1315 N ARG 82 -31.661 40.508 -15.769 1.00 21.12 ATOM 1316 HN ARG 82 -32.065 40.190 -14.934 1.00 36.16 ATOM 1317 CA ARG 82 -32.461 41.344 -16.675 1.00 31.11 ATOM 1318 HA ARG 82 -32.192 41.090 -17.692 1.00 71.14 ATOM 1319 CB ARG 82 -33.954 41.055 -16.457 1.00 4.32 ATOM 1320 HB1 ARG 82 -34.276 41.558 -15.554 1.00 36.16 ATOM 1321 HB2 ARG 82 -34.086 39.989 -16.327 1.00 25.11 ATOM 1322 CG ARG 82 -34.855 41.505 -17.602 1.00 54.33 ATOM 1323 HG1 ARG 82 -34.545 41.006 -18.510 1.00 36.16 ATOM 1324 HG2 ARG 82 -34.759 42.575 -17.727 1.00 30.24 ATOM 1325 CD ARG 82 -36.318 41.168 -17.323 1.00 61.04 ATOM 1326 HD1 ARG 82 -36.692 41.847 -16.570 1.00 36.16 ATOM 1327 HD2 ARG 82 -36.378 40.154 -16.951 1.00 11.11 ATOM 1328 NE ARG 82 -37.151 41.279 -18.516 1.00 13.04 ATOM 1329 HE ARG 82 -36.762 41.706 -19.305 1.00 32.21 ATOM 1330 CZ ARG 82 -38.369 40.822 -18.593 1.00 45.21 ATOM 1331 NH1 ARG 82 -38.924 40.250 -17.573 1.00 54.31 ATOM 1332 HH11 ARG 82 -38.420 40.153 -16.716 1.00 3.52 ATOM 1333 HH12 ARG 82 -39.857 39.906 -17.648 1.00 52.00 ATOM 1334 NH2 ARG 82 -39.031 40.924 -19.696 1.00 42.20 ATOM 1335 HH21 ARG 82 -38.613 41.350 -20.489 1.00 20.11 ATOM 1336 HH22 ARG 82 -39.964 40.568 -19.748 1.00 61.13 ATOM 1337 C ARG 82 -32.156 42.832 -16.430 1.00 22.44 ATOM 1338 O ARG 82 -32.606 43.410 -15.437 1.00 3.11 ATOM 1339 N LYS 83 -31.387 43.450 -17.327 1.00 54.13 ATOM 1340 HN LYS 83 -31.181 43.001 -18.175 1.00 36.16 ATOM 1341 CA LYS 83 -30.840 44.788 -17.067 1.00 4.33 ATOM 1342 HA LYS 83 -31.270 45.135 -16.135 1.00 43.03 ATOM 1343 CB LYS 83 -29.312 44.680 -16.869 1.00 44.44 ATOM 1344 HB1 LYS 83 -28.879 44.260 -17.767 1.00 36.16 ATOM 1345 HB2 LYS 83 -29.121 44.004 -16.047 1.00 5.41 ATOM 1346 CG LYS 83 -28.604 46.007 -16.564 1.00 64.24 ATOM 1347 HG1 LYS 83 -27.866 45.838 -15.791 1.00 36.16 ATOM 1348 HG2 LYS 83 -29.334 46.721 -16.211 1.00 51.13 ATOM 1349 CD LYS 83 -27.906 46.590 -17.793 1.00 31.22 ATOM 1350 HD1 LYS 83 -27.475 47.546 -17.530 1.00 36.16 ATOM 1351 HD2 LYS 83 -28.636 46.730 -18.578 1.00 63.33 ATOM 1352 CE LYS 83 -26.799 45.673 -18.306 1.00 70.00 ATOM 1353 HE1 LYS 83 -27.221 44.704 -18.533 1.00 36.16 ATOM 1354 HE2 LYS 83 -26.049 45.565 -17.535 1.00 63.33 ATOM 1355 NZ LYS 83 -26.155 46.216 -19.529 1.00 15.41 ATOM 1356 HZ1 LYS 83 -25.354 45.618 -19.806 1.00 13.54 ATOM 1357 HZ2 LYS 83 -25.811 47.180 -19.357 1.00 70.55 ATOM 1358 HZ3 LYS 83 -26.839 46.240 -20.313 1.00 1.44 ATOM 1359 C LYS 83 -31.192 45.826 -18.157 1.00 1.51 ATOM 1360 O LYS 83 -30.524 45.924 -19.186 1.00 20.34 ATOM 1361 N ARG 84 -32.290 46.548 -17.918 1.00 52.14 ATOM 1362 HN ARG 84 -32.923 46.207 -17.254 1.00 36.16 ATOM 1363 CA ARG 84 -32.620 47.821 -18.600 1.00 5.13 ATOM 1364 HA ARG 84 -33.629 48.069 -18.310 1.00 3.45 ATOM 1365 CB ARG 84 -31.697 48.937 -18.081 1.00 21.15 ATOM 1366 HB1 ARG 84 -32.030 49.882 -18.487 1.00 36.16 ATOM 1367 HB2 ARG 84 -30.692 48.745 -18.428 1.00 5.40 ATOM 1368 CG ARG 84 -31.657 49.061 -16.557 1.00 13.53 ATOM 1369 HG1 ARG 84 -30.868 49.752 -16.289 1.00 36.16 ATOM 1370 HG2 ARG 84 -31.435 48.091 -16.135 1.00 52.10 ATOM 1371 CD ARG 84 -32.974 49.562 -15.960 1.00 60.42 ATOM 1372 HD1 ARG 84 -33.201 50.527 -16.394 1.00 36.16 ATOM 1373 HD2 ARG 84 -32.844 49.677 -14.895 1.00 50.45 ATOM 1374 NE ARG 84 -34.103 48.659 -16.199 1.00 54.00 ATOM 1375 HE ARG 84 -34.714 48.887 -16.931 1.00 23.45 ATOM 1376 CZ ARG 84 -34.373 47.597 -15.476 1.00 22.25 ATOM 1377 NH1 ARG 84 -33.581 47.222 -14.515 1.00 23.25 ATOM 1378 HH11 ARG 84 -32.752 47.743 -14.313 1.00 13.20 ATOM 1379 HH12 ARG 84 -33.809 46.417 -13.967 1.00 55.44 ATOM 1380 NH2 ARG 84 -35.429 46.897 -15.736 1.00 54.32 ATOM 1381 HH21 ARG 84 -36.036 47.173 -16.479 1.00 41.45 ATOM 1382 HH22 ARG 84 -35.640 46.085 -15.192 1.00 11.32 ATOM 1383 C ARG 84 -32.570 47.784 -20.147 1.00 53.40 ATOM 1384 O ARG 84 -31.500 47.729 -20.755 1.00 21.32 ATOM 1385 N LYS 85 -33.747 47.864 -20.770 1.00 63.21 ATOM 1386 HN LYS 85 -34.566 47.793 -20.236 1.00 36.16 ATOM 1387 CA LYS 85 -33.869 48.045 -22.225 1.00 51.24 ATOM 1388 HA LYS 85 -32.872 48.107 -22.641 1.00 24.13 ATOM 1389 CB LYS 85 -34.607 46.850 -22.856 1.00 21.34 ATOM 1390 HB1 LYS 85 -34.783 47.066 -23.901 1.00 36.16 ATOM 1391 HB2 LYS 85 -35.560 46.738 -22.361 1.00 32.40 ATOM 1392 CG LYS 85 -33.867 45.507 -22.764 1.00 32.54 ATOM 1393 HG1 LYS 85 -34.589 44.709 -22.875 1.00 36.16 ATOM 1394 HG2 LYS 85 -33.405 45.433 -21.790 1.00 62.01 ATOM 1395 CD LYS 85 -32.780 45.339 -23.837 1.00 43.42 ATOM 1396 HD1 LYS 85 -33.206 45.580 -24.801 1.00 36.16 ATOM 1397 HD2 LYS 85 -32.454 44.309 -23.841 1.00 54.34 ATOM 1398 CE LYS 85 -31.564 46.233 -23.599 1.00 20.03 ATOM 1399 HE1 LYS 85 -31.157 46.015 -22.621 1.00 36.16 ATOM 1400 HE2 LYS 85 -31.878 47.266 -23.633 1.00 25.50 ATOM 1401 NZ LYS 85 -30.503 46.027 -24.618 1.00 42.31 ATOM 1402 HZ1 LYS 85 -30.207 45.031 -24.631 1.00 22.33 ATOM 1403 HZ2 LYS 85 -29.677 46.617 -24.395 1.00 53.33 ATOM 1404 HZ3 LYS 85 -30.854 46.285 -25.562 1.00 60.32 ATOM 1405 C LYS 85 -34.614 49.357 -22.539 1.00 51.14 ATOM 1406 O LYS 85 -35.422 49.827 -21.733 1.00 0.21 ATOM 1407 N LEU 86 -34.341 49.953 -23.703 1.00 14.43 ATOM 1408 HN LEU 86 -33.741 49.508 -24.338 1.00 36.16 ATOM 1409 CA LEU 86 -34.932 51.255 -24.064 1.00 73.11 ATOM 1410 HA LEU 86 -35.953 51.263 -23.707 1.00 53.24 ATOM 1411 CB LEU 86 -34.159 52.402 -23.382 1.00 24.41 ATOM 1412 HB1 LEU 86 -34.091 52.176 -22.327 1.00 36.16 ATOM 1413 HB2 LEU 86 -34.738 53.308 -23.496 1.00 12.11 ATOM 1414 CG LEU 86 -32.732 52.676 -23.908 1.00 55.23 ATOM 1415 HG LEU 86 -32.774 52.821 -24.979 1.00 32.34 ATOM 1416 CD1 LEU 86 -32.171 53.957 -23.293 1.00 23.54 ATOM 1417 HD11 LEU 86 -32.830 54.783 -23.522 1.00 35.51 ATOM 1418 HD12 LEU 86 -31.191 54.158 -23.704 1.00 0.33 ATOM 1419 HD13 LEU 86 -32.096 53.845 -22.221 1.00 75.34 ATOM 1420 CD2 LEU 86 -31.799 51.495 -23.632 1.00 11.11 ATOM 1421 HD21 LEU 86 -31.735 51.323 -22.567 1.00 42.34 ATOM 1422 HD22 LEU 86 -30.814 51.712 -24.023 1.00 35.02 ATOM 1423 HD23 LEU 86 -32.188 50.610 -24.116 1.00 45.20 ATOM 1424 C LEU 86 -34.945 51.481 -25.587 1.00 70.13 ATOM 1425 O LEU 86 -34.633 50.574 -26.364 1.00 31.02 ATOM 1426 N GLU 87 -35.316 52.697 -26.007 1.00 12.03 ATOM 1427 HN GLU 87 -35.619 53.359 -25.348 1.00 36.16 ATOM 1428 CA GLU 87 -35.280 53.073 -27.426 1.00 72.23 ATOM 1429 HA GLU 87 -35.848 52.335 -27.979 1.00 11.41 ATOM 1430 CB GLU 87 -35.925 54.455 -27.631 1.00 23.24 ATOM 1431 HB1 GLU 87 -35.401 55.176 -27.018 1.00 36.16 ATOM 1432 HB2 GLU 87 -36.956 54.407 -27.309 1.00 0.21 ATOM 1433 CG GLU 87 -35.900 54.952 -29.076 1.00 21.13 ATOM 1434 HG1 GLU 87 -36.503 54.289 -29.683 1.00 36.16 ATOM 1435 HG2 GLU 87 -34.879 54.932 -29.434 1.00 3.01 ATOM 1436 CD GLU 87 -36.437 56.370 -29.219 1.00 72.33 ATOM 1437 OE1 GLU 87 -37.640 56.534 -29.516 1.00 14.14 ATOM 1438 OE2 GLU 87 -35.658 57.327 -29.023 1.00 64.15 ATOM 1439 C GLU 87 -33.833 53.077 -27.948 1.00 31.23 ATOM 1440 O GLU 87 -33.087 54.041 -27.751 1.00 42.53 ATOM 1441 N THR 88 -33.439 51.980 -28.586 1.00 21.24 ATOM 1442 HN THR 88 -34.085 51.256 -28.723 1.00 36.16 ATOM 1443 CA THR 88 -32.068 51.814 -29.083 1.00 32.33 ATOM 1444 HA THR 88 -31.407 52.390 -28.447 1.00 23.32 ATOM 1445 CB THR 88 -31.627 50.332 -29.019 1.00 12.54 ATOM 1446 HB THR 88 -30.625 50.250 -29.423 1.00 62.51 ATOM 1447 OG1 THR 88 -32.517 49.520 -29.807 1.00 2.44 ATOM 1448 HG1 THR 88 -32.582 49.887 -30.697 1.00 13.14 ATOM 1449 CG2 THR 88 -31.616 49.824 -27.579 1.00 42.55 ATOM 1450 HG21 THR 88 -32.612 49.890 -27.167 1.00 33.02 ATOM 1451 HG22 THR 88 -30.941 50.427 -26.988 1.00 33.32 ATOM 1452 HG23 THR 88 -31.286 48.795 -27.560 1.00 45.14 ATOM 1453 C THR 88 -31.918 52.299 -30.529 1.00 44.12 ATOM 1454 O THR 88 -32.758 52.008 -31.383 1.00 54.03 ATOM 1455 N ILE 89 -30.843 53.032 -30.797 1.00 22.33 ATOM 1456 HN ILE 89 -30.242 53.281 -30.061 1.00 36.16 ATOM 1457 CA ILE 89 -30.526 53.479 -32.155 1.00 21.43 ATOM 1458 HA ILE 89 -31.425 53.896 -32.591 1.00 41.15 ATOM 1459 CB ILE 89 -29.437 54.579 -32.135 1.00 4.21 ATOM 1460 HB ILE 89 -28.561 54.172 -31.649 1.00 52.12 ATOM 1461 CG1 ILE 89 -29.929 55.796 -31.330 1.00 1.33 ATOM 1462 HG11 ILE 89 -30.190 55.475 -30.330 1.00 36.16 ATOM 1463 HG12 ILE 89 -30.806 56.206 -31.808 1.00 1.23 ATOM 1464 CG2 ILE 89 -29.043 54.982 -33.558 1.00 1.12 ATOM 1465 HG21 ILE 89 -29.907 55.367 -34.080 1.00 12.01 ATOM 1466 HG22 ILE 89 -28.661 54.121 -34.085 1.00 1.31 ATOM 1467 HG23 ILE 89 -28.280 55.745 -33.520 1.00 71.33 ATOM 1468 CD1 ILE 89 -28.908 56.908 -31.207 1.00 73.42 ATOM 1469 HD11 ILE 89 -28.660 57.279 -32.191 1.00 25.02 ATOM 1470 HD12 ILE 89 -28.017 56.528 -30.730 1.00 43.15 ATOM 1471 HD13 ILE 89 -29.319 57.710 -30.614 1.00 55.22 ATOM 1472 C ILE 89 -30.047 52.300 -33.019 1.00 21.50 ATOM 1473 O ILE 89 -29.001 51.705 -32.750 1.00 54.01 ATOM 1474 N VAL 90 -30.822 51.957 -34.048 1.00 42.10 ATOM 1475 HN VAL 90 -31.634 52.480 -34.227 1.00 36.16 ATOM 1476 CA VAL 90 -30.496 50.822 -34.922 1.00 44.12 ATOM 1477 HA VAL 90 -29.523 50.446 -34.634 1.00 72.20 ATOM 1478 CB VAL 90 -31.525 49.675 -34.748 1.00 54.34 ATOM 1479 HB VAL 90 -31.239 48.864 -35.406 1.00 53.52 ATOM 1480 CG1 VAL 90 -31.508 49.146 -33.313 1.00 23.44 ATOM 1481 HG11 VAL 90 -32.215 48.335 -33.218 1.00 2.41 ATOM 1482 HG12 VAL 90 -31.778 49.941 -32.630 1.00 13.22 ATOM 1483 HG13 VAL 90 -30.516 48.787 -33.072 1.00 13.53 ATOM 1484 CG2 VAL 90 -32.929 50.139 -35.147 1.00 23.24 ATOM 1485 HG21 VAL 90 -33.630 49.331 -35.002 1.00 71.13 ATOM 1486 HG22 VAL 90 -32.930 50.432 -36.188 1.00 24.22 ATOM 1487 HG23 VAL 90 -33.224 50.982 -34.536 1.00 74.34 ATOM 1488 C VAL 90 -30.442 51.237 -36.404 1.00 43.31 ATOM 1489 O VAL 90 -30.703 52.390 -36.749 1.00 13.43 ATOM 1490 N GLN 91 -30.092 50.288 -37.274 1.00 51.04 ATOM 1491 HN GLN 91 -29.862 49.397 -36.935 1.00 36.16 ATOM 1492 HA GLN 91 -30.672 51.376 -38.946 1.00 21.43 ATOM 1493 CB GLN 91 -28.585 50.894 -39.128 1.00 63.24 ATOM 1494 HB1 GLN 91 -27.956 50.028 -38.976 1.00 36.16 ATOM 1495 HB2 GLN 91 -28.236 51.693 -38.488 1.00 45.14 ATOM 1496 CG GLN 91 -28.439 51.348 -40.581 1.00 43.31 ATOM 1497 HG1 GLN 91 -29.012 52.253 -40.723 1.00 36.16 ATOM 1498 HG2 GLN 91 -28.830 50.574 -41.228 1.00 62.22 ATOM 1499 CD GLN 91 -26.996 51.622 -40.977 1.00 43.04 ATOM 1500 OE1 GLN 91 -26.167 51.990 -40.153 1.00 44.43 ATOM 1501 NE2 GLN 91 -26.690 51.461 -42.247 1.00 61.21 ATOM 1502 HE21 GLN 91 -27.398 51.176 -42.862 1.00 54.43 ATOM 1503 HE22 GLN 91 -25.766 51.641 -42.527 1.00 25.10 ATOM 1504 CA GLN 91 -30.025 50.536 -38.724 1.00 35.03 ATOM 1505 C GLN 91 -30.520 49.309 -39.520 1.00 51.32 ATOM 1506 OT1 GLN 91 -29.757 48.325 -39.647 1.00 36.16 ATOM 1507 OT2 GLN 91 -31.674 49.326 -40.002 1.00 36.16 ATOM 1508 OH2 TIP3 1 -31.296 19.003 -2.047 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -31.979 19.314 -1.411 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -31.080 19.807 -2.579 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -32.074 14.146 -3.807 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -32.902 13.888 -4.218 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -32.110 15.133 -3.790 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -30.681 30.342 1.332 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -31.370 30.428 0.639 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -30.749 29.408 1.626 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -31.915 16.848 -3.746 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -31.556 17.276 -4.554 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -31.822 17.532 -3.058 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -29.822 21.011 -0.067 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -30.378 20.469 -0.652 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -30.432 21.287 0.656 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -32.196 24.981 -1.165 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -32.187 25.139 -0.202 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -31.489 24.325 -1.305 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -30.697 22.405 -5.697 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -30.482 23.268 -5.287 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -31.280 22.635 -6.444 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -28.546 27.366 -7.528 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -29.449 27.402 -7.892 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -28.251 26.445 -7.702 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -27.666 26.696 -2.817 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -27.128 27.234 -2.202 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -27.844 27.299 -3.570 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -32.364 19.309 2.820 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -31.504 18.824 2.805 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -32.906 18.810 3.439 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -30.726 18.250 -5.749 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -30.074 17.854 -6.360 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -30.752 19.179 -6.001 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -30.746 21.428 -3.145 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -30.481 22.272 -2.743 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -30.765 21.619 -4.109 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -32.635 19.991 0.105 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -32.990 20.871 0.281 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -32.582 19.576 0.987 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -28.953 14.210 -0.283 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -28.297 14.834 0.055 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -28.805 13.402 0.245 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -31.462 25.184 1.509 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -31.671 24.675 2.316 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -30.561 24.880 1.264 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -28.214 22.393 2.974 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -28.528 22.136 3.845 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -28.053 21.539 2.516 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -31.379 21.839 2.117 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -31.808 21.069 2.538 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -31.458 22.550 2.780 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -28.872 24.406 1.200 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -28.542 25.188 1.693 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -28.686 23.647 1.803 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -30.190 17.357 -0.148 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -30.524 17.922 -0.879 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -30.345 16.454 -0.457 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -26.706 17.117 8.770 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -26.925 16.227 9.142 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -26.562 16.947 7.827 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -30.058 13.061 6.865 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -29.922 12.604 6.029 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -29.634 13.944 6.727 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -29.945 18.197 2.418 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -30.095 17.886 1.493 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -29.304 18.923 2.326 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -34.633 45.051 -34.939 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -34.072 45.285 -34.172 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -34.011 45.034 -35.692 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -35.999 45.730 -42.616 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -36.466 44.961 -42.993 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -35.735 46.251 -43.403 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -33.858 44.203 -41.597 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -34.573 44.741 -41.989 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -34.319 43.488 -41.147 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -36.240 44.071 -44.808 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -36.401 43.613 -45.635 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -35.873 44.939 -45.080 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -37.922 44.102 -28.954 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -38.016 44.729 -29.700 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -37.104 43.610 -29.157 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -33.827 33.529 -16.922 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -32.993 33.334 -17.403 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -34.289 34.161 -17.492 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -36.135 40.807 -21.329 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -35.397 40.637 -21.944 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -36.299 39.929 -20.903 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -35.345 42.908 -29.224 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -35.311 43.471 -30.038 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -34.563 42.348 -29.297 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -32.714 40.157 -20.685 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -32.937 39.212 -20.553 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -32.127 40.156 -21.451 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -33.484 34.822 -22.551 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -32.622 35.199 -22.825 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -34.134 35.360 -23.015 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -37.844 31.331 -21.059 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -38.442 32.067 -21.335 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -38.408 30.550 -21.086 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -40.353 38.635 -21.474 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -39.783 38.039 -20.941 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -41.259 38.428 -21.174 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -43.026 38.495 -20.793 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -43.960 38.329 -20.589 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -43.058 39.080 -21.578 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -45.742 39.386 -21.097 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -46.609 38.966 -21.096 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -45.822 40.107 -20.431 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -43.733 40.409 -22.671 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -44.570 40.115 -22.246 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -43.986 40.609 -23.582 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -33.018 33.513 -14.352 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -33.350 33.506 -15.281 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -33.231 34.420 -14.031 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -31.225 36.278 -23.166 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -31.804 37.059 -23.317 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -30.634 36.262 -23.949 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -39.809 33.098 -21.793 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -40.240 33.715 -21.164 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -40.250 33.268 -22.629 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -36.613 38.349 -20.245 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -36.022 37.660 -19.889 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -37.493 37.922 -20.255 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -41.944 42.297 -21.815 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -42.620 41.610 -22.013 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -41.092 41.855 -22.010 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -37.769 42.726 -22.190 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -37.038 42.110 -21.940 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -38.527 42.129 -22.381 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -31.259 46.107 -30.203 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -30.974 45.797 -31.088 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -32.206 46.326 -30.318 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -33.373 31.230 -19.632 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -33.953 30.922 -20.370 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -33.362 32.203 -19.731 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -34.731 40.521 -23.954 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -33.984 40.612 -24.585 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -35.426 41.077 -24.330 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -45.138 41.236 -16.762 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -45.945 41.244 -16.240 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -45.448 41.298 -17.686 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -41.099 34.972 -20.212 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -41.784 35.645 -20.309 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -41.164 34.696 -19.272 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -37.591 31.507 -18.233 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -36.698 31.279 -17.900 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -37.493 31.506 -19.203 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -41.230 34.334 -17.530 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -40.765 33.459 -17.471 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -42.046 34.198 -17.037 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -34.925 31.059 -17.361 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -34.396 30.907 -18.171 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -34.673 31.961 -17.080 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -29.701 44.638 -21.307 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -29.956 45.310 -20.638 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -30.417 43.972 -21.258 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -27.634 37.666 -24.222 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -28.246 37.048 -24.677 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -27.073 37.082 -23.671 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -32.532 40.852 -25.583 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -32.623 41.616 -26.197 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -31.857 40.283 -26.011 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -35.163 30.793 -21.574 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -35.117 30.905 -22.526 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -36.089 31.027 -21.349 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -28.107 27.986 -17.759 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -29.050 27.896 -17.571 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -27.879 27.160 -18.249 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -33.795 45.341 -26.999 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -34.449 44.670 -26.697 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -34.171 46.193 -26.703 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -43.419 42.371 -19.464 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -42.774 42.487 -20.188 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -42.868 42.302 -18.657 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -40.129 41.277 -25.296 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -40.272 40.876 -26.162 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -40.939 41.820 -25.144 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -39.703 40.933 -22.605 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -39.827 40.843 -23.577 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -39.850 40.014 -22.257 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -35.176 44.329 -31.519 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -35.866 44.578 -32.160 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -34.367 44.739 -31.872 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -40.598 41.227 -7.011 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -39.869 40.957 -6.440 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -41.390 40.977 -6.522 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -35.428 39.177 -8.876 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -35.560 38.608 -9.664 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -35.487 38.550 -8.116 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -27.791 28.383 -5.046 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -27.909 29.330 -5.253 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -28.017 27.928 -5.884 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -31.824 30.578 -5.064 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -31.439 30.583 -5.969 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -32.382 31.385 -5.035 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -36.465 35.593 -17.084 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -36.450 35.305 -16.166 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -37.412 35.785 -17.260 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -35.052 37.369 -6.831 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -34.891 36.406 -6.848 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -35.063 37.590 -5.875 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -35.156 38.629 -13.363 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -35.317 38.320 -12.445 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -34.307 39.114 -13.305 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -35.350 37.306 -10.914 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -34.701 36.884 -10.313 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -35.786 36.550 -11.360 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -35.965 40.077 -2.681 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -35.124 40.573 -2.635 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -36.455 40.369 -1.908 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -30.544 32.241 -14.262 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -31.455 32.600 -14.274 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -29.988 33.020 -14.029 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -33.907 28.886 -1.647 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -34.433 28.702 -0.861 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -33.332 29.642 -1.379 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -34.070 31.462 -12.917 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -33.694 32.253 -13.366 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -34.970 31.407 -13.250 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -37.510 39.376 -14.838 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -36.639 39.130 -14.460 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -37.890 39.997 -14.173 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -30.387 38.399 0.485 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -29.632 38.038 0.984 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -30.481 39.297 0.818 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -30.420 30.799 -2.687 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -30.864 30.560 -3.529 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -29.526 30.409 -2.767 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -33.916 36.001 -13.674 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -34.133 36.935 -13.833 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -34.674 35.668 -13.150 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -38.279 35.062 -13.889 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -38.626 35.930 -14.193 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -39.001 34.447 -14.056 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -33.433 32.906 -4.905 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -33.506 33.663 -5.521 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -34.339 32.528 -4.884 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -40.087 31.903 -17.274 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -39.152 31.865 -17.592 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -40.321 30.982 -17.128 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -32.464 29.870 -16.044 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -33.418 30.040 -16.088 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -32.299 29.669 -15.105 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -33.591 36.086 -2.522 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -32.857 36.705 -2.348 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -34.202 36.597 -3.089 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -40.474 39.912 -11.096 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -40.471 39.815 -10.136 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -40.894 40.797 -11.248 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -35.094 36.211 -19.251 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -35.633 36.025 -18.442 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -34.678 35.350 -19.462 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -36.100 35.034 -12.270 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -36.199 34.191 -11.814 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -36.881 35.075 -12.874 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -41.440 39.792 -18.854 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -41.959 40.379 -18.258 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -42.117 39.327 -19.383 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -39.148 36.154 -17.325 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -39.894 35.518 -17.372 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -39.289 36.626 -16.473 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -39.364 37.386 -14.888 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -38.672 38.089 -14.918 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -40.092 37.793 -14.364 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -35.008 29.276 -4.180 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -34.692 29.116 -3.267 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -34.406 28.745 -4.735 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -35.396 32.394 -7.508 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -35.675 32.146 -6.599 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -35.332 31.555 -7.971 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -33.478 40.600 -7.635 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -34.216 40.101 -8.048 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -33.319 41.343 -8.250 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -38.951 36.847 -19.968 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -39.384 36.040 -20.295 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -38.922 36.722 -18.994 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -34.745 38.089 -4.154 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -34.053 38.695 -4.489 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -35.357 38.677 -3.659 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -33.096 33.414 -2.159 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -33.172 33.128 -3.091 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -33.487 34.320 -2.158 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -40.577 40.922 -14.922 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -39.941 41.221 -14.239 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -40.978 40.121 -14.534 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -32.849 39.875 -5.125 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -33.207 40.157 -6.003 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -31.903 39.776 -5.278 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -27.988 37.958 1.975 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -27.157 37.989 2.489 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -27.732 38.305 1.090 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -31.304 37.611 -1.951 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -31.076 37.864 -1.023 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -30.570 37.961 -2.476 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -33.347 36.508 -9.229 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -33.391 37.193 -8.541 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -32.704 36.851 -9.869 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -33.324 40.883 -2.641 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -32.923 40.156 -2.148 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -33.163 40.650 -3.583 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -29.738 34.770 -13.689 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -29.101 35.458 -13.433 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -30.565 35.249 -13.820 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -34.095 34.732 -7.068 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -33.780 35.095 -7.915 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -34.625 33.941 -7.327 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -30.810 34.863 -1.651 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -31.648 34.354 -1.658 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -31.095 35.795 -1.720 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -31.779 29.995 -13.182 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -32.607 30.452 -12.919 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -31.210 30.713 -13.527 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -33.628 27.988 -9.819 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -34.539 27.655 -9.670 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -33.710 28.568 -10.581 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -35.912 31.698 -4.913 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -35.606 30.795 -4.641 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -36.745 31.814 -4.443 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -32.381 30.993 -0.832 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -32.746 31.876 -1.051 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -31.622 30.890 -1.454 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -30.863 27.703 2.436 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -31.200 26.949 1.908 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -31.219 27.541 3.333 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -32.823 28.028 -5.389 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -32.425 28.920 -5.300 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -32.585 27.575 -4.545 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -32.629 39.664 -12.947 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -32.621 40.607 -12.664 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -32.313 39.175 -12.167 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -32.370 26.968 -2.971 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -32.883 27.624 -2.458 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -32.294 26.198 -2.362 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -36.237 27.235 -9.410 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -36.445 27.220 -8.469 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -36.985 26.793 -9.826 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -45.949 41.557 -19.436 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -46.496 42.337 -19.576 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -45.019 41.896 -19.514 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -28.496 30.044 3.657 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -28.399 29.771 4.605 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -29.436 30.312 3.584 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -30.851 31.425 3.997 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -30.443 32.289 4.235 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -31.021 31.494 3.042 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -29.574 33.691 4.834 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -29.270 34.467 4.322 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -29.679 34.027 5.729 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -26.004 28.124 -1.073 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -26.312 28.324 -0.164 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -25.098 27.747 -0.943 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -31.526 26.739 4.998 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -31.514 26.258 5.834 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -31.502 27.691 5.269 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -37.755 53.141 -43.027 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -38.275 52.474 -42.531 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -36.824 52.838 -42.926 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -38.203 57.404 -41.348 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -38.430 56.869 -42.142 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -38.617 58.256 -41.510 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -39.182 51.825 -39.134 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -38.934 52.763 -39.268 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -38.397 51.430 -38.694 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -35.823 50.077 -40.551 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -35.939 50.633 -41.349 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -34.974 50.390 -40.166 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -34.163 55.871 -42.475 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -33.316 56.335 -42.616 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -33.936 54.936 -42.556 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -33.557 51.188 -39.594 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -33.372 51.865 -40.281 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -32.817 50.535 -39.694 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -30.295 54.452 -38.367 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -30.406 53.715 -37.726 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -31.117 54.426 -38.904 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -34.613 52.261 -37.316 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -34.124 51.858 -38.068 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -34.090 53.065 -37.095 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -30.844 57.141 -37.942 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -30.484 56.231 -37.985 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -30.073 57.697 -37.713 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -36.325 52.543 -35.200 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -36.678 53.439 -35.365 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -35.603 52.444 -35.861 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -40.845 48.348 -35.270 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -40.758 49.086 -35.914 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -41.688 47.944 -35.490 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -37.777 50.535 -44.336 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -38.111 50.352 -43.443 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -37.732 51.502 -44.375 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -39.090 51.059 -41.800 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -39.073 51.221 -40.831 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -39.973 50.710 -41.965 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -35.368 51.832 -42.696 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -34.649 52.362 -42.280 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -34.893 51.236 -43.316 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -38.679 55.692 -43.407 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -38.350 54.774 -43.268 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -38.573 55.838 -44.350 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -38.323 54.409 -39.886 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -37.421 54.801 -39.889 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -38.662 54.598 -40.773 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -36.847 50.822 -38.137 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -36.547 50.424 -38.983 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -36.091 51.382 -37.854 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -33.767 50.088 -44.109 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -33.486 49.529 -43.350 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -33.049 49.974 -44.763 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -33.504 54.718 -36.834 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -34.333 55.195 -36.628 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -32.831 55.147 -36.256 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -32.781 54.740 -39.464 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -32.756 55.681 -39.734 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -33.135 54.762 -38.546 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -39.723 55.090 -37.526 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -40.596 55.365 -37.821 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -39.229 54.926 -38.357 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -39.095 51.735 -35.122 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -38.410 52.405 -35.279 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -38.601 50.890 -35.121 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -33.491 53.278 -33.647 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -33.439 52.855 -32.769 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -34.171 53.967 -33.542 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -38.352 47.907 -34.127 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -39.271 47.930 -34.478 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -37.856 48.517 -34.720 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -37.163 49.861 -35.590 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -36.628 50.618 -35.282 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -37.115 49.918 -36.567 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -32.441 57.431 -40.082 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -33.293 57.619 -39.639 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -31.775 57.508 -39.359 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -33.925 48.859 -47.699 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -34.290 48.868 -48.587 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -34.701 49.014 -47.118 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -33.277 53.123 -41.537 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -32.496 53.305 -42.118 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -33.154 53.740 -40.773 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -36.080 55.963 -40.518 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -35.429 55.936 -41.258 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -36.789 56.564 -40.845 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -35.811 49.250 -45.719 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -36.660 49.623 -45.388 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -35.135 49.638 -45.123 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -33.168 45.949 -32.815 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -33.384 46.577 -32.089 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -32.405 46.352 -33.264 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -34.981 47.411 -40.686 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -35.495 46.801 -41.261 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -35.539 48.214 -40.627 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -35.249 46.624 -45.109 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -34.276 46.703 -45.006 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -35.529 47.509 -45.431 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -32.633 46.678 -44.276 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -32.643 47.261 -43.480 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -32.315 45.830 -43.941 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -36.850 45.667 -33.390 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -37.355 46.413 -33.779 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -36.193 45.436 -34.085 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -34.673 57.238 -38.552 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -35.102 56.830 -37.778 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -35.184 56.890 -39.315 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -39.593 57.027 -26.177 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -39.369 57.620 -26.926 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -39.809 56.174 -26.606 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -35.150 57.645 -26.319 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -35.489 57.502 -27.238 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -35.474 56.869 -25.814 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -42.338 59.353 -22.467 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -43.029 59.809 -22.953 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -41.669 59.128 -23.151 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -38.978 49.401 -26.348 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -38.952 49.817 -27.225 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -38.427 48.598 -26.452 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -34.539 47.955 -26.078 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -35.490 47.739 -26.176 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -34.473 48.878 -26.398 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -39.864 54.390 -26.954 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -40.523 53.717 -26.663 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -39.149 54.319 -26.296 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -35.722 55.511 -24.581 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -35.512 55.555 -23.628 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -36.678 55.286 -24.606 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -40.579 50.479 -37.044 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -40.323 50.908 -37.882 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -40.181 51.047 -36.354 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -39.170 54.298 -29.613 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -38.640 55.131 -29.573 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -39.617 54.261 -28.740 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -40.366 58.848 -24.284 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -40.051 59.647 -24.737 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -40.181 58.123 -24.924 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -35.968 61.857 -23.712 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -35.508 62.608 -24.148 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -36.909 62.118 -23.714 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -38.726 54.175 -32.314 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -38.961 54.152 -31.357 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -37.967 53.553 -32.389 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -35.776 59.505 -30.665 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -35.856 58.742 -30.039 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -35.093 60.062 -30.271 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -38.059 46.046 -30.983 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -38.826 46.548 -31.288 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -37.572 45.825 -31.810 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -27.598 60.018 -18.221 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -27.103 60.788 -17.937 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -28.488 60.372 -18.444 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -34.215 63.444 -25.137 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -33.788 64.032 -25.764 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -33.556 62.731 -24.989 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -35.760 61.122 -36.259 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -35.958 60.173 -36.161 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -36.451 61.566 -35.721 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -32.937 56.971 -32.791 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -32.949 57.003 -31.811 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -33.730 56.442 -33.022 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -36.912 44.850 -20.675 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -37.201 44.172 -21.325 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -37.171 45.709 -21.090 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -36.717 52.305 -32.483 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -36.398 52.441 -33.401 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -36.774 51.321 -32.396 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -40.260 49.428 -31.499 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -40.770 48.946 -32.157 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -40.284 50.362 -31.815 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -37.662 52.019 -29.902 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -37.233 52.254 -30.750 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -38.215 52.797 -29.689 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -35.881 47.002 -18.987 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -36.562 47.483 -18.472 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -36.318 46.175 -19.251 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -37.154 47.263 -26.537 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -36.900 47.275 -27.491 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -37.581 46.374 -26.416 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -38.307 54.684 -24.559 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -38.985 55.374 -24.472 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -38.274 54.264 -23.670 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -41.493 52.458 -25.976 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -41.305 51.664 -25.437 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -42.416 52.359 -26.228 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -41.071 50.012 -24.686 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -41.444 49.124 -24.660 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -40.270 49.917 -25.253 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -41.178 57.990 -31.703 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -40.288 57.614 -31.887 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -41.781 57.262 -31.875 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -37.116 49.618 -32.208 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -37.492 49.372 -31.350 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -37.513 48.981 -32.834 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -37.706 53.903 -21.965 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -38.367 54.055 -21.249 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -36.984 54.534 -21.765 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -38.352 49.447 -29.506 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -39.151 49.379 -30.079 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -38.074 50.391 -29.595 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -39.477 54.294 -19.887 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -39.909 53.402 -19.873 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -40.166 54.894 -19.576 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -36.020 58.187 -21.809 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -36.955 58.493 -21.872 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -35.501 58.944 -22.138 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -33.059 57.889 -21.743 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -33.400 58.692 -22.197 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -33.813 57.288 -21.733 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -37.942 59.683 -25.763 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -37.605 58.825 -25.483 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -38.226 59.535 -26.692 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -38.763 58.686 -28.209 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -39.174 59.220 -28.924 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -38.263 57.984 -28.693 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -38.606 59.082 -22.152 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -39.183 59.004 -21.358 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -39.203 58.873 -22.898 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -35.145 55.603 -33.686 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -35.272 55.627 -34.652 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -35.672 56.364 -33.357 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -31.812 56.211 -35.213 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -32.139 56.466 -34.327 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -30.869 56.429 -35.189 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -39.988 59.978 -30.323 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -40.605 60.716 -30.354 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -40.450 59.258 -30.818 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -34.374 44.184 -19.499 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -35.196 44.415 -19.964 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -33.723 44.070 -20.202 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -35.386 43.197 -26.437 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -35.506 43.041 -27.398 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -36.245 42.948 -26.044 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -36.342 57.960 -32.883 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -37.279 57.738 -32.693 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -36.079 58.541 -32.136 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -42.295 42.764 -24.533 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -42.194 42.816 -23.562 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -42.691 43.608 -24.776 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -37.693 48.315 -23.990 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -37.408 47.747 -24.730 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -38.164 49.044 -24.422 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -38.710 56.871 -31.982 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -38.326 56.869 -31.068 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -38.718 55.922 -32.237 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -30.219 60.651 -18.636 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -30.948 60.937 -19.200 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -30.526 59.803 -18.262 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -35.863 56.012 -36.366 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -36.740 55.618 -36.159 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -35.949 56.957 -36.083 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -35.620 58.501 -35.473 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -34.660 58.671 -35.561 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -35.787 58.541 -34.506 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -38.075 54.704 -35.406 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -38.575 54.721 -34.573 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -38.764 54.823 -36.107 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -35.485 55.555 -21.731 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -34.941 55.363 -20.949 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -35.754 56.501 -21.615 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -40.314 51.885 -32.675 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -39.998 52.784 -32.492 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -40.062 51.732 -33.608 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -37.657 47.342 -21.468 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -37.236 48.090 -21.028 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -37.778 47.649 -22.397 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -41.850 50.734 -22.053 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -41.479 50.589 -22.944 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -42.778 50.928 -22.211 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -40.680 58.837 -20.389 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -41.363 58.995 -21.083 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -41.099 59.132 -19.577 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -35.965 52.142 -20.601 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -36.693 52.576 -21.092 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -35.797 51.314 -21.105 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -40.629 51.841 -19.811 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -40.555 51.113 -19.161 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -41.058 51.425 -20.589 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -39.488 44.806 -19.515 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -38.570 44.823 -19.843 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -40.009 44.548 -20.281 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -40.365 49.496 -18.267 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -40.126 48.970 -19.038 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -40.688 48.833 -17.616 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -39.719 45.172 -16.837 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -40.112 46.057 -16.738 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -39.651 45.047 -17.809 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -36.499 44.525 -14.495 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -37.292 44.090 -14.884 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -36.162 43.867 -13.847 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -31.469 59.317 -26.462 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -30.645 58.889 -26.168 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -32.014 58.577 -26.785 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -32.211 55.633 -18.546 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -32.959 55.128 -18.921 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -31.639 54.945 -18.136 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -33.026 59.660 -19.595 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -32.953 59.007 -20.321 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -33.822 60.162 -19.807 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -33.941 53.782 -19.675 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -34.738 53.282 -19.965 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -33.201 53.154 -19.822 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -33.731 47.298 -30.492 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -33.332 48.099 -30.079 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -34.595 47.206 -30.047 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -33.068 57.386 -29.936 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -32.626 57.096 -29.118 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -34.027 57.381 -29.703 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -38.721 61.440 -23.794 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -38.666 60.826 -23.043 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -38.377 60.925 -24.551 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -34.160 60.145 -22.731 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -34.918 60.740 -22.955 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -33.403 60.544 -23.208 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -38.248 44.842 -26.380 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -38.227 44.564 -27.327 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -38.078 44.018 -25.886 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -31.312 46.280 -27.324 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -32.243 45.966 -27.314 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -31.107 46.379 -28.272 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -37.680 42.560 -25.001 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -37.662 42.772 -24.047 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -38.497 42.028 -25.113 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -36.477 47.443 -29.193 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -36.887 46.800 -29.810 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -37.053 48.236 -29.263 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -37.833 60.953 -31.869 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -37.041 60.548 -31.467 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -38.573 60.603 -31.338 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -32.044 59.893 -30.569 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -32.411 60.375 -29.792 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -32.341 58.968 -30.433 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -42.373 41.533 -17.011 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -43.299 41.489 -16.683 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -41.825 41.435 -16.203 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -30.262 46.762 -3.459 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -30.987 46.162 -3.248 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -29.520 46.449 -2.899 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -36.682 46.412 -12.471 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -36.892 45.777 -13.184 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -35.761 46.200 -12.233 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -35.495 42.812 -12.610 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -35.703 42.440 -11.720 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -34.606 42.449 -12.815 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -37.924 54.455 -17.571 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -37.196 53.808 -17.620 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -38.399 54.349 -18.418 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -37.432 54.941 -14.951 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -38.309 54.853 -14.572 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -37.585 54.893 -15.923 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -37.055 48.647 -17.220 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -36.646 49.447 -17.620 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -37.765 49.007 -16.646 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -35.548 50.677 -18.258 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -35.774 51.046 -19.133 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -35.455 51.472 -17.686 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -38.909 50.266 -15.995 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -39.569 50.566 -15.328 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -39.422 50.206 -16.826 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -38.436 48.479 -12.473 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -37.783 47.743 -12.568 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -38.591 48.533 -11.526 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -41.184 47.518 -16.508 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -40.949 47.679 -15.559 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -42.038 47.075 -16.465 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -40.439 43.024 -9.082 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -39.697 43.563 -8.793 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -40.560 42.373 -8.356 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -40.833 47.959 -13.879 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -39.973 48.138 -13.449 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -41.443 48.594 -13.467 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -42.885 49.759 -13.158 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -43.522 49.694 -13.878 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -43.433 49.660 -12.345 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -35.357 53.194 -17.270 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -34.747 53.644 -17.879 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -35.116 53.547 -16.383 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -34.084 45.262 -12.537 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -33.179 45.015 -12.249 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -34.577 44.417 -12.521 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -41.345 42.410 -11.565 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -41.490 43.183 -12.120 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -41.088 42.785 -10.690 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -38.708 43.140 -15.429 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -39.056 43.937 -15.899 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -39.367 42.455 -15.610 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -40.717 51.179 -14.125 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -40.648 51.956 -13.565 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -41.493 50.700 -13.774 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -44.743 49.524 -11.167 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -45.092 48.758 -10.698 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -45.215 50.272 -10.786 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -30.623 53.487 -17.989 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -31.050 52.817 -18.551 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -29.671 53.332 -18.114 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -34.851 54.117 -14.735 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -35.736 54.556 -14.732 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -34.941 53.394 -14.077 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -35.023 51.991 -12.953 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -35.706 51.428 -13.399 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -35.356 52.096 -12.056 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -32.165 54.319 -14.328 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -31.840 55.176 -14.619 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -33.132 54.356 -14.502 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -37.090 50.496 -13.880 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -37.589 50.549 -14.718 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -37.565 49.813 -13.365 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -32.842 42.430 -13.019 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -32.744 42.810 -13.922 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -32.239 42.975 -12.467 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -31.785 43.227 -3.098 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -32.421 42.568 -2.764 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -31.116 43.302 -2.378 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -33.099 42.526 -9.556 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -32.435 42.228 -10.211 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -32.857 43.462 -9.378 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -30.409 45.861 -7.332 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -30.295 45.209 -6.614 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -30.169 46.718 -6.915 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -38.588 40.932 -12.914 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -37.962 41.558 -12.520 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -39.091 40.583 -12.151 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -35.652 41.666 -10.167 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -34.801 42.021 -9.837 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -35.758 40.819 -9.690 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -41.292 38.675 -13.416 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -40.933 39.060 -12.583 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -42.208 38.466 -13.202 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -33.077 61.318 -36.522 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -32.987 60.350 -36.642 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -34.051 61.453 -36.418 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -32.889 63.966 -37.528 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -32.835 63.807 -38.470 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -32.937 63.076 -37.135 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -32.662 61.260 -24.843 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -31.951 60.792 -25.318 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -33.489 60.927 -25.264 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -34.867 60.346 -26.085 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -35.015 59.376 -26.158 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -35.659 60.673 -25.623 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -37.671 61.942 -34.491 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -37.682 61.567 -33.583 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -38.315 62.651 -34.461 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -11.497 -14.612 17.866 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -10.756 -14.385 18.433 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -12.248 -14.709 18.480 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -13.529 -14.570 19.802 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -14.247 -14.190 19.258 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -13.136 -13.788 20.251 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -8.061 -23.490 6.902 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -8.260 -23.638 5.978 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -7.330 -22.873 6.895 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -16.913 -13.603 20.474 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -17.780 -13.211 20.210 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -16.311 -13.366 19.737 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -25.597 -14.683 24.723 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -24.805 -14.652 24.145 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -26.291 -14.276 24.197 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -10.820 -14.066 15.258 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -9.873 -14.293 15.323 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -11.185 -14.314 16.137 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -12.722 -17.109 23.121 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -12.957 -16.646 23.955 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -12.987 -18.040 23.287 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -13.865 -17.209 20.652 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -13.721 -16.338 20.218 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -13.383 -17.131 21.506 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -22.148 -19.793 29.774 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -22.830 -19.958 30.465 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -22.539 -20.165 28.964 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -19.843 -15.768 29.780 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -19.875 -16.640 30.249 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -20.755 -15.454 29.812 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -19.600 -19.340 33.484 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -19.475 -20.292 33.357 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -19.550 -19.223 34.455 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -15.797 -22.233 30.289 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -14.955 -22.512 30.708 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -16.306 -21.829 31.030 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -15.934 -24.374 28.580 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -15.941 -25.088 29.228 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -15.961 -23.555 29.124 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -23.458 -23.259 29.813 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -23.012 -23.992 29.321 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -22.737 -22.807 30.271 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -20.192 -18.848 38.400 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -20.406 -19.365 39.181 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -20.752 -18.044 38.485 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -13.384 -19.708 26.464 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -13.594 -19.651 25.503 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -12.434 -19.873 26.488 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -13.821 -18.140 32.010 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -13.647 -18.823 31.327 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -14.264 -17.418 31.515 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -20.683 -22.389 23.649 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -21.037 -23.233 23.298 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -21.405 -22.045 24.213 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -12.881 -24.203 38.422 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -12.225 -24.901 38.530 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -13.622 -24.486 38.970 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -13.946 -19.512 23.808 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -14.900 -19.328 23.629 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -13.795 -20.387 23.397 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -18.226 -21.587 34.747 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -18.329 -20.777 35.296 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -18.281 -22.308 35.379 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -23.652 -21.252 27.898 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -24.540 -20.875 27.813 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -23.761 -21.985 28.543 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -24.885 -16.462 26.654 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -25.208 -15.842 25.956 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -24.677 -15.890 27.399 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -24.440 -24.261 32.227 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -24.258 -23.982 31.307 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -25.038 -25.008 32.135 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -17.501 -13.756 32.843 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -17.302 -12.896 33.235 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -18.023 -14.222 33.534 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -21.804 -24.849 23.019 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -21.170 -25.586 23.207 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -22.305 -25.159 22.255 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -14.165 -17.770 36.041 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -13.817 -18.345 36.764 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -15.029 -17.461 36.381 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -21.901 -16.777 38.883 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -22.621 -16.466 38.324 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -22.044 -16.332 39.725 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -22.224 -10.073 27.257 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -23.179 -10.157 27.196 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -21.944 -9.856 26.344 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -17.648 -15.491 22.357 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -17.305 -16.355 22.047 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -17.683 -14.948 21.545 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -18.942 -14.662 24.697 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -18.685 -15.141 25.512 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -18.520 -15.174 23.972 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -16.600 -19.163 23.228 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -16.666 -18.634 22.406 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -17.508 -19.517 23.357 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -18.011 -22.444 24.682 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -18.783 -22.900 24.300 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -18.122 -21.517 24.396 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -20.151 -25.915 26.317 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -20.849 -25.249 26.162 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -19.356 -25.380 26.556 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -24.027 -20.540 31.586 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -23.577 -21.029 32.313 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -24.961 -20.708 31.734 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -22.178 -25.100 28.294 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -21.472 -25.752 28.179 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -22.428 -24.857 27.380 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -21.055 -19.154 25.296 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -20.481 -19.339 26.061 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -21.648 -19.930 25.247 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -16.752 -21.036 32.513 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -16.194 -20.372 32.963 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -17.318 -21.395 33.231 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -18.716 -19.261 36.144 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -19.316 -19.157 36.921 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -17.940 -18.704 36.369 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -20.237 -26.928 23.787 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -20.159 -26.685 24.739 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -19.950 -27.844 23.754 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -19.121 -20.130 23.564 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -19.740 -19.528 24.023 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -19.671 -20.912 23.343 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -16.713 -17.569 37.156 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -16.667 -17.738 38.104 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -16.946 -16.611 37.093 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -12.654 -23.012 24.512 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -13.346 -23.410 25.082 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -13.144 -22.703 23.721 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -13.484 -19.549 37.941 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -13.286 -19.659 38.875 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -13.277 -20.422 37.545 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -25.176 -20.744 24.649 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -25.503 -20.092 25.310 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -25.895 -20.817 24.016 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -22.684 -21.477 25.368 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -23.533 -21.242 24.914 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -22.897 -21.383 26.327 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -20.336 -18.149 31.013 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -20.186 -18.576 31.880 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -20.966 -18.753 30.554 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -26.070 -18.917 26.462 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -25.563 -18.075 26.519 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -26.940 -18.692 26.804 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -17.489 -17.611 33.523 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -16.802 -18.225 33.850 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -18.254 -18.195 33.324 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -16.572 -17.621 20.967 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -15.606 -17.499 20.821 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -16.912 -17.872 20.102 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -17.347 -14.967 36.998 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -17.887 -14.980 36.181 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -17.451 -14.074 37.339 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -18.310 -15.326 27.420 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -18.947 -15.682 28.069 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -17.758 -14.724 27.939 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -22.653 -16.887 24.850 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -22.032 -17.637 24.956 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -23.295 -17.003 25.570 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -22.329 -12.314 23.922 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -21.814 -12.522 24.734 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -22.787 -13.157 23.706 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -16.038 -21.916 26.522 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -15.393 -22.622 26.312 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -16.689 -21.965 25.791 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -14.927 -14.027 30.436 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -15.832 -13.869 30.119 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -15.017 -14.796 31.038 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -20.104 -13.158 22.474 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -20.857 -12.720 22.912 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -19.696 -13.692 23.179 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -23.277 -14.822 23.236 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -22.979 -15.562 23.826 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -23.006 -15.104 22.354 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -15.281 -19.214 34.018 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -14.789 -18.801 33.269 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -14.947 -18.736 34.812 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -22.246 -24.222 25.689 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -22.245 -24.510 24.753 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -22.446 -23.268 25.644 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -13.725 -20.004 20.391 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -13.530 -20.043 19.453 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -13.749 -19.045 20.590 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -23.003 -22.276 33.420 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -22.577 -22.611 34.212 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -23.533 -23.037 33.091 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -10.793 -12.782 31.676 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -10.848 -12.011 32.298 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -10.501 -13.512 32.232 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -12.171 -17.808 34.154 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -12.752 -17.825 33.361 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -12.794 -17.649 34.901 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -15.780 -15.840 32.305 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -16.335 -16.577 32.626 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -16.290 -15.041 32.539 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -14.075 -21.879 22.373 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -13.847 -21.286 21.618 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -14.971 -22.176 22.176 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -13.678 -21.480 34.249 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -13.580 -21.715 35.197 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -14.334 -20.753 34.249 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -18.081 -24.272 26.792 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -17.275 -24.255 27.342 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -17.910 -23.612 26.092 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -13.475 -20.309 30.315 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -12.604 -20.218 29.854 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -13.379 -21.132 30.844 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -13.481 -22.653 31.772 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -12.777 -23.304 31.877 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -13.624 -22.303 32.684 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -19.257 -10.301 25.008 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -19.527 -11.190 25.303 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -20.101 -9.844 24.836 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -18.767 -15.420 34.635 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -18.275 -16.198 34.280 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -19.690 -15.704 34.630 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -18.063 -11.159 29.615 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -17.943 -12.113 29.799 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -19.038 -11.056 29.504 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -20.704 -10.628 29.446 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -20.827 -9.820 29.981 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -21.255 -10.471 28.646 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -21.947 -9.689 24.539 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -22.164 -10.599 24.227 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -22.387 -9.112 23.907 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -14.007 2.918 16.975 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -14.385 2.457 16.217 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -13.641 3.750 16.593 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -14.191 9.571 20.499 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -14.489 10.510 20.491 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -14.560 9.197 19.666 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -18.205 4.885 18.285 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -18.566 5.345 17.519 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -17.928 5.606 18.889 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -12.869 5.188 15.983 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -12.794 6.027 15.466 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -11.947 4.855 16.035 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -12.799 -12.140 20.813 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -12.141 -11.558 21.245 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -13.440 -11.520 20.416 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -13.097 -7.885 16.809 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -13.477 -7.256 16.190 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -12.670 -8.564 16.229 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -21.897 5.077 20.975 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -21.612 5.829 20.420 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -21.118 4.509 21.022 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -19.051 2.701 19.862 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -18.805 3.318 19.149 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -19.022 3.252 20.673 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -15.203 -12.714 18.521 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -15.051 -11.825 18.916 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -15.056 -12.580 17.576 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -18.322 9.242 15.540 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -19.203 9.414 15.158 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -17.715 9.740 14.965 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -19.382 -12.693 19.913 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -20.184 -12.451 19.443 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -19.686 -12.873 20.835 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -17.805 -13.889 30.135 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -17.677 -13.833 31.109 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -18.530 -14.541 30.028 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -12.797 -8.705 33.708 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -13.298 -7.927 33.389 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -13.472 -9.376 33.852 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -16.762 -11.135 27.219 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -17.261 -10.974 28.050 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -16.873 -10.305 26.708 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -14.473 -3.671 33.643 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -14.850 -3.428 34.492 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -14.084 -2.839 33.307 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -15.074 5.870 20.963 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -15.067 5.138 21.613 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -15.058 5.407 20.090 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -19.152 5.664 24.984 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -19.198 4.836 24.487 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -19.957 6.158 24.701 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -17.292 7.111 19.757 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -16.453 6.794 20.155 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -17.896 7.213 20.525 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -18.840 4.385 21.985 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -18.855 5.364 21.988 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -18.215 4.150 22.700 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -11.407 -3.207 34.802 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -11.688 -4.127 34.621 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -12.103 -2.662 34.405 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -15.382 -7.148 19.560 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -15.735 -7.518 18.743 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -14.448 -7.449 19.575 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -16.581 0.391 22.277 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -17.074 0.664 23.070 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -17.283 0.211 21.607 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -10.818 3.409 24.789 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -10.118 3.766 24.231 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -11.490 3.092 24.154 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -16.907 -6.529 24.532 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -16.737 -5.588 24.618 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -16.736 -6.722 23.587 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -20.788 -8.358 31.052 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -21.434 -8.308 31.767 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -20.781 -7.469 30.673 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -18.707 0.099 20.564 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -18.856 1.033 20.282 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -19.455 -0.379 20.195 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -15.533 4.273 18.838 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -15.021 3.691 18.241 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -16.452 4.197 18.517 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -21.154 6.994 23.737 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -22.027 6.589 23.521 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -21.377 7.926 23.974 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -13.010 3.755 30.094 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -13.344 4.151 30.911 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -13.694 3.989 29.418 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -17.334 0.879 24.975 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -18.043 0.493 25.502 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -16.511 0.589 25.429 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -15.015 -0.091 26.154 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -14.851 -0.308 27.079 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -14.151 0.267 25.834 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -13.307 -1.150 33.482 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -13.822 -0.414 33.833 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -12.731 -0.740 32.817 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -16.611 -7.278 21.934 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -17.531 -7.461 21.710 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -16.191 -7.054 21.068 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -11.809 -6.845 29.156 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -12.610 -7.081 29.638 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -11.882 -7.343 28.311 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -12.004 -9.493 14.949 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -11.399 -9.253 14.241 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -12.189 -10.449 14.790 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -11.928 -8.438 26.863 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -11.748 -9.317 27.264 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -12.653 -8.612 26.226 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -18.281 -9.397 31.755 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -19.158 -9.070 31.476 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -17.996 -9.975 31.016 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -16.755 -7.758 33.316 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -17.190 -8.379 32.686 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -17.399 -7.650 34.020 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -11.405 -10.852 28.074 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -10.878 -11.600 27.727 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -12.057 -11.277 28.675 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -14.651 -10.351 19.847 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -14.062 -9.617 19.575 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -14.906 -10.122 20.765 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -17.247 3.484 24.106 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -17.357 2.541 24.359 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -17.030 3.934 24.953 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -20.423 -12.690 25.861 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -20.280 -12.686 26.816 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -19.895 -13.456 25.540 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -14.494 -12.436 27.695 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -14.066 -12.305 28.563 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -15.340 -11.945 27.767 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -16.859 -9.111 25.406 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -16.960 -8.154 25.194 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -17.739 -9.500 25.183 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -14.088 -9.230 25.112 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -15.020 -9.109 25.389 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -14.141 -9.323 24.144 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -23.588 6.247 22.746 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -24.399 6.426 22.234 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -23.060 5.664 22.157 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -11.287 -1.059 23.839 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -11.845 -1.745 23.418 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -10.389 -1.389 23.735 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -20.840 19.698 -6.389 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -21.004 20.662 -6.514 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -20.233 19.466 -7.118 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -16.132 16.769 -6.115 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -16.110 17.399 -6.857 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -16.633 17.240 -5.420 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -27.157 15.199 -6.739 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -27.130 14.917 -5.801 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -26.472 14.675 -7.162 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -19.530 24.261 -4.549 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -19.464 24.416 -5.519 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -18.680 24.544 -4.206 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -25.245 20.420 -5.889 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -24.501 19.978 -5.421 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -25.973 19.762 -5.853 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -18.098 21.959 -6.559 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -18.529 21.690 -5.735 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -18.598 22.760 -6.839 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -14.456 14.480 -2.867 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -15.327 14.567 -2.437 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -13.816 14.601 -2.133 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -17.273 18.165 -12.161 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -17.593 19.029 -12.475 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -17.938 17.893 -11.506 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -14.069 18.682 -9.833 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -13.496 19.373 -10.193 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -14.308 18.143 -10.613 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -16.513 14.151 -5.285 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -16.474 15.021 -5.733 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -15.587 13.895 -5.187 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -17.214 18.505 -4.181 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -16.364 18.957 -4.382 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -17.124 18.231 -3.248 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -19.819 17.871 -4.648 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -20.249 18.478 -5.287 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -18.891 18.183 -4.610 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -23.133 19.125 -4.579 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -22.357 19.201 -5.165 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -22.904 18.398 -3.968 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -19.439 18.802 -10.470 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -19.196 19.615 -10.949 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -19.217 19.001 -9.534 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -27.933 16.967 -3.474 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -28.824 16.569 -3.413 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -27.348 16.207 -3.651 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -27.261 22.251 -6.346 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -26.495 21.639 -6.310 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -27.515 22.260 -7.294 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -21.063 22.390 -6.789 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -20.600 23.253 -6.808 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -21.969 22.606 -6.457 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -27.605 22.558 -9.084 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -27.161 21.978 -9.711 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -28.425 22.843 -9.558 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -16.701 23.136 -10.601 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -16.526 22.517 -9.864 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -17.519 23.611 -10.324 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -16.433 14.949 -0.888 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -15.750 14.750 -0.213 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -17.130 14.302 -0.715 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -26.387 11.727 -3.218 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -26.937 11.491 -2.457 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -26.337 10.914 -3.737 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -25.355 12.209 2.645 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -25.220 12.332 3.607 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -24.656 11.567 2.386 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -24.470 13.725 -2.587 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -24.960 12.885 -2.645 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -24.983 14.334 -3.136 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -19.787 16.093 -2.646 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -19.387 15.242 -2.947 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -19.824 16.643 -3.466 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -14.787 19.327 -5.150 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -15.008 19.356 -6.102 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -13.992 18.784 -5.109 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -27.454 18.782 -5.622 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -27.913 18.386 -6.390 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -27.618 18.148 -4.896 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -18.557 20.682 -12.515 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -18.783 21.618 -12.427 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -19.221 20.335 -13.163 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -29.476 14.545 -2.985 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -29.453 14.353 -2.021 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -30.398 14.315 -3.254 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -24.149 22.904 -3.396 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -23.257 23.256 -3.173 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -24.018 21.953 -3.458 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -10.724 19.418 -12.528 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -11.635 19.787 -12.444 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -10.853 18.568 -12.966 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -15.746 19.134 -7.783 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -15.144 18.769 -8.478 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -15.790 20.093 -7.994 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -23.882 25.423 -8.941 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -23.724 25.903 -9.775 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -23.183 24.734 -8.930 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -21.674 23.855 -2.862 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -21.846 24.788 -2.589 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -20.905 23.921 -3.466 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -21.619 23.797 -9.141 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -20.697 24.128 -9.030 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -21.675 23.049 -8.521 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -11.875 25.495 -18.241 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -11.967 25.332 -19.183 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -11.512 24.651 -17.885 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -15.781 21.295 -12.392 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -16.652 20.956 -12.655 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -15.988 22.051 -11.809 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -20.526 19.692 -14.059 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -20.914 19.047 -13.421 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -20.938 19.470 -14.898 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -22.556 14.521 -0.818 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -23.289 14.177 -1.382 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -21.754 14.216 -1.261 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -21.410 17.965 -12.171 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -21.895 17.217 -11.815 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -20.735 18.165 -11.486 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -29.729 23.269 -10.573 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -30.047 23.960 -11.160 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -30.547 22.794 -10.294 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -29.848 23.507 -1.320 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -29.780 22.603 -0.946 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -29.420 24.072 -0.647 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -27.365 18.494 -1.220 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -27.396 18.004 -0.371 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -27.631 17.830 -1.888 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -27.403 17.325 1.255 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -28.244 17.172 1.718 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -26.923 16.470 1.348 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -22.435 15.064 1.887 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -21.590 14.609 2.088 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -22.692 14.711 1.006 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -27.036 14.322 -4.102 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -26.780 13.397 -3.915 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -27.966 14.383 -3.767 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -22.434 17.110 -2.505 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -21.490 16.875 -2.592 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -22.840 16.315 -2.137 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -19.814 14.392 2.357 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -18.992 14.054 1.934 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -19.674 14.214 3.317 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -17.525 17.347 -1.593 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -18.364 16.984 -1.951 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -16.981 16.549 -1.412 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -26.632 14.730 1.570 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -27.195 13.931 1.610 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -25.758 14.410 1.834 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -23.399 10.354 2.130 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -22.471 10.383 2.382 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -23.544 9.441 1.862 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -22.866 26.347 -11.446 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -22.953 26.557 -12.402 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -22.034 25.836 -11.391 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -32.026 22.084 -9.753 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -32.830 21.623 -10.002 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -32.236 22.485 -8.880 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -32.659 23.348 -7.421 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -32.358 24.290 -7.384 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -33.419 23.323 -6.830 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -13.370 20.020 -12.335 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -14.112 20.661 -12.425 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -13.807 19.145 -12.396 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -14.645 17.594 -12.290 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -15.614 17.790 -12.235 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -14.600 16.773 -12.789 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -15.874 21.864 -8.216 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -15.206 22.537 -8.006 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -16.563 21.982 -7.524 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -28.817 17.226 -7.464 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -29.159 16.993 -8.334 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -28.245 16.459 -7.216 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -12.745 14.917 -0.782 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -12.679 15.828 -1.141 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -11.820 14.583 -0.810 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -18.612 13.851 -3.590 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -19.057 13.099 -3.987 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -17.821 13.992 -4.164 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -27.654 24.778 -5.243 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -27.646 24.011 -5.848 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -28.587 24.848 -4.955 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -23.659 22.712 -6.176 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -24.203 21.907 -6.277 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -23.987 23.118 -5.354 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -20.529 24.692 -11.527 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -19.795 24.790 -10.874 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -21.143 24.073 -11.092 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -14.416 24.749 -10.733 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -14.155 24.495 -9.832 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -15.225 24.222 -10.901 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -28.065 16.701 15.768 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -28.813 17.132 15.332 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -27.590 16.243 15.035 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -25.754 17.382 11.354 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -25.138 16.659 11.088 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -26.421 17.398 10.632 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -31.948 11.672 8.378 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -31.289 12.185 7.864 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -32.791 12.072 8.148 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -28.674 15.288 6.141 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -28.917 16.157 5.809 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -27.704 15.345 6.274 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -12.561 11.040 14.538 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -12.415 11.821 15.111 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -12.517 11.401 13.631 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -18.769 14.291 10.041 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -18.546 15.037 10.616 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -19.476 13.810 10.536 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -24.140 11.967 10.961 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -23.388 11.463 10.609 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -23.746 12.819 11.240 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -19.771 11.235 7.719 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -19.726 10.760 6.880 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -19.139 10.751 8.304 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -24.015 14.581 7.945 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -23.228 15.026 7.570 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -24.039 14.892 8.886 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -12.475 13.455 15.889 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -12.652 13.549 16.847 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -13.165 13.987 15.470 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -23.269 17.433 15.521 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -24.008 17.959 15.872 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -23.563 16.508 15.630 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -17.975 9.944 9.247 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -18.315 9.881 10.175 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -17.337 9.224 9.183 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -24.506 14.925 15.665 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -25.036 14.424 16.321 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -25.164 15.212 14.998 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -16.769 19.190 12.429 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -17.662 19.358 12.788 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -16.483 20.065 12.082 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -14.630 9.603 15.592 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -13.894 10.176 15.273 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -15.410 9.939 15.123 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -21.953 15.983 6.811 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -22.303 15.675 5.943 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -21.144 15.452 6.944 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -18.256 16.707 5.353 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -18.654 15.889 4.999 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -18.488 17.386 4.709 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -25.765 13.836 12.169 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -24.841 14.144 12.031 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -25.733 12.890 11.935 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -16.302 15.373 6.736 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -16.940 16.008 6.330 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -16.831 14.889 7.387 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -26.268 13.756 17.478 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -27.018 13.148 17.458 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -26.615 14.547 17.939 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -28.288 20.010 16.617 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -27.419 19.571 16.602 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -28.220 20.654 17.356 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -29.392 23.638 11.173 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -30.049 23.530 10.465 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -29.545 22.859 11.762 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -14.826 17.668 15.361 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -15.405 17.090 15.896 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -15.396 18.419 15.110 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -30.378 19.970 14.852 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -29.616 19.963 15.475 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -31.131 20.199 15.402 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -21.951 7.116 16.621 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -21.445 6.332 16.858 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -21.803 7.213 15.651 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -22.311 13.782 14.467 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -23.044 14.200 14.964 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -22.536 13.949 13.529 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -28.607 12.623 9.252 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -29.115 11.961 9.772 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -29.131 12.741 8.441 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -18.942 14.059 4.886 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -19.232 13.987 5.823 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -18.013 13.737 4.894 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -20.787 13.025 11.337 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -21.583 13.560 11.569 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -21.135 12.338 10.728 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -24.917 12.758 5.339 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -24.626 12.239 6.118 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -25.712 13.215 5.646 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -21.976 11.447 9.371 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -21.213 11.293 8.781 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -22.736 11.548 8.757 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -30.337 10.825 10.409 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -31.012 11.047 9.730 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -30.742 10.125 10.924 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -24.331 11.892 7.981 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -24.858 11.657 8.764 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -24.273 12.874 8.017 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -18.728 9.687 11.855 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -19.538 9.698 12.388 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -18.028 9.946 12.483 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -23.337 15.008 4.624 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -23.787 14.151 4.766 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -23.157 15.028 3.661 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -16.819 25.246 18.328 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -17.210 25.893 17.724 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -16.111 24.819 17.797 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -27.667 15.994 18.372 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -27.926 16.186 17.439 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -27.456 16.860 18.738 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -19.340 12.396 13.622 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -19.430 13.088 14.314 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -19.875 12.735 12.870 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -17.195 13.690 1.918 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -17.011 13.625 2.877 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -16.308 13.691 1.508 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -27.009 14.708 9.875 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -26.586 14.400 10.699 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -27.614 13.970 9.627 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -11.825 14.428 2.616 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -12.243 15.313 2.505 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -10.877 14.584 2.394 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -28.932 9.805 2.077 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -29.614 9.443 1.501 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -28.841 9.150 2.778 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -29.556 21.367 12.618 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -29.981 20.811 13.306 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -28.611 21.379 12.873 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -16.993 10.973 13.682 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -17.744 11.607 13.731 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -16.405 11.354 12.995 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -19.782 14.012 7.463 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -19.468 14.303 8.344 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -19.935 13.050 7.572 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -11.603 10.451 20.746 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -12.533 10.156 20.676 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -11.658 11.427 20.695 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -16.758 12.853 8.824 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -17.222 12.067 8.510 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -17.461 13.398 9.238 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -27.809 12.241 1.413 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -26.904 12.117 1.782 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -28.275 11.409 1.647 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -16.195 21.776 11.652 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -15.972 22.224 12.489 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -16.276 22.505 11.008 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -22.827 25.666 14.913 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -23.682 25.192 14.828 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -23.026 26.419 15.493 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -24.171 11.976 17.667 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -24.905 12.621 17.669 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -24.055 11.741 18.609 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -25.927 15.715 6.353 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -25.410 15.250 7.049 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -25.289 15.848 5.637 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -22.372 11.378 15.778 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -22.245 12.213 15.273 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -23.137 11.574 16.371 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -20.613 10.078 14.161 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -20.177 10.930 13.930 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -21.366 10.350 14.739 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -23.347 8.957 21.395 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -23.138 8.706 22.310 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -24.013 8.295 21.115 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -21.349 7.433 13.989 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -21.349 7.196 13.057 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -21.125 8.388 13.995 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -22.015 9.666 17.954 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -21.726 8.878 17.454 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -22.151 10.347 17.266 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -19.299 7.078 21.719 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -19.833 7.100 22.544 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -19.965 7.168 21.001 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -27.903 20.041 1.618 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -27.520 19.178 1.356 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -28.469 20.299 0.855 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -31.337 22.678 9.254 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -31.143 21.773 9.539 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -32.266 22.807 9.489 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -26.738 23.127 10.950 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -26.734 22.547 11.747 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -27.677 23.402 10.863 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -13.539 24.214 11.575 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -14.383 24.419 11.123 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -13.704 23.368 12.006 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -15.273 23.213 13.819 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -15.894 23.970 13.682 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -14.470 23.629 14.194 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -12.285 17.007 14.558 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -13.210 17.153 14.845 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -11.963 17.900 14.341 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -15.494 16.770 12.349 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -16.030 17.592 12.242 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -14.929 16.959 13.108 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -14.593 14.078 1.010 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -14.167 14.020 1.878 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -13.856 14.330 0.400 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -12.967 12.994 8.563 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -13.229 13.940 8.478 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -13.789 12.545 8.796 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -26.414 15.860 13.770 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -26.272 16.546 13.092 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -26.367 15.014 13.262 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -11.682 9.745 5.250 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -10.877 9.294 5.526 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -11.601 10.643 5.639 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -16.224 13.638 4.570 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -15.331 13.290 4.344 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -16.057 14.249 5.320 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -15.685 12.156 11.427 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -16.162 12.054 10.586 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -15.344 13.077 11.393 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -12.791 7.392 21.339 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -13.483 6.703 21.265 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -13.256 8.219 21.093 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -14.536 12.289 20.364 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -14.676 12.788 21.200 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -13.883 12.819 19.877 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -25.974 18.548 16.008 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -25.837 18.857 15.083 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -26.622 17.823 15.924 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -14.991 8.449 18.131 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -14.902 8.886 17.254 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -15.874 8.057 18.113 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -26.348 22.485 15.824 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -26.402 21.653 16.312 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -26.609 23.163 16.482 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -16.874 25.322 13.134 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -16.378 26.067 12.717 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -17.736 25.724 13.385 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -26.909 21.675 13.284 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -26.785 22.041 14.187 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -26.458 20.805 13.318 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -25.562 19.285 13.406 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -25.678 18.650 12.669 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -24.719 19.748 13.195 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -24.985 22.130 9.075 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -24.613 22.879 8.560 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -25.656 22.549 9.656 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -25.330 7.036 20.726 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -26.247 6.883 20.477 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -24.855 7.105 19.863 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -19.141 8.156 17.942 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -18.804 8.557 17.109 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -18.340 7.985 18.469 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -15.014 20.729 14.996 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -15.248 21.527 14.478 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -15.074 21.023 15.923 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -18.480 16.731 24.267 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -17.991 17.205 23.568 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -18.276 17.236 25.078 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -15.571 12.202 28.719 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -14.889 12.552 29.338 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -16.397 12.282 29.210 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -16.116 7.075 27.844 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -16.615 7.486 27.105 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -15.767 7.844 28.349 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -16.964 20.296 21.477 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -17.750 19.885 21.054 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -16.699 19.645 22.167 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -15.151 9.434 28.743 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -14.182 9.322 28.705 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -15.286 10.394 28.640 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -16.396 18.277 23.203 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -16.453 18.451 24.163 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -15.658 17.626 23.119 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -21.574 13.211 24.951 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -21.012 13.826 24.429 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -22.394 13.733 25.126 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -20.730 15.342 23.462 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -19.964 15.880 23.759 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -21.485 15.941 23.538 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -17.871 14.102 21.157 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -17.715 14.120 22.128 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -17.769 15.041 20.882 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -12.631 2.340 22.965 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -12.872 1.730 23.692 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -13.469 2.811 22.756 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -21.286 24.526 21.597 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -20.469 24.414 21.073 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -21.251 25.438 21.896 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -18.587 22.348 22.213 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -18.587 23.091 21.579 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -17.844 21.779 21.917 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -17.290 14.191 23.876 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -17.041 13.744 24.721 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -17.725 15.020 24.164 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -20.575 10.978 26.175 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -21.023 10.960 27.028 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -20.855 11.837 25.775 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -21.057 7.356 19.662 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -21.937 7.665 19.384 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -20.443 7.752 18.994 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -26.061 12.544 21.309 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -26.809 13.047 20.921 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -26.131 12.713 22.269 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -23.908 7.661 18.519 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -23.479 7.251 17.743 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -23.688 8.605 18.438 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -23.889 14.636 24.733 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -24.728 14.166 24.567 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -24.018 15.514 24.314 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -14.859 13.592 22.764 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -15.753 13.761 23.133 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -14.425 13.053 23.439 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -17.371 18.855 25.750 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -17.966 19.503 25.297 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -17.110 19.303 26.559 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -12.653 21.452 22.487 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -11.843 21.174 22.008 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -12.680 22.426 22.367 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -14.318 25.149 19.720 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -15.256 25.380 19.622 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -14.073 24.788 18.846 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -14.463 16.374 22.886 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -14.527 15.403 22.814 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -13.495 16.548 22.914 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -23.296 19.590 22.659 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -22.339 19.608 22.484 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -23.580 20.506 22.493 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -15.780 8.346 23.462 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -15.320 8.056 22.661 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -15.122 8.909 23.925 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -18.963 20.640 24.443 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -19.843 20.402 24.122 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -18.692 21.378 23.862 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -23.241 11.736 23.302 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -22.613 12.336 23.760 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -23.152 11.967 22.363 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -18.225 9.638 23.249 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -18.170 9.998 24.158 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -17.413 9.098 23.158 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -24.115 22.569 24.671 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -24.377 21.673 24.906 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -24.430 23.110 25.398 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -25.735 12.624 24.066 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -26.174 11.966 24.616 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -24.859 12.227 23.866 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -17.896 10.460 25.847 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -18.846 10.595 26.062 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -17.759 9.493 25.957 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -24.137 16.991 23.244 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -23.803 17.912 23.154 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -24.810 16.919 22.563 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -28.153 13.980 20.226 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -29.088 14.022 20.449 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -28.017 14.730 19.612 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -23.813 11.450 20.364 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -24.666 11.819 20.705 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -23.787 10.535 20.722 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -20.823 20.773 22.024 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -21.593 21.389 22.026 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -20.044 21.367 22.083 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -11.789 16.822 23.034 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -11.468 17.718 23.255 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -11.530 16.277 23.814 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -11.036 15.605 25.333 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -11.462 15.537 26.212 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -10.133 15.307 25.484 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -16.369 12.764 26.070 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -16.847 11.916 25.935 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -15.976 12.675 26.958 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -13.685 8.588 32.864 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -14.549 8.291 33.167 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -13.187 7.764 32.711 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -15.013 4.663 28.522 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -15.258 5.610 28.452 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -15.621 4.219 27.909 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -12.493 8.597 28.490 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -12.624 7.987 27.751 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -12.019 8.060 29.165 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -17.040 4.791 26.518 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -16.680 5.558 27.011 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -17.895 5.115 26.166 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -17.453 7.769 25.595 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -16.834 7.841 24.833 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -18.081 7.065 25.329 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -21.780 9.565 24.081 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -21.247 9.986 24.786 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -22.387 10.276 23.783 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -22.956 22.425 22.327 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -23.383 22.555 23.209 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -22.510 23.282 22.150 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -12.754 24.152 21.710 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -13.395 24.492 21.041 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -12.512 24.931 22.220 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -30.049 44.557 -37.662 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -29.312 44.087 -37.203 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -30.021 44.216 -38.570 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -31.504 44.946 -40.389 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -31.943 45.646 -39.864 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -32.231 44.557 -40.920 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -29.140 33.292 -25.604 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -29.271 32.884 -24.718 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -29.267 32.564 -26.221 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -26.573 35.758 -22.594 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -27.491 35.603 -22.275 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -26.037 35.739 -21.788 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -24.440 26.432 -21.369 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -24.092 25.800 -22.005 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -24.716 27.200 -21.922 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -27.059 35.143 -19.735 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -27.859 35.310 -20.274 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -26.824 36.027 -19.376 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -24.982 28.399 -23.228 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -25.664 29.106 -23.268 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -24.375 28.619 -23.939 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -26.391 37.658 -18.736 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -25.818 38.314 -19.200 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -27.101 38.195 -18.359 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -26.650 33.362 -23.961 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -26.997 33.581 -24.839 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -26.420 34.231 -23.571 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -25.145 36.494 -16.532 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -24.501 35.800 -16.768 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -25.489 36.805 -17.393 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -23.863 40.928 -17.618 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -24.147 40.411 -18.395 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -24.686 41.018 -17.082 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -33.228 37.474 -20.699 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -32.649 36.698 -20.661 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -34.013 37.212 -20.166 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -33.271 38.128 -23.349 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -33.833 38.901 -23.556 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -33.444 37.953 -22.400 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -31.268 41.294 -23.208 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -30.510 40.696 -23.398 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -31.926 41.068 -23.897 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -18.371 30.393 -15.987 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -18.462 31.327 -16.265 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -19.261 30.009 -16.155 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -29.105 35.287 -21.608 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -29.481 34.452 -21.273 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -29.868 35.736 -22.033 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -20.958 29.806 -16.809 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -21.787 29.426 -16.451 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -20.732 29.210 -17.560 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -26.710 30.544 -23.668 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -26.427 31.472 -23.777 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -27.657 30.609 -23.474 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -21.601 32.554 -16.778 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -21.497 31.583 -16.879 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -20.697 32.866 -16.575 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -28.989 32.259 -23.040 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -28.125 32.705 -23.142 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -29.154 32.277 -22.080 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -22.282 37.248 -17.993 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -22.936 37.823 -18.409 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -21.481 37.805 -17.931 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -30.370 39.595 -26.842 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -30.450 38.682 -27.180 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -29.850 40.064 -27.532 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -23.283 34.725 -17.626 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -22.589 34.040 -17.547 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -22.782 35.556 -17.807 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -33.517 34.031 -19.954 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -32.593 34.341 -19.812 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -33.668 34.165 -20.920 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -31.864 42.858 -21.050 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -32.289 42.154 -20.528 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -31.607 42.407 -21.884 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -20.751 27.838 -18.711 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -21.677 27.563 -18.885 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -20.247 27.023 -18.780 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -28.665 41.110 -28.456 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -28.424 41.799 -27.790 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -27.817 40.801 -28.792 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -23.710 38.352 -14.340 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -24.629 38.608 -14.555 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -23.462 37.749 -15.053 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -25.759 33.538 -17.895 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -24.843 33.870 -18.002 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -26.276 34.052 -18.551 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -20.738 33.783 -12.255 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -20.644 34.701 -12.533 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -19.825 33.513 -12.000 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -23.338 26.877 -18.902 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -23.728 26.839 -19.809 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -23.784 26.168 -18.425 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -28.908 32.795 -20.228 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -28.885 31.955 -19.716 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -28.078 33.237 -19.990 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -18.771 33.105 -16.506 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -18.656 33.705 -17.252 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -17.975 33.259 -15.949 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -27.068 31.457 -16.561 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -26.540 32.183 -16.958 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -27.709 31.219 -17.263 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -23.309 28.379 -16.473 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -23.215 27.966 -17.354 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -24.266 28.619 -16.422 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -22.709 27.421 -13.967 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -22.934 27.673 -14.889 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -21.834 26.972 -14.050 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -20.285 26.150 -13.841 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -20.360 25.496 -13.114 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -19.328 26.345 -13.885 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -25.935 28.974 -16.296 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -26.256 29.898 -16.293 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -26.657 28.475 -16.729 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -24.872 28.308 -11.592 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -24.208 27.600 -11.498 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -25.394 28.256 -10.761 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -32.156 43.041 -27.194 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -32.753 43.808 -27.316 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -31.749 42.908 -28.086 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -30.856 42.559 -29.529 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -30.500 43.280 -30.064 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -30.079 42.003 -29.324 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -15.191 35.763 -14.557 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -14.226 35.824 -14.370 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -15.412 36.626 -14.943 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -29.524 35.986 -25.301 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -29.981 36.272 -26.119 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -29.357 35.024 -25.442 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -16.335 33.330 -15.212 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -15.578 32.778 -15.528 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -15.926 34.199 -15.002 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -14.427 31.594 -16.019 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -14.914 30.767 -16.211 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -13.487 31.323 -16.026 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -31.299 32.544 -17.641 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -30.971 32.355 -16.750 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -31.297 31.674 -18.085 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -13.892 27.924 -15.177 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -14.283 27.205 -14.641 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -14.667 28.368 -15.585 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -31.089 36.925 -27.390 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -32.004 37.015 -27.087 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -31.165 36.495 -28.251 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -15.912 29.299 -16.533 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -16.791 29.649 -16.255 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -16.097 28.823 -17.350 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -24.807 39.619 -19.907 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -23.872 39.482 -20.186 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -25.089 40.421 -20.400 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -22.139 39.396 -20.286 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -21.632 39.837 -20.974 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -21.489 39.237 -19.573 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -26.970 44.273 -21.464 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -27.949 44.283 -21.364 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -26.827 44.540 -22.384 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -29.282 39.825 -24.332 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -28.747 39.004 -24.230 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -29.637 39.765 -25.246 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -26.768 40.524 -23.435 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -27.731 40.493 -23.612 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -26.468 39.620 -23.622 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -27.520 25.726 -19.188 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -27.731 24.787 -19.234 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -27.020 25.899 -19.995 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -27.968 43.682 -36.169 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -27.955 43.357 -35.260 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -27.394 44.473 -36.147 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -17.505 26.189 -13.263 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -16.546 26.374 -13.310 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -17.591 25.577 -12.527 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -19.114 40.035 -7.938 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -19.426 40.704 -8.580 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -18.672 40.563 -7.235 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -25.463 30.118 -4.033 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -25.609 29.188 -4.255 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -24.867 30.443 -4.736 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -23.042 37.008 -3.142 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -22.859 36.575 -3.985 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -22.398 37.756 -3.110 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -28.108 39.067 -3.582 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -28.084 39.574 -4.424 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -27.203 38.691 -3.507 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -14.766 26.555 -12.837 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -14.567 25.917 -12.118 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -14.323 27.378 -12.555 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -15.967 39.315 -15.213 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -15.989 39.595 -14.294 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -15.089 39.630 -15.538 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -21.344 39.162 -3.057 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -20.556 39.313 -2.505 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -21.870 39.964 -2.937 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -23.594 41.949 -11.268 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -22.971 42.431 -11.859 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -23.437 41.006 -11.476 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -21.948 43.261 -12.892 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -21.360 44.010 -13.145 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -21.998 42.716 -13.704 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -21.511 31.073 1.875 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -20.648 30.606 1.773 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -22.113 30.599 1.266 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -27.753 28.702 -12.171 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -27.969 29.271 -12.947 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -26.822 28.453 -12.312 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -31.104 27.777 -8.783 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -32.058 27.766 -9.038 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -30.657 28.179 -9.566 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -31.263 29.863 -18.480 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -31.686 29.683 -17.608 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -32.016 30.078 -19.071 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -24.206 32.683 -15.573 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -23.374 32.676 -16.088 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -24.838 33.149 -16.150 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -17.280 42.138 0.186 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -17.143 42.884 0.811 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -16.785 42.405 -0.614 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -23.202 39.279 -11.866 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -23.902 38.778 -11.433 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -23.225 38.962 -12.804 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -21.978 33.416 -0.076 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -21.689 32.797 -0.776 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -21.893 32.900 0.742 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -12.270 40.627 -12.878 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -11.441 41.159 -12.846 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -12.745 40.970 -13.653 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -20.535 39.748 -11.474 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -20.476 40.405 -10.756 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -21.489 39.530 -11.525 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -13.425 40.148 -15.595 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -12.813 39.430 -15.343 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -12.846 40.811 -16.039 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -27.685 30.644 -2.570 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -26.912 30.556 -3.176 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -27.468 30.055 -1.831 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -13.399 36.726 -11.344 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -13.253 37.679 -11.152 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -13.142 36.628 -12.284 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -26.404 38.328 -15.016 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -27.095 37.932 -14.464 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -26.044 37.570 -15.534 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -19.665 41.944 -17.965 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -18.992 42.494 -18.381 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -19.169 41.422 -17.293 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -28.267 30.584 -14.141 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -29.104 31.086 -14.146 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -27.802 30.891 -14.944 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -15.881 37.977 -6.820 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -14.982 38.153 -6.461 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -16.380 37.639 -6.049 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -27.082 38.668 -0.506 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -26.471 37.906 -0.359 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -27.325 38.598 -1.442 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -25.291 37.875 2.819 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -25.235 37.546 1.896 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -24.767 38.686 2.813 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -20.410 39.296 -18.111 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -20.424 40.269 -18.208 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -19.701 39.140 -17.456 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -28.590 31.942 0.371 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -28.133 32.091 1.220 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -29.362 31.388 0.610 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -22.977 35.981 -0.582 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -22.968 36.158 -1.548 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -22.618 35.067 -0.498 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -18.449 40.096 -16.269 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -18.844 40.251 -15.381 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -17.538 39.785 -16.071 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -16.247 34.915 -12.143 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -15.956 35.196 -13.036 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -15.542 35.226 -11.557 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -26.698 33.394 -0.990 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -27.294 32.768 -0.524 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -26.103 33.717 -0.290 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -27.115 28.651 1.426 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -27.778 29.306 1.699 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -27.429 27.815 1.824 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -26.274 40.771 -16.403 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -26.914 41.297 -15.883 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -26.303 39.890 -15.985 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -17.234 31.230 -13.574 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -17.667 30.675 -14.253 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -16.814 31.950 -14.090 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -18.209 33.034 -11.741 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -17.954 32.355 -12.406 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -17.537 33.746 -11.859 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -23.158 29.814 -0.015 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -23.225 28.832 -0.102 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -23.976 30.140 -0.414 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -30.753 30.270 -7.581 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -30.961 29.340 -7.813 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -30.573 30.689 -8.434 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -28.346 30.866 -6.326 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -29.239 30.633 -6.643 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -27.824 30.969 -7.148 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -13.437 29.059 -12.669 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -12.525 29.363 -12.455 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -13.403 28.848 -13.624 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -30.243 29.047 -11.001 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -29.371 28.878 -11.415 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -30.816 29.311 -11.751 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -14.809 36.454 -8.890 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -14.238 36.889 -9.540 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -14.890 37.100 -8.167 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -31.988 25.921 -6.958 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -32.417 26.600 -6.395 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -31.551 26.442 -7.659 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -25.439 36.697 0.309 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -24.564 36.526 -0.108 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -25.701 35.825 0.676 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -21.676 40.812 -0.463 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -21.886 39.922 -0.100 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -20.722 40.766 -0.658 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -17.994 40.427 2.278 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -17.702 40.889 1.459 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -18.460 41.125 2.786 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -17.972 41.064 -5.668 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -17.638 40.316 -5.160 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -18.350 41.665 -4.982 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -19.435 37.659 -6.559 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -19.550 38.621 -6.671 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -18.857 37.574 -5.780 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -14.275 43.748 -4.230 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -13.958 44.374 -4.918 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -14.627 42.990 -4.745 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -27.072 25.130 -8.270 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -26.375 25.458 -8.862 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -27.211 24.202 -8.552 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -26.624 27.807 -9.529 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -27.112 27.793 -8.681 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -27.289 28.086 -10.179 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -18.515 19.628 -8.014 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -17.636 19.209 -7.938 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -18.400 20.500 -7.584 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -28.665 30.555 -18.614 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -28.201 29.707 -18.462 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -29.619 30.304 -18.623 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -21.923 41.750 -15.213 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -21.958 42.421 -15.924 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -22.552 41.070 -15.501 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -16.474 39.676 -10.216 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -15.805 40.242 -9.788 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -16.896 40.266 -10.880 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -30.251 24.709 -4.222 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -30.913 25.404 -4.369 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -30.006 24.809 -3.286 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -20.275 30.248 7.816 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -20.911 30.973 7.983 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -19.627 30.636 7.183 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -18.066 32.731 9.049 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -17.515 31.938 8.880 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -17.937 33.288 8.241 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -16.652 36.622 9.600 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -17.143 35.976 10.159 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -17.346 37.129 9.161 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -13.181 30.261 12.238 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -13.510 30.454 11.340 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -12.452 29.626 12.094 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -20.365 32.208 10.455 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -20.115 31.408 10.934 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -19.581 32.409 9.897 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -24.623 28.201 8.640 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -25.129 28.792 8.053 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -23.717 28.220 8.269 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -23.579 32.062 6.108 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -23.122 32.119 6.977 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -22.839 32.010 5.456 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -23.391 27.015 10.856 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -24.010 26.309 11.148 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -23.894 27.506 10.173 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -20.023 38.283 2.517 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -19.974 37.799 3.370 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -19.166 38.745 2.452 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -16.133 26.726 8.971 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -16.978 27.209 8.842 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -15.672 26.823 8.120 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -27.578 30.864 9.435 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -26.859 30.425 9.905 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -27.162 31.657 9.051 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -15.778 27.275 11.664 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -15.708 27.181 10.692 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -15.820 28.240 11.808 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -17.977 40.053 6.785 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -18.558 39.470 6.288 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -17.171 39.511 6.942 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -14.079 37.097 8.984 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -14.991 36.818 9.254 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -13.594 37.141 9.816 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -16.075 36.459 5.002 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -16.079 37.160 4.310 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -16.847 35.886 4.766 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -21.371 31.922 4.496 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -21.454 31.627 3.565 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -20.449 32.250 4.562 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -21.207 39.101 6.120 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -21.257 39.751 5.378 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -20.722 38.340 5.736 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -24.956 32.856 9.262 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -25.574 32.892 8.500 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -25.070 33.705 9.699 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -21.321 40.768 8.325 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -22.223 40.596 8.595 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -21.169 40.147 7.583 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -19.129 42.313 7.714 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -19.972 41.993 8.095 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -18.644 41.488 7.486 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -22.015 28.202 7.864 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -21.443 28.969 7.628 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -21.729 27.963 8.755 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -25.376 30.010 6.612 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -25.494 29.851 5.649 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -24.714 30.732 6.649 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -18.334 30.901 6.053 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -18.462 31.713 5.499 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -18.388 30.157 5.405 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -18.334 28.338 8.464 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -19.109 28.931 8.398 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -18.196 28.019 7.531 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -31.255 29.339 5.740 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -31.239 30.108 5.131 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -30.811 29.664 6.543 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -28.365 26.595 2.839 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -28.155 26.679 3.778 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -29.227 27.059 2.742 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -28.055 29.631 6.255 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -27.179 29.740 6.680 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -28.694 29.798 6.977 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -15.953 30.010 12.114 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -15.746 30.412 11.248 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -15.119 30.100 12.619 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -25.765 29.871 3.892 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -26.726 29.799 3.713 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -25.428 30.399 3.156 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -22.385 32.039 8.581 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -21.768 32.220 9.325 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -23.272 32.251 8.948 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -22.314 28.374 15.531 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -22.219 28.149 14.587 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -21.652 29.079 15.672 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -17.450 34.241 6.891 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -17.846 34.186 5.993 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -16.858 35.000 6.838 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -20.080 36.916 4.911 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -20.795 36.322 5.179 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -19.309 36.313 4.763 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -18.179 34.739 10.878 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -18.050 33.998 10.247 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -19.007 34.529 11.320 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -27.027 32.995 7.474 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -27.101 33.888 7.067 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -27.437 32.406 6.826 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -13.737 39.849 2.911 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -12.989 40.034 2.326 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -13.415 40.106 3.797 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -27.592 25.438 13.192 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -27.120 25.703 12.390 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -28.356 24.935 12.862 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -21.877 38.263 0.505 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -22.277 37.395 0.280 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -21.358 38.089 1.322 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -23.561 37.848 6.846 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -23.612 37.227 6.086 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -22.738 38.355 6.684 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -26.201 37.572 7.409 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -26.394 38.250 8.061 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -25.239 37.684 7.224 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -19.088 26.811 13.722 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -19.215 26.839 14.694 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -19.994 26.936 13.359 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -23.978 36.236 4.667 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -24.492 36.793 4.046 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -24.379 35.359 4.589 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -18.501 29.502 13.274 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -17.634 29.710 12.865 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -18.554 28.526 13.240 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -16.694 30.520 8.202 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -17.101 29.665 8.451 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -17.125 30.746 7.345 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -26.987 35.344 6.081 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -26.707 36.148 6.588 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -27.523 35.702 5.344 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -27.169 32.317 2.790 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -26.642 32.682 3.538 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -27.711 31.613 3.202 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -24.781 24.882 11.666 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -25.422 24.238 11.295 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -24.753 24.668 12.623 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -21.117 40.542 3.826 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -20.599 41.356 3.654 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -20.849 39.933 3.116 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -25.687 34.222 1.469 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -26.326 33.631 1.922 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -24.852 34.065 1.931 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -25.487 33.471 4.657 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -25.944 34.050 5.301 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -24.824 32.982 5.200 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -21.317 31.117 -1.584 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -21.944 30.652 -0.993 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -20.967 30.422 -2.147 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -25.204 24.473 14.357 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -26.078 24.855 14.150 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -25.414 23.659 14.863 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -21.696 27.256 13.036 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -22.072 26.516 13.564 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -22.246 27.274 12.222 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -19.715 27.274 16.370 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -20.667 27.110 16.445 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -19.649 28.243 16.268 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -19.203 19.009 20.546 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -19.616 18.743 19.697 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -19.912 19.497 21.015 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -27.830 21.924 18.535 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -27.586 22.837 18.269 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -27.933 21.976 19.490 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -28.754 36.214 4.012 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -29.432 36.838 4.294 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -28.449 36.568 3.149 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -12.428 35.359 7.496 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -13.044 35.901 8.026 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -12.144 34.659 8.101 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -14.461 30.643 9.790 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -15.193 30.664 9.131 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -13.709 30.245 9.300 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -14.526 24.050 17.152 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -14.536 23.084 17.331 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -13.892 24.148 16.413 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -29.924 30.404 8.113 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -30.650 30.772 8.627 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -29.129 30.547 8.682 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -30.681 23.899 6.773 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -30.966 23.468 7.604 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -29.774 24.174 6.949 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -15.958 38.239 7.074 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -15.340 37.888 7.737 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -15.913 37.591 6.338 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -12.820 24.167 14.784 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -12.583 24.989 14.324 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -12.131 23.528 14.500 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -16.167 24.377 10.571 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -16.570 24.714 11.395 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -16.204 25.141 9.956 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -15.223 27.621 6.185 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -16.215 27.569 6.128 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -14.947 27.802 5.278 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -31.540 24.056 4.092 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -31.270 23.755 4.983 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -31.711 25.011 4.211 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -19.301 42.618 3.344 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -18.896 42.875 4.203 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -19.174 43.397 2.784 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -14.683 42.669 3.131 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -15.419 43.172 2.727 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -14.820 41.761 2.827 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -26.904 24.392 17.729 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -26.249 24.863 18.257 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -27.228 25.070 17.088 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -27.531 26.271 15.848 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -27.674 25.990 14.919 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -27.612 27.230 15.820 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -20.026 29.922 15.504 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -19.575 29.768 14.638 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -19.824 30.840 15.711 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -18.897 24.217 20.037 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -19.248 23.736 19.279 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -18.119 24.692 19.677 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -22.247 51.923 -45.073 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -22.022 51.020 -44.764 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -21.689 52.515 -44.521 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -27.253 54.919 -41.847 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -27.426 54.936 -40.881 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -26.758 54.103 -41.982 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -31.930 48.852 -45.836 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -32.500 48.871 -46.638 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -32.112 47.976 -45.434 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -24.599 52.703 -43.859 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -23.738 52.441 -44.250 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -25.246 52.514 -44.570 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -26.166 51.636 -45.820 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -27.050 51.486 -45.416 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -25.697 50.781 -45.698 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -23.018 53.544 -47.133 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -22.678 52.918 -46.460 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -22.933 53.055 -47.981 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -28.988 45.948 -40.701 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -29.245 46.775 -40.229 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -29.818 45.423 -40.726 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -28.881 57.775 -42.071 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -28.980 58.503 -41.423 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -28.255 57.169 -41.644 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -25.715 53.910 -47.240 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -25.924 53.067 -46.774 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -24.733 53.968 -47.195 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -23.807 54.872 -42.412 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -24.069 55.634 -42.982 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -24.172 54.087 -42.880 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -24.269 55.828 -39.876 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -24.032 55.622 -40.809 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -24.109 55.002 -39.407 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -26.624 57.284 -39.890 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -27.064 56.487 -39.526 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -25.701 56.998 -40.033 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -29.975 53.528 -45.407 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -30.621 53.649 -46.109 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -29.216 54.104 -45.677 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -31.264 54.028 -43.014 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -30.700 53.845 -43.792 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -31.173 54.997 -42.872 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -21.450 56.764 -35.897 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -21.065 57.619 -36.097 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -22.309 56.767 -36.382 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -27.719 54.915 -39.095 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -27.254 54.472 -38.354 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -28.672 54.767 -38.898 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -26.395 46.553 -41.239 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -26.125 46.039 -42.039 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -27.291 46.201 -41.021 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -28.511 51.368 -44.503 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -28.923 50.524 -44.793 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -29.143 52.060 -44.796 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -25.552 47.877 -39.016 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -25.816 47.366 -39.816 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -25.055 47.228 -38.471 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -29.310 48.176 -42.413 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -28.997 47.264 -42.296 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -29.613 48.436 -41.520 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -22.024 49.403 -44.041 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -22.245 49.495 -43.082 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -21.354 48.713 -44.062 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -25.824 53.059 -49.859 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -26.558 53.461 -50.329 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -25.890 53.422 -48.949 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -29.321 48.847 -45.045 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -30.240 48.810 -45.393 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -29.410 48.583 -44.098 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -26.635 53.567 -36.811 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -25.856 53.011 -37.037 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -27.207 52.972 -36.306 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -23.264 52.170 -49.487 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -23.021 51.745 -50.311 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -24.197 52.448 -49.626 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -26.878 47.473 -45.041 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -27.740 47.905 -45.207 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -26.224 48.181 -45.184 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -24.836 49.418 -44.862 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -23.863 49.461 -44.896 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -25.032 49.205 -43.925 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -21.418 54.074 -43.613 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -21.402 54.759 -44.289 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -22.101 54.376 -42.982 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -21.794 54.244 -34.929 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -22.725 54.340 -34.654 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -21.532 55.151 -35.209 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -24.553 56.927 -44.003 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -24.337 57.407 -44.806 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -25.536 56.898 -43.997 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -27.957 55.129 -46.252 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -27.661 55.737 -45.543 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -27.121 54.813 -46.662 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -31.393 56.703 -42.467 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -30.495 57.099 -42.495 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -31.771 57.034 -41.619 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -22.891 49.468 -41.492 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -23.048 49.843 -40.604 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -23.777 49.166 -41.780 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -25.772 45.451 -43.633 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -25.358 44.896 -44.296 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -26.208 46.166 -44.155 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -33.058 58.541 -36.638 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -32.315 57.907 -36.623 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -33.597 58.254 -37.402 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -25.812 58.389 -35.788 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -26.431 58.829 -36.383 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -26.078 58.691 -34.901 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -24.313 50.305 -39.293 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -24.984 50.906 -39.681 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -24.782 49.445 -39.201 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -26.430 45.937 -35.777 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -25.622 45.840 -36.328 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -26.728 46.853 -35.955 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -25.464 48.896 -42.269 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -25.800 48.028 -41.946 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -26.165 49.523 -42.034 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -27.240 48.373 -36.890 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -26.746 48.287 -37.735 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -28.098 47.933 -37.068 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -24.188 46.173 -37.324 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -23.502 45.589 -37.666 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -23.735 46.683 -36.605 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -29.679 47.205 -37.202 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -29.782 47.575 -38.114 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -29.813 46.237 -37.324 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -32.917 48.377 -42.176 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -33.649 47.982 -41.656 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -32.317 48.760 -41.487 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -32.822 46.951 -39.049 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -33.676 47.025 -39.530 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -32.358 47.792 -39.260 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -28.604 59.119 -39.663 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -27.784 58.580 -39.724 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -28.777 59.182 -38.706 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -27.257 56.598 -44.002 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -27.900 57.262 -43.686 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -27.233 55.929 -43.277 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -32.536 45.377 -36.791 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -31.747 44.897 -37.124 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -32.777 45.979 -37.529 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -27.215 44.680 -33.443 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -26.390 44.483 -32.989 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -26.941 45.229 -34.211 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -30.297 56.973 -25.524 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -31.161 56.734 -25.911 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -30.451 56.955 -24.554 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -27.801 45.597 -27.225 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -27.657 46.548 -27.115 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -28.068 45.504 -28.173 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -25.155 50.727 -26.561 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -24.941 51.548 -27.020 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -24.275 50.367 -26.288 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -27.834 53.343 -25.207 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -28.220 53.829 -24.448 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -27.974 53.947 -25.967 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -27.972 48.287 -25.775 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -27.925 49.112 -25.247 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -27.683 48.567 -26.674 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -28.676 54.871 -23.121 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -29.233 55.667 -23.207 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -29.112 54.347 -22.419 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -26.272 42.965 -24.591 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -26.794 42.950 -25.420 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -26.413 42.074 -24.207 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -25.674 51.995 -30.574 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -24.736 51.707 -30.557 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -26.066 51.476 -31.307 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -28.493 55.413 -26.827 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -29.074 56.065 -26.376 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -27.812 55.966 -27.278 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -27.231 50.760 -24.705 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -26.436 50.669 -25.274 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -27.580 51.657 -24.927 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -27.843 50.413 -18.125 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -27.964 50.346 -17.157 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -27.899 51.367 -18.310 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -26.647 50.575 -32.784 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -26.534 50.656 -33.757 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -27.563 50.891 -32.628 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -28.769 53.548 -28.775 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -28.792 54.197 -28.038 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -27.874 53.628 -29.132 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -27.524 60.239 -30.816 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -28.384 60.707 -30.925 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -27.156 60.610 -30.011 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -31.788 52.026 -20.089 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -31.092 52.527 -20.577 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -31.593 51.102 -20.284 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -27.702 46.049 -24.257 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -27.679 46.915 -24.729 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -27.411 45.410 -24.927 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -24.207 43.716 -23.030 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -24.791 43.525 -23.798 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -24.332 42.944 -22.444 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -29.756 48.465 -22.664 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -30.278 48.290 -21.856 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -29.159 49.201 -22.412 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -26.858 49.225 -28.069 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -26.947 49.830 -28.816 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -26.128 49.610 -27.536 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -23.006 47.445 -35.243 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -22.149 47.844 -35.074 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -23.608 47.891 -34.602 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -22.767 49.828 -25.710 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -23.015 49.516 -24.807 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -21.822 49.672 -25.761 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -23.180 50.934 -31.118 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -23.145 49.976 -31.205 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -23.078 51.263 -32.036 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -26.623 50.688 -35.526 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -26.851 49.834 -35.952 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -25.837 51.001 -36.021 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -29.673 53.517 -20.903 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -28.976 53.265 -20.266 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -29.896 54.446 -20.657 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -28.677 45.421 -29.758 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -28.465 45.249 -30.686 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -29.557 45.856 -29.794 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -23.477 48.954 -23.253 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -23.876 48.057 -23.252 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -23.860 49.388 -22.468 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -25.819 55.927 -32.892 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -25.239 56.699 -32.903 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -26.635 56.237 -33.311 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -26.155 52.189 -20.735 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -26.058 52.807 -21.503 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -25.391 51.581 -20.820 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -26.588 56.548 -28.327 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -26.142 57.324 -28.668 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -26.436 55.860 -29.012 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -26.187 54.691 -30.330 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -25.977 53.732 -30.407 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -26.036 55.040 -31.230 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -27.970 61.315 -34.696 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -28.912 61.181 -34.948 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -27.829 62.259 -34.807 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -30.641 56.921 -22.785 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -31.491 57.353 -22.567 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -30.259 56.700 -21.908 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -23.856 56.815 -37.104 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -24.128 56.719 -38.032 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -24.588 57.315 -36.687 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -24.569 53.983 -34.425 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -25.077 54.137 -35.237 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -24.992 54.569 -33.764 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -23.811 45.394 -20.854 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -23.844 46.126 -21.499 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -23.796 44.593 -21.414 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -27.009 59.194 -33.301 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -27.103 59.432 -32.348 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -27.226 60.032 -33.777 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -24.305 49.027 -33.411 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -23.962 49.929 -33.587 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -25.187 49.183 -33.026 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -31.334 58.159 -18.042 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -32.036 58.693 -18.472 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -31.700 57.249 -18.033 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -24.608 51.786 -37.041 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -23.716 51.887 -36.646 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -24.445 51.282 -37.867 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -27.282 47.484 -21.610 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -27.922 47.224 -22.293 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -27.265 48.463 -21.662 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -23.332 51.554 -33.806 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -22.736 51.563 -34.582 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -23.859 52.378 -33.902 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -27.719 50.204 -22.039 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -27.506 50.435 -22.974 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -27.330 50.934 -21.520 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -21.969 51.907 -36.193 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -21.205 51.769 -36.760 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -21.793 52.779 -35.755 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -24.639 46.470 -23.244 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -25.595 46.481 -23.407 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -24.374 45.545 -23.424 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -26.163 53.791 -22.886 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -26.926 54.404 -22.869 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -26.139 53.475 -23.802 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -25.459 41.870 -21.398 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -26.007 42.658 -21.207 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -25.970 41.381 -22.079 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -24.222 50.149 -20.783 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -23.315 50.204 -20.458 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -24.701 49.652 -20.082 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -22.194 43.082 -17.664 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -21.313 42.691 -17.841 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -22.818 42.325 -17.765 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -23.413 45.527 -18.164 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -23.299 45.493 -19.136 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -23.014 44.686 -17.848 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -33.046 60.767 -28.193 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -32.319 60.437 -27.627 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -33.817 60.799 -27.593 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -32.634 56.708 -27.122 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -32.742 55.751 -27.319 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -33.519 56.992 -26.814 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -28.644 57.470 -18.442 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -29.498 57.768 -18.077 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -28.063 58.259 -18.365 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -30.071 56.085 -20.250 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -30.892 56.087 -19.717 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -29.428 56.596 -19.700 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -29.913 61.556 -30.979 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -30.619 60.899 -30.795 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -30.388 62.328 -31.300 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -30.403 43.248 -25.100 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -31.068 43.098 -25.814 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -30.633 42.587 -24.415 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -29.753 45.366 -32.498 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -28.890 45.045 -32.830 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -30.219 45.673 -33.306 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -28.120 43.015 -26.598 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -27.974 43.947 -26.896 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -28.930 43.068 -26.044 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -30.918 46.291 -34.794 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -30.315 46.732 -35.419 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -31.612 45.904 -35.370 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -29.231 58.062 -34.427 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -29.974 58.482 -33.941 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -28.431 58.374 -33.955 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -29.975 50.214 -13.429 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -29.636 50.470 -12.563 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -30.805 50.746 -13.529 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -15.657 44.507 -7.678 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -14.978 44.470 -8.389 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -15.294 45.145 -7.039 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -24.203 46.916 -9.257 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -23.969 46.191 -9.879 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -23.690 47.687 -9.586 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -28.054 43.870 -4.345 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -28.000 43.027 -3.841 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -28.938 43.839 -4.772 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -29.822 48.076 -5.784 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -29.910 48.996 -5.528 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -29.965 47.579 -4.944 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -17.675 43.294 -9.130 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -17.112 43.176 -9.904 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -17.139 43.849 -8.526 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -19.656 40.690 -13.903 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -20.006 40.253 -13.094 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -20.450 41.086 -14.324 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -18.442 42.088 -3.194 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -18.872 41.674 -2.430 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -17.617 42.464 -2.828 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -23.013 47.636 -16.387 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -23.061 46.903 -17.037 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -23.919 47.990 -16.361 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -25.569 44.947 -7.828 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -25.910 45.369 -7.035 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -25.033 45.642 -8.259 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -25.700 48.519 -16.063 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -25.509 47.982 -15.251 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -26.524 48.998 -15.840 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -32.274 45.147 -9.174 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -32.843 45.926 -9.141 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -31.544 45.356 -8.539 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -30.981 47.628 -13.578 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -30.542 48.494 -13.467 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -30.463 47.026 -13.022 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -24.007 44.940 -11.139 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -23.318 44.833 -11.816 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -24.272 44.030 -10.928 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -28.900 45.505 -11.704 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -28.065 46.003 -11.818 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -28.683 44.838 -11.021 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -22.736 51.938 -9.927 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -22.392 52.556 -10.580 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -22.515 52.339 -9.079 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -25.622 48.915 -18.753 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -26.436 49.469 -18.794 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -25.470 48.794 -17.788 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -32.249 51.721 -13.512 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -32.089 52.648 -13.809 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -33.195 51.715 -13.258 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -29.687 43.401 -1.401 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -29.187 44.238 -1.444 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -29.055 42.729 -1.732 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -22.342 47.431 -13.769 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -22.322 48.323 -13.402 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -22.525 47.566 -14.731 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -23.559 49.346 -10.480 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -23.176 50.232 -10.310 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -24.511 49.462 -10.313 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -20.611 45.364 -13.899 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -21.229 46.114 -13.737 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -20.217 45.566 -14.751 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -25.094 47.142 -13.856 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -25.548 46.888 -13.026 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -24.144 47.069 -13.641 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -14.006 45.765 -2.269 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -14.181 45.196 -3.043 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -13.981 46.658 -2.631 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -27.922 50.123 -15.350 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -27.407 50.761 -14.840 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -28.735 49.993 -14.817 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -27.844 53.147 -18.847 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -27.166 52.817 -19.491 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -27.489 53.998 -18.545 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -28.095 45.558 -2.231 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -27.204 45.794 -1.954 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -27.960 45.036 -3.057 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -25.510 40.787 -1.710 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -25.931 40.240 -1.023 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -24.936 41.410 -1.206 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -14.669 45.184 0.379 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -14.552 45.450 -0.555 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -13.795 44.878 0.648 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -23.868 42.357 -0.206 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -23.070 41.790 -0.329 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -23.547 43.102 0.308 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -10.941 43.206 0.416 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -10.191 43.786 0.158 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -11.485 43.149 -0.396 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -26.166 48.868 -9.587 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -26.898 48.994 -8.972 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -25.627 48.159 -9.181 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -12.411 43.467 -1.949 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -12.683 44.397 -1.874 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -12.833 43.163 -2.762 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -31.522 44.473 -11.705 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -31.678 44.735 -10.771 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -30.596 44.750 -11.877 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -30.607 43.808 -5.447 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -31.209 43.401 -6.077 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -31.039 43.658 -4.571 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -15.959 42.684 -2.184 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -15.428 43.360 -2.635 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -15.506 41.842 -2.404 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -19.897 41.917 -9.813 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -20.609 42.560 -9.943 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -19.138 42.461 -9.480 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -15.465 42.177 -6.273 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -15.692 43.006 -6.743 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -16.327 41.735 -6.136 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -14.473 41.385 -9.043 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -14.209 42.298 -9.274 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -14.674 41.430 -8.090 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -17.922 41.359 -11.776 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -18.703 41.499 -11.213 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -18.294 41.249 -12.672 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -26.377 46.699 -11.459 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -26.325 47.527 -10.946 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -25.681 46.134 -11.074 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -27.916 41.706 -2.645 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -26.982 41.581 -2.369 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -28.199 40.814 -2.924 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -25.525 38.349 -3.091 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -24.687 37.844 -3.080 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -25.273 39.240 -2.769 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -16.686 44.146 1.871 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -17.089 44.805 2.483 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -16.030 44.669 1.350 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -17.889 45.580 3.841 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -17.917 44.896 4.542 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -17.754 46.419 4.331 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -17.485 47.816 5.389 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -17.252 47.874 6.320 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -17.589 48.730 5.111 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -17.893 43.412 5.566 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -18.402 43.172 6.379 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -17.059 42.935 5.662 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -29.078 59.002 -36.932 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -29.017 58.522 -36.076 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -29.574 59.812 -36.709 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -31.388 59.220 -33.220 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -32.011 58.461 -33.209 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -31.518 59.643 -32.348 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -30.605 60.863 -35.365 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -31.411 61.229 -35.791 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -30.950 60.348 -34.607 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -7.240 -17.926 14.497 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -7.851 -17.183 14.586 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -7.661 -18.505 13.855 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -5.419 -23.301 18.443 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -6.296 -22.936 18.700 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -5.548 -24.255 18.453 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -6.446 -15.640 17.893 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -7.173 -15.301 17.338 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -5.933 -16.214 17.288 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -5.119 -17.009 15.928 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -4.603 -17.743 16.330 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -5.787 -17.466 15.365 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -7.812 -22.224 19.245 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -8.625 -21.939 18.814 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -7.443 -21.397 19.635 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -6.587 -20.157 20.605 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -6.696 -19.624 21.419 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -5.787 -19.783 20.184 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -4.242 -21.654 16.593 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -4.620 -22.200 17.315 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -4.286 -22.224 15.821 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -5.479 -14.349 15.264 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -5.260 -15.300 15.364 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -4.741 -13.893 15.674 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -9.911 -13.139 21.951 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -9.206 -13.126 21.264 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -10.119 -14.094 22.064 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -3.643 -19.052 17.060 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -3.910 -19.993 16.913 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -2.737 -19.013 16.741 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -9.230 -17.972 23.950 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -9.021 -18.121 24.898 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -9.398 -18.868 23.601 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -3.754 -21.580 19.929 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -4.326 -22.228 19.479 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -2.853 -21.964 19.854 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -1.293 -22.741 19.656 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -0.930 -23.492 20.135 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -0.574 -22.452 19.086 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -10.352 -15.732 22.828 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -9.838 -16.461 23.244 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -11.251 -16.110 22.729 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -8.117 -14.435 15.956 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -8.156 -13.626 16.506 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -7.251 -14.369 15.494 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -5.686 -14.807 20.291 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -5.875 -15.156 19.381 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -4.907 -14.229 20.173 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -3.710 -13.005 21.104 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -3.477 -13.613 21.833 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -2.847 -12.602 20.844 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -12.320 -12.066 14.138 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -11.763 -12.766 14.554 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -12.717 -12.502 13.378 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -7.996 -12.236 17.627 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -7.119 -11.787 17.656 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -8.603 -11.547 17.329 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -7.215 -19.485 29.205 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -6.783 -19.847 30.001 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -7.203 -20.225 28.572 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -7.972 -16.912 29.922 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -8.771 -17.056 30.474 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -7.674 -17.822 29.689 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -10.019 -22.938 25.057 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -9.981 -23.780 25.530 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -10.956 -22.893 24.728 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -5.845 -13.987 28.091 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -5.862 -14.341 29.005 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -4.935 -14.181 27.773 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -9.753 -20.959 27.004 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -8.899 -21.340 27.317 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -10.015 -21.542 26.267 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -3.737 -17.400 27.051 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -4.453 -18.013 26.741 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -3.616 -17.632 27.980 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -7.410 -18.356 32.756 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -8.165 -18.283 33.384 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -6.963 -17.489 32.826 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -9.456 -17.722 34.426 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -9.194 -16.956 34.973 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -10.435 -17.708 34.447 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -1.975 -16.391 25.094 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -2.492 -16.939 25.721 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -1.172 -16.901 24.939 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -7.362 -21.954 27.751 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -6.862 -22.491 27.120 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -7.142 -22.349 28.632 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -6.388 -14.876 30.816 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -6.983 -15.555 30.426 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -6.322 -15.135 31.753 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -6.061 -20.390 31.584 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -6.574 -19.690 32.059 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -5.172 -20.314 31.948 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -11.174 -20.432 33.780 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -12.014 -20.899 33.942 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -11.367 -19.507 34.018 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -3.623 -14.659 26.749 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -2.692 -14.606 26.486 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -3.798 -15.624 26.805 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -7.207 -23.060 24.687 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -8.160 -23.005 24.879 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -7.165 -23.112 23.708 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -12.773 -21.983 36.838 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -12.880 -22.783 37.406 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -11.851 -22.019 36.553 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -0.818 -10.942 23.399 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -0.164 -10.251 23.594 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -1.557 -10.742 23.987 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -3.943 -12.480 24.966 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -3.929 -13.082 25.732 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -3.626 -13.028 24.228 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -8.569 -15.398 35.647 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -7.871 -15.287 36.309 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -9.147 -14.636 35.781 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -14.508 -24.194 26.229 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -14.452 -25.103 25.853 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -14.930 -24.326 27.105 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -14.505 -26.800 25.435 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -13.872 -27.524 25.406 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -15.349 -27.212 25.220 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -5.763 -19.023 26.357 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -5.640 -19.851 25.849 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -6.734 -18.952 26.470 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -11.061 -17.246 28.569 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -10.952 -17.041 29.519 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -11.276 -18.195 28.558 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -4.018 -16.656 21.464 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -4.755 -16.170 21.046 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -3.995 -17.512 20.982 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -6.668 -22.750 30.251 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -6.609 -23.478 30.875 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -6.445 -21.957 30.783 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -8.900 -15.816 27.578 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -8.445 -15.999 28.423 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -9.821 -16.099 27.740 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -8.918 -20.749 23.447 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -8.470 -21.357 22.826 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -9.441 -21.337 24.018 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -8.527 -18.557 26.524 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -8.717 -17.887 27.205 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -9.047 -19.341 26.806 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -3.163 -14.787 23.227 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -3.531 -15.498 22.648 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -2.717 -15.280 23.952 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -9.666 -19.970 31.566 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -8.785 -19.736 31.901 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -10.144 -20.308 32.361 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -7.310 -22.501 21.995 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -6.744 -21.770 21.674 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -7.621 -22.930 21.179 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -1.220 -14.940 21.049 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -1.606 -14.977 21.935 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -1.530 -15.746 20.622 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -6.642 -19.175 23.182 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -7.494 -19.607 23.403 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -5.975 -19.701 23.668 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -4.195 -18.889 19.796 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -3.907 -19.818 19.952 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -4.054 -18.756 18.835 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -5.309 -21.115 24.646 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -4.504 -21.538 24.322 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -5.941 -21.860 24.764 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -11.073 -20.017 29.177 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -10.563 -20.403 28.431 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -10.446 -20.041 29.936 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -6.745 -15.697 33.607 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -7.516 -15.721 34.208 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -6.189 -14.974 33.970 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -8.192 -10.315 32.557 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -7.624 -9.585 32.253 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -7.596 -11.088 32.577 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -5.763 -13.381 34.676 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -5.249 -12.710 35.130 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -6.017 -12.955 33.825 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -10.404 -17.373 31.239 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -10.856 -17.112 32.051 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -10.214 -18.327 31.368 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -9.165 -12.551 29.501 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -9.746 -12.700 30.277 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -9.521 -13.146 28.818 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -5.536 -1.435 16.511 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -5.318 -0.795 15.791 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -6.519 -1.401 16.559 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -5.574 0.490 14.590 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -5.660 1.401 14.961 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -5.477 0.632 13.644 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 1.986 1.684 20.472 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 2.730 1.873 21.083 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 1.779 2.551 20.074 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -0.090 -6.388 19.555 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 0.041 -5.546 19.075 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -0.889 -6.784 19.129 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -2.297 0.921 16.195 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -2.386 -0.024 16.439 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -2.060 0.903 15.265 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -5.605 -1.278 19.283 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -6.303 -0.613 19.447 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -5.535 -1.314 18.309 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -8.147 -0.943 16.481 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -9.062 -0.976 16.855 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -8.265 -0.557 15.603 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -7.585 0.633 18.722 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -8.443 0.658 19.164 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -7.758 0.140 17.893 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -7.992 4.531 17.547 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -7.285 3.913 17.834 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -7.582 5.040 16.819 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 1.852 -5.915 23.318 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 1.167 -5.222 23.300 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 2.147 -5.985 22.386 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -11.583 1.956 18.063 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -11.500 1.970 19.040 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -12.502 2.253 17.894 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -5.618 -10.930 18.033 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -4.871 -10.370 17.780 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -5.570 -10.970 19.008 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 2.467 -6.133 20.655 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 3.054 -6.807 20.291 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 1.589 -6.340 20.264 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -1.861 -5.360 21.738 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -1.232 -5.689 21.074 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -1.306 -5.185 22.527 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -1.972 -4.245 17.064 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -1.587 -4.695 16.305 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -1.200 -4.054 17.647 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 2.748 10.032 21.780 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 2.351 9.941 20.884 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 3.465 10.666 21.657 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -10.535 -0.616 17.601 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -11.018 0.227 17.729 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -11.085 -1.283 18.056 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -3.117 -0.155 19.441 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -2.829 -0.702 18.679 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -3.973 -0.556 19.709 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -4.809 -3.539 20.669 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -5.198 -2.761 20.213 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -4.569 -4.144 19.945 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 0.149 -1.923 23.454 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 0.070 -2.892 23.436 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 0.647 -1.709 22.647 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -5.917 2.846 18.278 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -4.978 2.618 18.452 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -6.417 2.052 18.574 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 2.510 -2.029 18.366 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 2.607 -1.304 17.733 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 3.365 -2.480 18.344 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -1.494 4.418 18.951 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -2.033 3.649 18.671 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -2.132 5.153 18.979 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -10.438 3.897 16.391 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -9.609 4.095 16.874 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -10.797 3.109 16.847 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -2.367 -7.406 18.503 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -3.071 -6.721 18.520 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -2.669 -8.044 17.824 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -9.145 4.958 20.096 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -8.912 4.275 20.754 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -8.734 4.643 19.266 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -12.814 -0.865 20.772 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -12.893 -1.543 21.480 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -13.657 -0.387 20.808 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 1.685 -1.078 20.866 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 1.745 -0.096 20.854 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 1.965 -1.342 19.968 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -11.857 -2.664 18.969 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -12.665 -3.174 18.840 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -12.096 -2.008 19.662 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -6.531 -4.120 17.792 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -6.294 -3.340 17.267 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -7.500 -4.076 17.858 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -9.715 -4.476 18.547 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -10.261 -4.987 17.941 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -10.300 -3.747 18.839 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -2.853 -1.634 17.069 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -2.557 -2.568 17.059 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -3.800 -1.681 16.822 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 0.701 -8.399 23.759 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 1.299 -7.636 23.630 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 0.238 -8.489 22.892 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 0.236 -3.762 18.618 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 0.891 -3.106 18.310 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 0.288 -3.704 19.597 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -7.619 -5.887 19.769 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -6.920 -5.440 19.272 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -8.440 -5.464 19.457 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -5.822 -11.341 20.791 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -5.080 -11.966 20.982 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -6.609 -11.922 20.712 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -4.122 -5.269 18.466 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -3.431 -4.809 17.944 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -4.967 -4.937 18.093 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -3.188 -9.217 16.569 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -3.540 -8.925 15.719 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -2.586 -9.937 16.343 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -0.484 -8.655 21.364 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -0.655 -9.556 21.048 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -0.430 -8.123 20.555 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -12.901 -8.280 19.460 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -11.975 -8.379 19.720 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -12.864 -8.144 18.478 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -7.838 -13.137 20.221 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -7.189 -13.875 20.213 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -7.992 -12.943 19.266 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 3.767 2.210 22.485 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 4.699 2.278 22.725 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 3.385 1.606 23.171 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 4.406 -2.986 25.991 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 4.091 -3.877 25.700 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 5.352 -2.967 25.719 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -11.196 1.450 20.803 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -11.544 0.537 20.788 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -11.682 1.877 21.546 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -5.796 3.036 15.517 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -5.733 2.999 16.491 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -6.054 3.956 15.329 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -3.707 5.009 21.841 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -2.789 5.315 21.966 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -3.906 5.235 20.910 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -13.006 6.516 18.419 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -13.725 7.177 18.379 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -13.141 5.968 17.621 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -6.792 5.720 15.272 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -6.740 6.642 15.606 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -6.570 5.805 14.313 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -3.162 2.297 18.351 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -3.145 1.433 18.814 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -2.828 2.084 17.447 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -9.383 5.255 14.161 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -9.912 4.697 14.763 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -8.512 5.305 14.588 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -10.910 -10.613 22.208 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -10.449 -11.462 22.045 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -10.404 -10.204 22.932 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -1.149 -12.104 20.878 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -0.876 -11.833 21.781 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -0.859 -13.036 20.809 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 1.079 4.371 19.955 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 0.228 4.312 19.463 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 1.289 5.331 19.949 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -2.194 0.434 27.244 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -1.720 0.820 28.022 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -1.486 -0.023 26.736 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -2.902 -4.643 26.168 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -2.285 -4.289 26.846 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -2.989 -5.592 26.398 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 1.594 3.353 28.573 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 1.735 2.512 29.059 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 2.407 3.871 28.741 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -0.691 -4.011 30.762 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 0.270 -3.945 30.651 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -0.965 -3.115 31.039 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 1.550 -4.527 28.421 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 2.315 -3.918 28.483 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 1.928 -5.351 28.058 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -9.702 -7.243 30.964 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -9.794 -8.216 30.803 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -10.436 -6.852 30.446 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -0.949 -8.565 30.701 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -1.539 -7.791 30.702 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -1.091 -8.974 31.575 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -15.130 -1.416 23.698 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -15.191 -1.025 24.591 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -15.659 -0.807 23.132 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 3.533 5.458 28.703 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 4.389 5.702 29.073 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 2.913 6.130 29.068 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -6.889 -11.536 28.474 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -7.736 -11.795 28.912 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -6.415 -12.388 28.352 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -3.126 2.666 25.913 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -3.041 1.848 26.442 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -2.215 3.030 25.890 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -1.282 1.338 29.598 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -0.333 1.519 29.730 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -1.667 1.411 30.493 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -0.083 -0.773 25.932 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 0.887 -0.784 26.097 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -0.175 -1.206 25.053 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -0.110 5.290 29.644 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 0.553 6.001 29.556 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 0.299 4.527 29.186 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -8.582 0.702 31.704 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -8.430 0.017 32.397 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -8.065 1.476 32.013 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -3.673 -3.490 23.133 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -2.803 -3.838 22.886 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -4.142 -3.390 22.272 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -6.798 -4.423 36.497 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -7.411 -4.074 35.807 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -7.268 -4.267 37.323 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -5.129 -4.850 34.304 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -5.685 -4.757 35.105 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -4.335 -5.308 34.620 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 2.633 0.866 24.523 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 2.685 0.156 25.193 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 2.287 1.639 25.020 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -9.538 -5.139 32.690 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -9.438 -5.923 32.107 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -10.364 -5.321 33.191 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -12.059 1.476 31.341 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -11.330 1.081 30.824 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -12.473 2.109 30.720 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -0.702 2.752 33.096 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -0.237 3.047 33.885 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -1.014 3.583 32.675 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -8.862 -2.913 31.242 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -8.539 -2.321 31.950 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -9.144 -3.726 31.722 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -9.985 -9.752 30.134 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -9.481 -10.504 30.478 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -10.479 -10.123 29.375 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -0.709 -4.718 24.144 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -1.434 -4.316 24.658 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -0.423 -5.479 24.698 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -2.727 -7.337 26.696 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -2.935 -8.161 26.209 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -1.782 -7.166 26.484 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -11.795 -5.893 34.059 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -11.671 -6.796 34.392 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -12.682 -5.917 33.640 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -2.453 -6.090 30.929 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -1.656 -5.516 30.935 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -2.502 -6.440 31.856 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -1.253 -9.734 33.228 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -1.798 -10.531 33.194 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -0.420 -10.030 33.614 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -7.711 -1.362 33.250 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -6.778 -1.668 33.146 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -8.061 -1.913 33.981 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -4.273 -6.446 28.818 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -3.745 -6.856 28.099 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -3.652 -6.401 29.575 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -6.994 -8.062 31.236 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -6.516 -7.246 31.511 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -7.932 -7.791 31.212 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -2.477 1.010 32.078 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -3.231 1.613 32.192 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -1.739 1.460 32.554 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -14.333 -6.409 33.118 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -15.215 -6.845 33.122 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -14.539 -5.450 33.190 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 1.495 0.799 29.753 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 2.170 0.379 30.297 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 0.991 0.049 29.375 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 1.753 3.072 25.851 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 2.323 3.856 25.659 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 1.688 3.062 26.832 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -1.056 -3.899 28.063 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -1.235 -4.132 28.995 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -0.135 -4.214 27.914 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -13.101 -2.821 22.683 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -13.883 -2.361 23.085 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -13.224 -3.747 22.926 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -2.018 -1.510 30.848 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -2.223 -0.729 31.409 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -1.440 -1.154 30.145 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -12.827 -12.402 29.874 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -13.544 -12.998 30.198 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -12.121 -12.491 30.552 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 2.561 -1.056 26.522 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 3.195 -1.676 26.093 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 2.617 -1.281 27.464 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -10.097 0.797 29.465 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -9.761 1.538 28.947 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -9.497 0.756 30.247 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -2.184 -7.119 33.392 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -2.161 -6.805 34.324 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -1.900 -8.052 33.448 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -0.101 -1.358 28.659 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -0.060 -1.017 27.744 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -0.361 -2.296 28.546 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -14.631 -9.148 22.337 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -15.414 -8.555 22.379 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -13.901 -8.560 22.100 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 3.176 5.376 25.898 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 3.344 5.484 26.855 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 3.138 6.279 25.559 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 1.888 4.223 22.591 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 2.670 3.634 22.664 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 1.754 4.323 21.625 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -5.332 -2.557 32.803 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -4.795 -2.891 32.058 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -5.252 -3.259 33.482 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -5.881 -5.623 31.755 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -5.776 -5.456 32.715 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -5.212 -5.053 31.344 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 1.117 -3.758 21.220 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 1.880 -4.342 21.050 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 1.497 -2.855 21.218 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -2.195 -6.242 35.953 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -3.018 -6.119 36.477 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -1.526 -5.764 36.449 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -6.354 -12.417 32.213 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -6.487 -13.167 31.598 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -5.936 -11.720 31.653 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -3.861 -3.708 30.853 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -3.341 -4.537 30.796 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -3.184 -3.000 30.817 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -4.488 -5.733 37.314 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -4.664 -6.007 38.219 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -5.288 -5.227 37.057 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -15.146 3.410 22.334 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -15.832 3.511 23.027 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -15.520 2.753 21.727 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -12.608 0.788 25.288 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -12.097 0.084 24.815 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -11.929 1.306 25.743 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -10.368 4.578 29.609 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -10.107 4.291 28.705 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -11.247 4.159 29.750 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 3.451 -5.437 25.454 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 2.974 -5.623 24.618 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 3.012 -6.009 26.109 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 3.670 -2.745 28.591 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 4.006 -2.854 27.670 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 4.465 -2.727 29.133 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -9.194 -1.839 28.798 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -9.190 -2.138 29.738 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -9.668 -0.986 28.823 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -0.179 -6.855 25.797 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 0.588 -6.823 26.396 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 0.071 -7.528 25.124 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 7.080 -2.948 25.447 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 7.532 -3.023 24.601 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 7.791 -2.881 26.092 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 2.290 -7.027 27.360 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 3.104 -7.533 27.483 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 1.590 -7.599 27.770 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -0.799 4.007 26.027 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -0.557 4.942 26.226 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 0.066 3.555 25.925 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -10.801 -10.703 33.382 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -9.897 -10.373 33.176 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -11.335 -9.892 33.491 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -8.686 -3.503 34.746 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -8.769 -4.166 34.026 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -9.620 -3.270 34.959 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -1.687 4.970 31.822 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -1.158 5.040 30.986 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -1.812 5.884 32.097 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -11.974 6.324 32.643 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -12.135 5.354 32.701 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -11.401 6.513 33.394 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -7.834 4.826 30.646 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -7.818 5.783 30.785 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -8.751 4.643 30.337 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -5.226 5.285 29.739 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -5.401 6.250 29.720 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -6.106 4.890 29.874 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -4.029 3.484 31.467 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -4.376 4.062 30.751 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -3.184 3.905 31.718 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -12.348 3.624 33.068 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -12.224 3.302 33.968 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -12.258 2.819 32.511 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -5.613 -10.366 30.622 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -5.966 -10.653 29.757 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -5.991 -9.471 30.749 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 0.358 -8.613 28.320 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 0.009 -8.585 29.243 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -0.326 -9.078 27.827 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -3.500 -9.678 25.300 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -4.363 -9.267 25.498 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -3.691 -10.638 25.268 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 5.783 8.155 23.584 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 6.439 8.307 24.273 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 6.304 7.950 22.801 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -12.125 24.851 -15.125 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -12.470 24.456 -15.937 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -11.144 24.837 -15.251 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -5.991 22.142 -16.685 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -5.041 22.033 -16.532 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -6.360 21.244 -16.539 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -7.196 16.494 -13.490 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -6.244 16.699 -13.421 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -7.369 16.485 -14.451 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -4.623 14.399 -14.328 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -5.265 14.180 -15.033 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -4.975 13.945 -13.537 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -3.547 14.227 -6.487 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -3.986 14.769 -5.794 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -3.299 13.402 -6.018 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 1.056 19.520 -10.600 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 1.166 18.836 -9.907 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 0.543 19.074 -11.294 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -7.873 14.936 -4.225 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -8.274 14.152 -3.828 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -8.000 14.807 -5.193 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -0.077 23.551 -7.572 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -0.161 22.621 -7.859 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -0.561 24.053 -8.255 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 0.703 14.267 -6.727 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 0.050 14.430 -7.436 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 0.502 13.352 -6.431 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -7.865 11.880 -6.712 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -7.712 11.617 -7.632 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -7.968 12.852 -6.758 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -1.252 11.719 -9.040 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -1.848 11.078 -9.441 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -0.476 11.740 -9.654 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -12.638 13.148 -4.512 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -12.689 13.892 -5.138 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -13.275 13.387 -3.812 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -5.340 17.537 -6.732 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -5.212 16.682 -6.298 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -5.763 17.314 -7.591 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -10.211 13.947 -0.957 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -9.289 13.817 -1.267 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -10.627 13.056 -1.074 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -8.049 11.808 -3.994 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -7.961 11.791 -4.976 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -8.988 11.558 -3.837 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -8.500 19.286 -10.831 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -7.959 20.031 -11.162 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -9.363 19.405 -11.277 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -3.354 17.484 -9.321 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -3.363 17.788 -8.401 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -2.954 18.234 -9.816 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -0.507 20.909 -8.780 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 0.311 20.617 -9.228 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -1.220 20.617 -9.383 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -0.816 18.113 -12.210 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -1.437 18.683 -11.681 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -0.685 17.319 -11.645 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 0.758 17.126 -4.381 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 0.939 17.916 -3.814 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 1.521 17.089 -4.991 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -6.619 13.668 -16.131 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -6.515 13.063 -16.873 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -6.902 13.085 -15.383 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -0.436 16.074 -10.365 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 0.196 16.597 -9.831 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -0.911 15.530 -9.701 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -4.137 10.051 -1.472 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -3.598 9.289 -1.698 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -4.593 10.280 -2.306 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -2.232 14.855 -12.066 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -1.891 14.397 -12.855 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -1.429 15.149 -11.592 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -9.319 14.593 -9.356 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -8.986 15.261 -10.005 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -10.266 14.549 -9.532 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 4.884 24.751 4.554 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 4.360 24.521 3.750 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 5.712 24.274 4.441 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -4.183 22.977 -13.453 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -4.001 22.228 -12.825 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -4.304 22.542 -14.310 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -2.570 25.113 -12.974 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -3.032 24.254 -13.116 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -2.800 25.635 -13.751 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -1.410 20.711 -13.538 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -2.144 20.775 -12.878 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -0.979 19.868 -13.327 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 0.279 10.447 -13.469 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -0.064 10.955 -14.240 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 0.375 9.552 -13.804 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -6.012 15.230 -1.226 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -5.864 16.197 -1.347 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -5.172 14.907 -0.831 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -8.038 14.606 -6.928 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -8.636 14.732 -7.696 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -7.138 14.739 -7.305 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -4.380 15.287 -10.523 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -4.081 16.120 -10.079 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -3.594 15.007 -11.051 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -3.740 14.324 0.005 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -4.009 13.391 0.169 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -3.424 14.634 0.882 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -0.634 11.943 -6.294 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -1.458 11.825 -5.787 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -0.874 11.688 -7.206 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -5.610 17.897 -1.256 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -5.875 18.714 -0.802 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -5.508 18.173 -2.202 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -3.252 14.157 -2.798 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -3.295 14.240 -1.822 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -2.383 14.562 -3.037 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -5.411 10.662 -3.939 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -5.643 10.107 -4.694 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -6.243 11.132 -3.724 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -7.237 12.680 -9.502 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -6.622 13.247 -8.990 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -8.058 13.207 -9.557 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -6.976 12.035 -13.989 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -7.449 11.284 -13.617 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -6.528 12.446 -13.213 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 3.774 20.378 -2.010 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 3.502 21.287 -2.286 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 4.697 20.314 -2.283 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -3.054 12.173 -4.678 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -3.775 11.586 -4.383 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -3.016 12.871 -3.984 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -5.109 15.387 -4.533 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -4.561 15.039 -3.796 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -6.031 15.268 -4.224 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 0.969 17.654 -8.577 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 1.721 17.380 -8.016 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 0.204 17.649 -7.962 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 0.626 11.548 -10.988 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 1.558 11.762 -11.063 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 0.401 11.147 -11.860 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -7.236 16.224 1.104 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -6.965 15.844 0.246 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -8.063 15.753 1.324 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -0.868 17.125 -6.571 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -0.403 17.162 -5.704 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -1.173 16.208 -6.636 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -5.937 23.768 -11.460 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -6.515 22.986 -11.462 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -5.365 23.639 -12.239 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -0.709 11.707 -15.681 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -1.166 12.481 -15.278 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -0.613 11.947 -16.605 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -0.008 21.761 -2.286 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -0.253 22.430 -2.960 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -0.667 21.886 -1.579 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -11.102 11.461 -1.327 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -11.133 11.021 -2.194 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -11.715 10.946 -0.769 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -0.821 16.491 -14.487 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 0.013 16.801 -14.849 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -0.974 17.066 -13.711 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -6.552 19.519 -16.166 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -6.249 19.481 -15.236 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -5.784 19.186 -16.681 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -6.855 17.387 -9.033 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -7.175 18.251 -9.336 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -7.212 16.762 -9.687 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -5.632 14.491 -8.225 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -5.232 14.868 -9.044 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -4.862 14.333 -7.635 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -4.607 11.832 0.590 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -4.392 11.121 -0.059 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -4.304 11.471 1.457 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -5.090 19.581 -13.776 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -4.601 19.998 -13.017 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -4.905 18.616 -13.676 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 2.416 16.353 -6.551 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 1.784 15.593 -6.593 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 3.282 15.937 -6.535 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -7.226 21.261 -12.402 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -7.969 21.405 -13.035 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -6.574 20.753 -12.912 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 1.508 23.240 -5.092 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 1.304 23.300 -6.039 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 0.687 23.545 -4.654 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -1.904 13.962 -14.741 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -1.530 14.868 -14.795 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -2.869 14.108 -14.634 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -9.128 18.550 -16.344 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -8.858 17.615 -16.312 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -8.281 19.041 -16.313 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -4.435 16.949 -13.414 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -4.356 16.078 -13.867 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -3.894 16.847 -12.617 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -5.796 13.292 -11.868 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -6.295 12.892 -11.128 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -5.323 14.046 -11.453 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -7.429 16.288 -16.242 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -6.833 16.649 -16.907 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -7.231 15.325 -16.238 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -3.513 18.742 0.472 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -3.058 18.038 0.978 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -4.023 18.260 -0.206 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -7.706 13.139 -1.555 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -7.043 13.864 -1.645 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -7.642 12.645 -2.397 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -0.838 14.978 -3.791 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -0.296 15.795 -3.830 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -0.285 14.309 -4.212 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -9.341 14.506 1.537 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -8.689 13.788 1.639 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -9.694 14.380 0.625 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -13.499 10.164 3.293 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -12.752 9.972 3.915 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -14.182 9.532 3.545 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -4.128 19.013 -17.324 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -3.589 18.961 -18.119 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -3.691 19.698 -16.782 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -8.470 16.495 -11.110 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -8.550 17.471 -11.038 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -8.029 16.357 -11.984 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 2.564 22.707 -2.565 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 1.668 22.359 -2.376 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 2.492 23.055 -3.482 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 0.111 19.203 1.741 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 0.744 19.601 2.369 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -0.578 19.890 1.626 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -2.255 19.354 -7.227 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -1.577 19.944 -7.610 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -1.752 18.560 -6.947 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -1.500 14.408 -8.369 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -1.459 13.486 -8.705 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -2.289 14.415 -7.786 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -13.763 15.578 -5.340 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -14.000 15.413 -4.407 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -14.538 16.050 -5.704 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 1.305 19.354 -2.901 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 2.201 19.642 -2.645 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 0.744 20.139 -2.732 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -12.857 10.626 0.679 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -13.021 10.325 1.600 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -13.731 10.864 0.351 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -10.767 11.202 -4.161 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -10.929 10.665 -4.943 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -11.416 11.944 -4.241 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 0.287 22.700 -12.095 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 0.776 22.049 -11.574 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -0.237 22.164 -12.715 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -0.754 24.004 -3.807 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -0.802 24.983 -3.779 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -1.680 23.725 -3.993 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -9.386 21.297 -14.053 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -9.848 21.283 -14.911 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -9.881 20.653 -13.506 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -3.464 20.991 -15.473 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -2.599 21.026 -15.008 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -4.023 20.425 -14.895 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -10.926 20.598 -16.292 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -11.784 20.169 -16.211 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -10.289 19.848 -16.394 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 2.352 20.456 0.346 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 2.881 20.252 -0.457 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 1.630 19.801 0.329 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -7.436 18.061 8.949 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -8.368 17.814 8.775 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -7.438 18.345 9.887 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -6.488 16.020 13.009 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -5.802 15.466 13.443 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -6.492 15.710 12.079 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -9.214 20.097 14.034 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -9.291 19.131 13.933 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -9.051 20.220 14.997 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -11.739 12.360 6.147 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -12.034 12.552 7.064 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -12.445 12.728 5.590 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -14.006 15.510 8.326 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -13.443 16.219 7.955 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -14.800 15.508 7.748 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -1.716 17.274 11.731 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -1.117 17.596 11.032 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -2.591 17.330 11.335 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -7.849 18.795 11.664 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -8.108 19.646 12.044 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -8.186 18.139 12.301 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -7.129 11.418 8.228 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -6.183 11.651 8.290 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -7.215 11.024 7.335 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -10.845 12.836 10.387 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -11.394 12.638 11.168 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -11.482 12.854 9.647 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -7.194 12.884 12.512 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -7.043 12.067 12.024 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -7.031 13.587 11.856 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -6.950 8.438 15.832 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -6.629 9.368 15.820 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -7.816 8.486 15.362 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -4.412 20.335 8.014 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -5.288 20.740 7.977 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -3.837 21.046 8.389 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -8.828 17.189 13.781 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -9.440 16.456 13.978 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -7.967 16.742 13.618 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -8.405 13.589 9.338 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -9.274 13.369 9.748 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -8.090 12.732 8.968 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -0.549 18.613 9.423 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -0.292 18.555 8.468 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -0.064 19.377 9.750 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -0.155 18.753 6.770 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -0.694 18.174 6.203 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 0.046 19.529 6.203 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -5.604 18.107 6.929 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -5.038 18.849 7.215 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -6.257 18.009 7.663 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -3.106 15.074 2.581 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -2.517 15.866 2.515 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -2.863 14.667 3.424 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -3.062 17.952 8.597 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -2.159 18.198 8.899 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -3.532 18.810 8.526 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -10.173 17.534 8.740 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -10.967 17.538 8.173 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -10.484 17.186 9.583 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -8.203 13.397 14.954 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -7.840 13.191 14.058 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -9.006 13.929 14.768 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -4.808 18.129 13.738 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -5.482 17.476 13.456 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -5.247 18.980 13.634 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -2.456 17.214 5.966 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -2.799 17.930 5.385 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -2.711 17.493 6.869 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -3.217 22.532 9.035 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -2.960 23.050 8.243 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -3.362 23.198 9.714 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -11.002 20.225 18.526 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -11.754 19.796 18.070 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -11.356 21.106 18.797 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 2.099 20.597 3.071 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 2.954 20.519 3.508 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 2.323 20.692 2.118 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -12.404 20.007 14.500 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -11.959 20.772 14.098 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -13.360 20.226 14.439 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -6.534 6.270 12.608 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -6.127 6.125 11.749 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -7.409 6.658 12.396 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -4.018 5.763 19.212 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -4.390 6.606 18.862 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -4.480 5.077 18.713 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -1.913 17.461 2.359 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -1.068 17.898 2.109 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -2.262 18.016 3.088 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -4.133 11.172 3.214 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -3.955 10.341 3.663 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -4.314 11.803 3.943 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -6.412 11.100 15.626 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -7.018 11.855 15.504 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -5.729 11.437 16.256 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -6.280 14.753 10.548 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -7.104 14.465 10.087 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -5.746 15.175 9.835 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -4.321 15.231 5.906 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -3.568 15.858 5.844 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -4.575 15.258 6.853 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -1.568 16.409 16.986 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -0.949 17.148 16.993 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -1.962 16.435 16.083 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -4.353 15.526 8.729 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -3.683 14.993 9.187 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -3.957 16.425 8.682 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -7.124 12.695 1.099 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -6.191 12.387 0.997 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -7.449 12.767 0.173 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -13.668 12.884 3.883 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -12.915 13.377 3.485 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -13.533 11.958 3.589 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -4.368 14.735 14.204 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -3.628 15.365 14.334 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -3.932 13.920 13.870 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -4.409 12.011 8.323 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -4.213 12.654 9.042 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -3.884 11.235 8.552 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -7.514 14.619 6.869 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -8.067 13.993 6.351 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -7.772 14.452 7.794 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -6.764 14.153 3.488 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -6.756 13.702 2.625 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -7.349 13.608 4.037 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -5.148 16.886 2.618 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -5.862 16.592 1.998 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -4.462 16.189 2.541 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -3.797 13.378 10.630 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -3.424 13.084 11.486 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -4.639 13.808 10.872 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -9.065 13.059 5.303 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -8.841 12.342 4.679 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -9.963 12.832 5.616 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -3.142 12.447 13.284 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -3.747 11.669 13.273 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -2.598 12.314 14.086 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -2.484 16.775 14.373 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -3.270 17.357 14.252 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -1.995 16.859 13.523 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -10.510 14.943 14.550 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -11.139 15.700 14.486 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -11.047 14.224 14.933 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -4.142 23.323 4.401 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -4.597 24.129 4.667 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -4.855 22.767 4.001 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 0.352 21.014 5.175 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -0.503 21.288 4.775 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 0.956 20.918 4.410 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -2.016 21.617 3.949 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -2.688 22.315 4.105 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -2.048 21.461 2.978 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 3.090 23.131 0.164 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 2.813 22.202 0.275 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 3.031 23.282 -0.800 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -3.158 19.131 4.179 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -2.748 20.018 4.273 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -3.983 19.302 3.684 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -13.116 19.230 17.006 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -12.662 19.545 16.190 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -13.779 18.598 16.673 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -4.935 10.374 13.436 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -5.071 9.422 13.416 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -5.527 10.686 14.155 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -6.237 21.963 3.302 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -7.216 21.996 3.272 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -6.018 21.033 3.066 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -4.637 12.539 5.579 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -4.646 13.520 5.510 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -4.501 12.371 6.536 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -1.896 12.186 15.906 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -1.583 12.869 16.538 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -1.205 11.511 15.929 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -8.193 11.370 3.321 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -9.119 11.283 2.996 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -7.685 11.601 2.520 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -10.708 11.744 2.327 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -11.056 12.651 2.365 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -11.207 11.328 1.603 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -9.162 7.109 12.223 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -9.383 6.396 12.875 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -9.797 6.981 11.509 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -12.241 22.409 19.521 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -12.049 23.155 20.113 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -13.125 22.106 19.801 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -6.279 19.336 19.927 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -5.824 18.639 20.446 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -5.852 19.304 19.068 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -6.248 14.757 16.243 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -5.565 14.794 15.543 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -7.022 14.353 15.798 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -2.051 20.847 1.372 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -2.033 21.522 0.661 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -2.599 20.118 0.995 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -5.369 19.560 2.382 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -4.834 19.628 1.568 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -5.461 18.591 2.522 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -0.852 13.841 17.867 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -1.051 14.763 17.597 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -1.101 13.810 18.815 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -4.362 11.833 17.242 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -4.446 12.647 17.778 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -3.492 11.924 16.803 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -1.800 13.773 20.526 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -2.222 13.530 21.383 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -2.257 14.597 20.263 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -5.228 7.982 18.115 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -5.868 7.999 17.379 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -4.758 8.823 18.038 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 1.443 9.787 19.363 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 0.829 10.429 19.796 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 1.516 10.117 18.449 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 0.946 11.771 17.245 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 0.374 12.438 17.676 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 1.529 12.288 16.683 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -12.695 17.814 7.370 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -13.131 18.462 7.938 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -12.896 18.118 6.461 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -14.479 14.598 10.985 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -14.306 14.978 10.097 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -14.874 15.347 11.492 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -9.164 8.973 14.273 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -9.165 8.369 13.499 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -9.439 9.823 13.910 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -12.957 12.487 12.139 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -13.774 12.000 11.932 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -13.150 13.402 11.853 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 2.137 27.548 6.631 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 2.173 26.693 6.161 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 1.265 27.922 6.379 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -12.602 7.715 14.948 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -11.913 8.364 14.758 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -13.391 8.255 15.137 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -14.673 21.361 17.723 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -14.023 20.646 17.554 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -14.794 21.347 18.698 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -8.892 19.972 16.762 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -9.642 20.163 17.365 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -8.269 19.488 17.310 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -10.816 22.458 13.632 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -10.322 23.060 13.040 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -10.212 21.697 13.756 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -9.171 24.417 12.377 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -8.693 24.735 13.150 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -8.501 24.441 11.656 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -6.970 24.928 10.748 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -6.319 24.835 10.038 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -6.943 25.881 10.975 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -6.702 10.697 5.586 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -7.211 10.775 4.756 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -5.996 11.368 5.499 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -0.080 23.668 6.107 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 0.206 22.749 5.944 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 0.707 24.206 5.886 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -1.146 6.123 21.943 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -0.601 6.209 21.140 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -0.501 6.236 22.680 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 1.279 11.847 25.807 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 0.331 11.905 26.063 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 1.668 12.657 26.154 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -12.514 10.936 32.085 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -12.911 10.119 32.465 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -13.217 11.306 31.535 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -11.270 13.284 29.348 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -10.946 12.416 29.018 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -10.476 13.705 29.735 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -8.893 8.423 28.854 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -9.542 8.018 29.471 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -9.270 9.306 28.663 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -2.036 10.660 23.955 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -2.363 9.801 23.605 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -1.107 10.711 23.628 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -10.635 10.628 28.792 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -10.474 10.673 29.761 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -11.384 10.000 28.699 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -6.153 10.409 30.775 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -5.268 10.796 30.752 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -6.743 11.152 30.520 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 1.157 8.859 27.367 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 1.356 9.690 26.904 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 0.338 9.054 27.874 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -8.134 9.239 32.348 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -7.730 8.706 33.037 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -7.378 9.549 31.809 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -11.003 19.371 23.773 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -10.557 19.685 22.957 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -11.802 19.924 23.829 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -6.329 7.810 29.701 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -7.205 7.988 29.298 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -6.062 8.674 30.074 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -4.955 11.492 26.508 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -5.209 11.995 27.322 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -4.919 12.175 25.809 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -9.637 16.765 28.128 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -9.445 17.369 27.382 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -10.564 16.489 27.979 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -7.876 12.609 30.279 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -8.601 12.069 30.667 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -8.252 13.515 30.239 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -2.933 13.083 22.951 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -2.654 12.199 23.260 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -3.544 13.395 23.641 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 3.028 7.972 23.562 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 4.001 7.943 23.684 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 2.887 8.753 22.988 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -9.205 6.680 26.685 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -9.331 5.753 26.974 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -9.023 7.166 27.509 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -9.890 11.073 31.352 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -10.765 11.080 31.806 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -9.368 10.395 31.843 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -1.412 11.952 26.246 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -1.972 12.739 26.264 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -1.695 11.474 25.431 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -2.854 10.081 27.643 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -3.698 10.448 27.313 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -2.179 10.698 27.296 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -6.542 9.304 26.756 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -6.030 10.126 26.579 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -7.353 9.616 27.176 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -1.067 8.485 28.929 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -1.310 7.585 28.678 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -1.817 9.037 28.609 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -5.673 12.966 28.627 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -6.491 12.955 29.165 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -5.612 13.888 28.299 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -5.226 15.364 27.384 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -5.920 15.900 26.922 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -4.753 16.007 27.923 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -2.653 8.365 22.566 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -2.108 7.569 22.408 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -2.913 8.651 21.684 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 0.039 11.733 20.633 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -0.594 12.479 20.568 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 0.123 11.574 21.592 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -9.190 15.015 30.180 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -9.244 15.623 29.401 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -9.071 15.609 30.931 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -4.770 13.872 25.015 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -5.244 14.439 24.390 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -4.856 14.339 25.873 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -6.854 16.906 25.924 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -7.673 17.434 25.849 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -6.361 17.105 25.096 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -4.850 17.232 21.059 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -4.131 16.803 20.545 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -5.589 16.579 21.029 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -5.149 17.367 23.806 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -4.452 18.002 23.998 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -5.117 17.266 22.831 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -9.226 18.490 25.904 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -9.886 18.558 25.181 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -9.016 19.406 26.115 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -6.995 15.591 21.208 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -7.886 15.820 21.493 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -7.054 14.644 20.969 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -9.387 3.999 27.070 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -10.069 3.800 26.389 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -8.539 3.884 26.594 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -5.111 14.151 18.586 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -5.813 13.788 19.149 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -5.586 14.462 17.776 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -3.132 15.879 19.339 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -2.661 16.178 18.537 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -3.818 15.259 18.999 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -6.633 2.583 31.754 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -5.708 2.881 31.882 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -7.097 3.385 31.430 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -14.601 21.253 20.498 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -14.028 21.203 21.292 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -15.485 20.969 20.824 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -13.716 13.088 30.513 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -12.829 13.132 30.088 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -13.570 13.441 31.399 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 1.332 7.087 20.431 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 1.972 7.310 21.118 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 1.224 7.920 19.926 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 0.576 10.971 23.269 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 1.337 10.531 22.839 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 0.940 11.306 24.116 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 0.820 6.415 23.813 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 1.272 5.574 23.571 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 1.537 7.090 23.770 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -10.944 7.166 30.212 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -11.357 7.090 31.098 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -10.725 6.238 29.974 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 -12.026 15.427 27.877 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 -11.801 14.628 28.407 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 -12.983 15.504 27.960 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -0.266 6.672 26.321 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 0.270 7.380 26.725 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 0.031 6.654 25.385 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 1.771 7.341 29.560 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 1.380 7.911 30.235 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 1.676 7.855 28.727 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -10.365 20.479 21.311 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -10.495 20.288 20.361 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -9.445 20.833 21.360 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -7.763 21.216 21.235 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -7.266 20.516 20.753 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -7.114 21.909 21.378 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -9.846 41.802 -12.806 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -9.715 42.489 -13.494 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -8.972 41.357 -12.749 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -12.450 34.158 -10.837 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -11.592 34.328 -10.431 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -12.852 35.051 -10.932 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -11.614 33.433 -15.759 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -11.580 32.477 -15.997 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -12.278 33.800 -16.357 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -9.926 29.077 -15.321 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -8.976 28.850 -15.462 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -10.400 28.550 -16.002 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -11.811 30.736 -16.329 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -11.995 29.998 -16.940 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -11.068 30.401 -15.778 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -11.805 27.935 -16.946 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -11.761 27.095 -17.457 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -12.605 27.834 -16.389 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -8.137 23.685 -17.307 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -7.407 23.119 -16.956 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -7.845 23.920 -18.194 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -10.990 30.179 -12.089 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -11.130 31.045 -12.537 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -10.025 30.150 -11.920 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -10.860 23.128 -17.400 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -10.956 22.207 -17.075 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -9.899 23.304 -17.331 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 -9.436 25.096 -15.313 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 -8.791 25.149 -14.599 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 -8.944 24.680 -16.051 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -1.606 42.435 -5.256 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -1.309 41.840 -5.974 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -1.998 43.200 -5.726 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 3.502 27.995 -8.831 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 2.922 27.818 -8.072 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 2.929 27.842 -9.604 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 1.714 31.162 -10.110 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 2.666 31.311 -10.060 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 1.457 30.956 -9.190 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 1.302 27.893 -4.720 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 0.393 27.566 -4.566 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 1.373 27.948 -5.686 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -1.845 38.595 -8.162 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -1.750 37.813 -7.574 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -1.405 39.323 -7.665 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 1.548 30.690 -7.420 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 1.310 29.755 -7.274 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 2.531 30.700 -7.367 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 1.583 36.846 -7.110 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 0.752 36.920 -6.594 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 1.295 36.497 -7.972 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 1.284 40.277 -9.258 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 0.963 39.395 -9.540 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 1.910 40.080 -8.524 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 0.086 37.911 -10.040 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 0.268 36.952 -9.952 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -0.740 38.046 -9.527 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 1.738 36.388 -2.968 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 1.136 36.741 -3.659 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 1.296 35.567 -2.665 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 0.349 39.769 -12.110 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 0.228 38.966 -11.567 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 1.022 40.273 -11.639 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -5.197 32.557 -12.186 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -5.649 32.884 -11.376 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -4.240 32.670 -11.986 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 3.068 31.004 0.404 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 2.986 31.555 -0.404 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 2.901 30.092 0.089 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -1.597 34.304 -7.773 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -1.365 33.658 -7.094 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -1.590 35.166 -7.296 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 0.469 35.268 -9.243 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -0.437 35.022 -8.953 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 1.048 34.624 -8.774 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 5.278 36.004 -1.538 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 6.059 36.535 -1.376 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 4.529 36.612 -1.338 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -4.287 42.915 -12.221 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -3.584 42.345 -12.580 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -4.663 42.388 -11.471 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -2.151 40.861 -12.660 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -2.365 40.665 -11.723 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -1.226 40.545 -12.760 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -2.751 40.302 -10.090 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -3.652 40.691 -9.945 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -2.618 39.702 -9.321 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -5.714 28.341 -13.726 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -5.694 28.020 -12.800 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -5.982 29.279 -13.645 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -3.284 31.822 -9.464 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -2.817 32.275 -8.751 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -2.962 32.259 -10.275 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -7.396 28.278 -15.872 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -6.817 28.231 -15.078 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -6.821 28.026 -16.597 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -8.361 29.247 -11.773 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -7.670 28.664 -11.404 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -7.876 29.813 -12.412 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -6.836 30.834 -13.440 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -7.197 31.461 -14.082 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -6.224 31.378 -12.893 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -0.585 40.557 -0.135 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -0.532 40.619 -1.110 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -1.530 40.714 0.062 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -6.907 35.933 -13.562 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -6.469 35.160 -13.981 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -7.846 35.815 -13.773 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -2.613 33.344 -11.736 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -1.649 33.164 -11.606 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -2.651 34.288 -11.932 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -5.768 38.546 -13.174 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -6.471 39.208 -12.997 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -6.257 37.717 -13.359 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -2.682 38.015 -0.004 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -3.531 38.223 -0.438 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -2.013 38.116 -0.722 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 3.217 37.676 -1.040 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 2.628 37.315 -1.740 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 2.611 38.161 -0.446 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 -11.875 32.542 -13.150 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 -11.859 32.886 -14.066 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 -12.136 33.308 -12.613 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 0.803 39.856 -4.609 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 0.451 38.939 -4.522 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 0.457 40.319 -3.825 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 5.852 33.299 -7.046 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 5.127 33.963 -7.032 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 6.483 33.622 -6.364 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 -9.400 38.451 -16.267 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 -9.351 38.384 -17.226 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 -9.006 39.332 -16.068 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -7.253 40.865 -12.595 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -6.883 41.621 -13.094 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -7.140 41.121 -11.648 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -1.585 25.388 -9.223 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -2.511 25.486 -9.532 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -1.056 25.401 -10.048 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -4.051 37.968 -11.104 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -4.601 38.191 -11.885 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -3.542 38.773 -10.934 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -5.444 30.131 -9.475 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -4.601 30.641 -9.455 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -6.126 30.803 -9.383 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -3.996 25.650 -10.640 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -3.508 25.535 -11.480 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -4.754 25.030 -10.717 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -11.531 38.448 -14.572 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -10.725 38.465 -15.142 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -11.385 39.165 -13.928 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -0.421 40.585 -6.973 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 0.274 40.690 -7.652 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 0.073 40.336 -6.161 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 -5.660 41.624 -16.312 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 -5.088 41.666 -17.086 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 -5.126 41.122 -15.645 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -8.448 41.063 -16.032 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -8.701 41.905 -15.597 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -7.484 41.154 -16.178 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -9.836 35.355 -14.680 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -10.262 34.620 -15.166 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -9.611 36.000 -15.365 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -5.896 33.565 -14.595 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -5.595 33.248 -13.715 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -5.275 33.171 -15.214 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -6.404 43.065 -14.044 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -5.614 43.234 -13.490 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -6.039 42.701 -14.877 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -12.540 36.055 -13.899 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -12.268 36.962 -14.183 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -11.726 35.526 -13.999 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -12.987 39.402 -10.548 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -12.743 39.874 -11.380 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -13.572 40.031 -10.082 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 7.656 34.044 -5.097 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 7.411 33.908 -4.175 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 8.345 33.356 -5.269 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 1.672 33.453 -7.615 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 1.676 32.476 -7.507 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 2.565 33.733 -7.321 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 0.337 34.453 -5.417 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 0.868 34.152 -6.182 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 -0.025 35.318 -5.702 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 2.366 39.480 -6.877 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 2.082 39.701 -5.968 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 2.278 38.506 -6.925 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 0.365 33.999 -2.768 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 0.387 34.107 -3.751 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 -0.549 33.764 -2.576 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 0.462 36.344 -0.107 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 0.838 37.165 0.275 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 1.074 35.642 0.187 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 2.421 34.500 0.657 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 3.079 34.790 0.005 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 2.335 33.545 0.493 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 -0.014 33.058 -11.079 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 0.381 33.814 -10.617 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 0.565 32.301 -10.838 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 4.183 31.234 -7.841 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 4.827 30.552 -8.117 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 4.742 31.980 -7.534 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 2.559 32.618 -1.763 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 1.810 33.128 -2.133 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 2.731 31.923 -2.437 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 3.120 24.527 2.501 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 3.125 24.034 1.645 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 2.897 25.451 2.243 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 1.093 27.587 -10.299 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 0.755 26.789 -10.767 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 0.757 28.328 -10.824 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 0.946 26.991 -2.158 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 0.003 27.090 -2.366 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 1.397 27.227 -2.992 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 -0.591 42.158 -9.995 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 0.207 41.651 -9.741 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 -1.301 41.490 -10.017 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 -0.409 43.929 -0.868 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 -0.332 43.027 -1.199 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 0.173 44.441 -1.435 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 -1.222 26.785 -4.093 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 -1.355 26.619 -5.052 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 -2.001 27.332 -3.833 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -3.193 44.316 -6.556 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -3.560 44.102 -7.441 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -3.860 43.965 -5.931 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 -0.943 41.370 -2.834 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 -0.976 41.887 -3.673 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 -1.876 41.142 -2.666 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 0.999 27.955 -7.533 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 0.961 27.890 -8.513 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 0.304 27.329 -7.227 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 -0.172 25.385 -11.595 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 -0.974 25.397 -12.160 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 0.199 24.482 -11.730 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 -0.839 26.096 -6.717 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 -1.308 26.026 -7.579 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 -0.438 25.212 -6.598 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 -5.787 27.887 -10.996 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 -5.156 27.187 -10.735 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 -5.584 28.634 -10.382 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 -4.190 40.448 -14.420 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -4.659 39.694 -14.001 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 -3.375 40.553 -13.882 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -11.802 44.513 -16.305 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -11.904 45.256 -16.904 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -11.382 44.901 -15.509 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 -0.815 37.937 -1.924 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 -0.265 37.294 -1.425 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 -0.607 37.750 -2.867 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 -3.937 35.234 6.539 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 -4.272 36.124 6.730 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 -4.734 34.690 6.475 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 -4.527 33.518 10.328 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 -3.614 33.399 9.990 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 -4.865 34.286 9.819 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 -6.979 38.693 8.975 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 -7.174 39.602 8.717 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 -6.528 38.312 8.191 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 -9.800 33.044 7.757 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 -9.867 32.099 8.013 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 -8.905 33.309 8.060 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 0.696 30.762 9.376 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 1.323 31.467 9.131 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 1.239 29.941 9.361 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 -9.805 30.388 8.234 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 -10.657 30.073 8.600 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 -9.610 29.762 7.509 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 -6.426 31.483 10.211 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 -5.612 32.029 10.269 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 -6.312 30.968 9.382 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -6.364 29.072 13.605 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -6.119 30.029 13.531 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -6.152 28.846 14.517 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 -7.131 35.393 6.060 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 -7.693 35.351 6.870 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 -7.373 34.586 5.557 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 -8.352 30.032 11.633 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 -7.787 30.588 11.049 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 -7.806 29.889 12.424 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 -6.358 27.537 8.647 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 -6.481 27.527 9.616 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 -5.706 26.826 8.481 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -2.581 32.694 4.073 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -1.700 32.417 3.730 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 -2.606 32.325 4.989 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 -2.386 34.153 8.640 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 -2.888 34.477 7.869 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 -1.454 34.276 8.384 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 -6.138 34.733 12.273 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 -5.475 34.310 11.692 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 -6.202 35.651 11.937 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 -8.076 33.594 13.760 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 -8.259 34.177 14.505 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 -7.416 34.092 13.217 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 -2.251 31.730 6.499 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 -1.295 31.596 6.655 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 -2.684 31.255 7.237 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 -5.672 37.490 6.845 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 -5.534 38.070 6.079 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 -6.261 36.774 6.501 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 2.167 25.073 5.163 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 3.119 24.979 5.357 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 2.109 24.922 4.202 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 2.985 37.994 6.952 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 3.531 38.744 6.698 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 2.389 37.859 6.185 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 -9.899 35.069 10.258 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 -9.489 34.277 10.647 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 -10.855 34.871 10.279 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 -0.553 43.056 6.977 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 -0.905 43.859 6.585 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 -0.233 43.342 7.861 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 0.257 44.312 9.299 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 1.053 44.822 9.486 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 -0.281 44.410 10.092 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 -6.894 27.605 11.330 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 -7.606 28.242 11.134 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 -6.493 27.947 12.158 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 -6.055 31.717 13.432 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 -5.586 32.190 12.731 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 -6.786 32.319 13.678 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 -1.612 29.287 9.779 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 -2.323 29.744 9.289 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 -0.838 29.888 9.694 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 -12.704 27.204 7.147 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 -12.492 26.467 6.558 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 -13.628 27.441 6.910 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 -6.457 30.084 7.827 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 -7.360 30.284 7.531 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 -6.483 29.119 8.043 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 -3.701 30.081 8.130 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 -3.398 29.301 7.606 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 -4.671 30.097 7.996 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 -2.577 26.792 10.092 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 -2.388 26.674 11.026 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 -2.238 27.698 9.893 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 -7.737 33.461 4.175 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 -7.165 32.726 4.521 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 -7.571 33.462 3.227 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 3.568 29.678 5.204 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 4.103 28.993 4.737 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 3.026 29.162 5.831 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 -12.205 33.627 10.645 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 -11.454 33.157 11.065 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 -12.961 33.049 10.799 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 4.159 32.050 6.438 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 3.891 31.233 5.957 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 5.120 32.026 6.423 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 -1.093 38.272 4.760 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 -0.142 38.029 4.804 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 -1.102 39.228 4.973 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 -7.203 33.484 8.416 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 -6.694 34.271 8.689 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 -7.047 32.839 9.130 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 -10.125 34.020 5.299 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 -9.284 33.719 4.893 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 -10.102 33.637 6.212 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 -5.699 35.686 9.143 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 -5.979 36.210 9.924 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 -5.640 36.341 8.427 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 2.921 39.902 3.442 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 2.090 40.329 3.130 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 3.616 40.358 2.961 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 0.660 28.847 3.197 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 1.249 29.630 3.283 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 0.171 29.013 2.362 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 -5.975 38.217 3.625 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 -5.329 37.545 3.382 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 -5.843 38.928 2.958 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 -2.467 28.026 6.823 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 -2.178 27.335 7.429 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 -1.631 28.357 6.421 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 -8.466 37.343 4.632 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 -8.115 36.624 5.195 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 -7.665 37.741 4.229 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 -11.542 25.905 12.423 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 -10.755 25.339 12.295 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 -12.282 25.380 12.035 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 -8.663 36.350 8.154 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 -9.155 35.807 8.816 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 -8.490 37.181 8.615 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 -0.074 32.416 3.102 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 0.725 31.858 2.989 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 0.213 33.114 3.727 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 -5.211 38.491 -1.061 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 -5.846 37.799 -1.289 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 -5.602 39.314 -1.447 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 -12.153 40.510 5.288 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 -11.423 40.059 4.805 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 -12.078 41.451 5.005 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 -12.037 38.542 7.201 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 -12.849 38.484 7.725 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 -12.137 39.375 6.689 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 0.787 34.075 5.058 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 0.583 34.537 5.900 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 1.327 34.716 4.555 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 2.213 32.739 8.227 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 2.602 33.464 8.736 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 2.917 32.498 7.575 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 0.508 31.531 6.273 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 1.011 31.711 7.087 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 0.662 32.323 5.719 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 2.268 31.018 3.004 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 2.974 30.743 3.619 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 2.702 31.013 2.116 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 0.301 34.722 7.730 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 0.684 33.853 7.948 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 0.905 35.362 8.165 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 -9.761 32.626 11.759 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 -9.230 32.916 12.529 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 -9.544 31.682 11.663 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 2.059 28.397 9.222 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 2.031 27.571 9.711 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 2.184 28.120 8.289 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 4.576 27.468 4.004 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 4.791 26.563 4.296 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 3.976 27.338 3.244 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 -11.224 28.466 11.352 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 -11.337 27.582 11.773 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 -10.294 28.691 11.513 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 -12.238 29.257 8.922 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 -12.375 28.490 8.318 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 -11.938 28.849 9.766 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 2.558 27.135 2.156 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 1.868 27.626 2.650 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 2.554 27.554 1.263 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 -6.352 37.313 11.246 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 -6.677 37.884 10.511 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 -6.279 37.914 11.997 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 -4.473 25.481 8.636 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 -3.805 25.993 9.151 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 -3.950 25.050 7.932 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 -2.717 24.054 6.809 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 -1.741 24.041 6.657 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 -3.087 23.675 5.992 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 -0.090 28.900 5.801 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 0.064 28.841 4.832 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 0.103 29.842 6.017 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 -16.171 38.475 3.143 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 -16.829 39.152 2.885 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 -15.307 38.923 3.022 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 -5.164 39.758 1.415 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 -5.173 39.182 0.626 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 -4.437 40.386 1.239 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 -0.398 40.936 5.219 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 -0.654 41.676 5.816 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 0.532 40.789 5.419 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 -10.141 47.040 -8.627 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 -9.642 46.334 -8.162 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 -9.651 47.161 -9.467 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 -8.813 44.893 -7.626 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 -7.949 45.099 -8.058 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 -8.556 44.414 -6.809 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 -11.931 47.657 -6.680 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 -11.334 47.431 -7.437 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 -11.685 48.556 -6.449 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 -4.114 43.775 -9.053 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 -4.486 42.945 -9.433 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 -3.349 43.983 -9.631 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 -7.964 44.037 -11.184 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 -7.713 43.221 -10.693 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 -7.100 44.438 -11.437 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 -4.811 42.762 -4.923 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 -4.046 42.397 -4.456 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 -5.569 42.229 -4.597 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 -10.629 44.727 -11.590 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 -10.872 44.802 -10.653 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 -9.699 44.414 -11.569 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 -6.301 45.309 -8.508 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 -5.932 46.129 -8.883 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 -5.584 44.653 -8.623 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 -8.350 46.762 -10.724 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 -7.471 47.059 -10.979 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 -8.304 45.790 -10.802 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1493 -8.990 44.858 -0.653 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1493 -8.693 44.419 -1.484 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1493 -8.219 45.345 -0.359 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1494 -4.686 47.199 -9.706 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1494 -4.644 48.157 -9.643 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1494 -3.882 46.890 -9.221 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1495 -9.021 43.474 -14.784 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1495 -8.107 43.619 -14.451 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1495 -9.477 44.328 -14.621 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1496 -11.110 44.029 -8.830 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1496 -10.331 44.416 -8.364 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1496 -10.767 43.182 -9.201 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1497 -7.577 43.601 -5.601 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1497 -7.534 42.715 -5.168 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1497 -6.651 43.818 -5.786 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1498 -7.848 43.712 -2.820 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1498 -7.893 44.054 -3.728 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1498 -7.490 42.808 -2.926 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1499 -3.675 40.763 -2.695 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1499 -4.654 40.909 -2.603 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1499 -3.603 39.865 -3.045 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1500 -3.253 41.339 -0.020 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1500 -3.172 42.302 -0.003 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1500 -3.465 41.133 -0.955 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1501 -13.705 44.169 -9.532 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1501 -12.760 44.104 -9.247 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1501 -13.680 44.766 -10.291 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1502 -10.529 45.656 -14.127 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1502 -10.650 45.262 -13.227 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1502 -10.393 46.594 -13.954 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1503 -13.379 45.415 -6.237 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1503 -12.957 46.309 -6.249 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1503 -12.836 44.894 -6.843 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1504 -2.458 46.342 -8.423 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1504 -2.523 45.823 -7.599 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1504 -2.061 45.723 -9.067 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1505 -10.013 41.848 -10.024 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1505 -10.171 41.879 -10.990 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1505 -9.028 41.810 -9.945 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1506 -11.463 41.801 -16.451 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1506 -11.616 42.774 -16.438 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1506 -10.505 41.713 -16.551 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1507 -1.868 44.473 -10.451 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1507 -1.297 43.690 -10.248 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1507 -1.786 44.581 -11.405 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1508 -5.572 45.275 -11.597 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1508 -5.109 45.876 -10.984 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1508 -4.930 44.554 -11.759 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1509 -10.001 40.835 1.565 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1509 -10.388 41.673 1.228 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1509 -9.158 40.748 1.066 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1510 -7.592 40.708 0.211 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1510 -7.269 40.869 -0.700 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1510 -6.783 40.572 0.729 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1511 0.506 40.700 2.553 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1511 -0.109 40.921 3.280 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1511 0.003 40.903 1.740 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1512 -12.012 42.808 3.817 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1512 -11.585 43.095 2.998 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1512 -12.972 42.918 3.639 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1513 -10.333 39.235 3.760 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1513 -10.189 39.802 2.962 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1513 -9.493 38.756 3.868 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1514 9.310 36.196 -5.734 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1514 8.685 36.888 -5.944 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1514 8.753 35.416 -5.555 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1515 3.734 35.006 -6.643 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1515 3.895 35.038 -5.666 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1515 3.162 35.779 -6.813 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1516 7.612 31.235 -7.655 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1516 6.987 31.982 -7.549 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1516 7.052 30.495 -7.957 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1517 4.066 35.301 -3.971 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1517 4.659 35.315 -3.195 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1517 3.242 35.713 -3.646 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1518 1.330 38.776 0.683 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1518 0.691 39.344 0.196 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1518 1.349 39.160 1.575 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1519 9.435 32.158 -5.836 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1519 10.272 32.230 -6.300 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1519 8.844 31.698 -6.474 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1520 1.974 28.465 -0.136 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1520 1.763 27.863 -0.888 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1520 1.124 28.903 0.059 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1521 5.913 29.229 -8.639 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1521 5.050 28.749 -8.689 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1521 6.527 28.655 -9.109 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1522 2.543 30.311 -3.296 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1522 1.679 30.092 -2.891 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1522 2.755 29.534 -3.828 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1523 2.360 36.168 8.855 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1523 2.374 36.709 9.650 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1523 2.675 36.777 8.145 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1524 2.350 35.541 3.226 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1524 3.280 35.352 3.393 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1524 2.196 35.197 2.316 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1525 1.618 37.809 4.573 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1525 2.130 38.523 4.126 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1525 1.805 37.007 4.035 1.00 0.00 WAT1 END