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: -1750.06, 83.3158, 93.1505, 41.1725, 429.888, -280.013, -2118.61, 0.87172, 0.160111 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.398718E-03,0.471247,1.1723,42.6088,2.918399E-03,0.183557 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 16, 3 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:51 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 0.988 -22.057 15.474 1.00 61.34 ATOM 2 CB MET 1 2.878 -21.049 15.315 1.00 45.15 ATOM 3 HB1 MET 1 3.245 -20.132 14.879 1.00 37.38 ATOM 4 HB2 MET 1 3.288 -21.884 14.766 1.00 4.11 ATOM 5 CG MET 1 3.386 -21.131 16.749 1.00 63.21 ATOM 6 HG1 MET 1 2.956 -22.003 17.220 1.00 37.38 ATOM 7 HG2 MET 1 3.070 -20.246 17.282 1.00 41.02 ATOM 8 SD MET 1 5.184 -21.250 16.849 1.00 62.00 ATOM 9 CE MET 1 5.463 -22.887 16.170 1.00 4.50 ATOM 10 HE1 MET 1 4.940 -23.621 16.767 1.00 24.42 ATOM 11 HE2 MET 1 6.519 -23.106 16.179 1.00 53.35 ATOM 12 HE3 MET 1 5.098 -22.923 15.153 1.00 64.00 ATOM 13 C MET 1 0.714 -20.035 16.117 1.00 41.12 ATOM 14 O MET 1 0.616 -18.865 15.762 1.00 4.01 ATOM 15 N MET 1 0.949 -20.849 13.771 1.00 43.55 ATOM 16 HT1 MET 1 1.278 -19.916 13.454 1.00 37.38 ATOM 17 HT2 MET 1 -0.089 -20.888 13.676 1.00 37.38 ATOM 18 HT3 MET 1 1.367 -21.579 13.159 1.00 37.38 ATOM 19 CA MET 1 1.346 -21.079 15.187 1.00 4.23 ATOM 20 N GLY 2 0.283 -20.468 17.303 1.00 2.30 ATOM 21 HN GLY 2 0.379 -21.419 17.530 1.00 37.38 ATOM 22 CA GLY 2 -0.325 -19.553 18.268 1.00 3.11 ATOM 23 HA1 GLY 2 -0.874 -20.133 18.995 1.00 37.38 ATOM 24 HA2 GLY 2 -1.017 -18.905 17.750 1.00 71.35 ATOM 25 C GLY 2 0.699 -18.690 19.001 1.00 31.01 ATOM 26 O GLY 2 0.460 -17.509 19.254 1.00 1.51 ATOM 27 N HIS 3 1.834 -19.296 19.344 1.00 60.04 ATOM 28 HN HIS 3 1.936 -20.248 19.131 1.00 37.38 ATOM 29 CA HIS 3 2.927 -18.612 20.053 1.00 0.25 ATOM 30 HA HIS 3 2.610 -18.468 21.077 1.00 42.23 ATOM 31 CB HIS 3 4.174 -19.512 20.054 1.00 54.43 ATOM 32 HB1 HIS 3 4.365 -19.848 19.045 1.00 37.38 ATOM 33 HB2 HIS 3 3.986 -20.373 20.679 1.00 53.22 ATOM 34 CG HIS 3 5.421 -18.845 20.561 1.00 72.12 ATOM 35 ND1 HIS 3 5.742 -18.753 21.896 1.00 21.24 ATOM 36 HD1 HIS 3 5.206 -19.102 22.643 1.00 20.33 ATOM 37 CD2 HIS 3 6.437 -18.247 19.895 1.00 32.12 ATOM 38 HD2 HIS 3 6.519 -18.132 18.822 1.00 20.03 ATOM 39 CE1 HIS 3 6.894 -18.128 22.029 1.00 14.21 ATOM 40 HE1 HIS 3 7.390 -17.911 22.964 1.00 13.54 ATOM 41 NE2 HIS 3 7.339 -17.810 20.832 1.00 45.41 ATOM 42 HE2 HIS 3 8.271 -17.570 20.637 1.00 37.38 ATOM 43 C HIS 3 3.271 -17.237 19.446 1.00 43.23 ATOM 44 O HIS 3 3.806 -17.152 18.339 1.00 11.51 ATOM 45 N HIS 4 2.947 -16.169 20.187 1.00 40.44 ATOM 46 HN HIS 4 2.430 -16.313 21.009 1.00 37.38 ATOM 47 CA HIS 4 3.328 -14.789 19.821 1.00 15.23 ATOM 48 HA HIS 4 3.039 -14.153 20.645 1.00 63.43 ATOM 49 CB HIS 4 4.860 -14.701 19.654 1.00 22.13 ATOM 50 HB1 HIS 4 5.161 -15.359 18.851 1.00 37.38 ATOM 51 HB2 HIS 4 5.333 -15.029 20.569 1.00 1.14 ATOM 52 CG HIS 4 5.374 -13.327 19.341 1.00 5.41 ATOM 53 ND1 HIS 4 5.712 -12.923 18.069 1.00 24.22 ATOM 54 HD1 HIS 4 5.651 -13.472 17.257 1.00 62.41 ATOM 55 CD2 HIS 4 5.611 -12.261 20.142 1.00 41.13 ATOM 56 HD2 HIS 4 5.462 -12.217 21.210 1.00 44.34 ATOM 57 CE1 HIS 4 6.129 -11.676 18.099 1.00 34.45 ATOM 58 HE1 HIS 4 6.460 -11.101 17.245 1.00 70.04 ATOM 59 NE2 HIS 4 6.080 -11.248 19.343 1.00 24.04 ATOM 60 HE2 HIS 4 6.540 -10.443 19.671 1.00 37.38 ATOM 61 C HIS 4 2.603 -14.286 18.548 1.00 33.10 ATOM 62 O HIS 4 2.936 -13.232 18.004 1.00 1.32 ATOM 63 N HIS 5 1.592 -15.017 18.100 1.00 41.51 ATOM 64 HN HIS 5 1.330 -15.821 18.597 1.00 37.38 ATOM 65 CA HIS 5 0.848 -14.652 16.889 1.00 74.13 ATOM 66 HA HIS 5 1.554 -14.250 16.176 1.00 53.33 ATOM 67 CB HIS 5 0.196 -15.905 16.286 1.00 3.01 ATOM 68 HB1 HIS 5 -0.511 -16.309 16.997 1.00 37.38 ATOM 69 HB2 HIS 5 0.963 -16.643 16.100 1.00 31.11 ATOM 70 CG HIS 5 -0.530 -15.671 14.993 1.00 5.32 ATOM 71 ND1 HIS 5 0.092 -15.690 13.763 1.00 32.14 ATOM 72 HD1 HIS 5 1.052 -15.837 13.607 1.00 63.04 ATOM 73 CD2 HIS 5 -1.839 -15.428 14.739 1.00 74.12 ATOM 74 HD2 HIS 5 -2.628 -15.347 15.474 1.00 73.51 ATOM 75 CE1 HIS 5 -0.796 -15.470 12.816 1.00 1.24 ATOM 76 HE1 HIS 5 -0.591 -15.432 11.755 1.00 44.13 ATOM 77 NE2 HIS 5 -1.977 -15.309 13.378 1.00 21.55 ATOM 78 HE2 HIS 5 -2.833 -15.361 12.896 1.00 37.38 ATOM 79 C HIS 5 -0.214 -13.576 17.186 1.00 23.03 ATOM 80 O HIS 5 -1.316 -13.885 17.641 1.00 73.43 ATOM 81 N HIS 6 0.123 -12.309 16.930 1.00 21.12 ATOM 82 HN HIS 6 1.019 -12.116 16.582 1.00 37.38 ATOM 83 CA HIS 6 -0.806 -11.194 17.171 1.00 2.14 ATOM 84 HA HIS 6 -1.787 -11.614 17.344 1.00 41.54 ATOM 85 CB HIS 6 -0.376 -10.413 18.423 1.00 53.32 ATOM 86 HB1 HIS 6 0.560 -9.912 18.225 1.00 37.38 ATOM 87 HB2 HIS 6 -0.239 -11.106 19.240 1.00 45.42 ATOM 88 CG HIS 6 -1.372 -9.379 18.864 1.00 23.54 ATOM 89 ND1 HIS 6 -1.341 -8.070 18.436 1.00 33.51 ATOM 90 HD1 HIS 6 -0.681 -7.685 17.815 1.00 31.54 ATOM 91 CD2 HIS 6 -2.436 -9.468 19.699 1.00 15.15 ATOM 92 HD2 HIS 6 -2.767 -10.353 20.223 1.00 73.34 ATOM 93 CE1 HIS 6 -2.337 -7.403 18.981 1.00 60.44 ATOM 94 HE1 HIS 6 -2.558 -6.359 18.822 1.00 13.30 ATOM 95 NE2 HIS 6 -3.016 -8.226 19.750 1.00 42.13 ATOM 96 HE2 HIS 6 -3.885 -8.023 20.160 1.00 37.38 ATOM 97 C HIS 6 -0.884 -10.254 15.953 1.00 4.12 ATOM 98 O HIS 6 0.080 -10.115 15.199 1.00 3.44 ATOM 99 N HIS 7 -2.041 -9.613 15.765 1.00 41.40 ATOM 100 HN HIS 7 -2.770 -9.751 16.408 1.00 37.38 ATOM 101 CA HIS 7 -2.261 -8.709 14.623 1.00 13.21 ATOM 102 HA HIS 7 -1.638 -9.048 13.805 1.00 55.21 ATOM 103 CB HIS 7 -3.732 -8.772 14.183 1.00 71.20 ATOM 104 HB1 HIS 7 -3.871 -8.127 13.328 1.00 37.38 ATOM 105 HB2 HIS 7 -4.356 -8.423 14.992 1.00 73.33 ATOM 106 CG HIS 7 -4.198 -10.147 13.804 1.00 2.42 ATOM 107 ND1 HIS 7 -4.975 -10.933 14.626 1.00 52.20 ATOM 108 HD1 HIS 7 -5.298 -10.686 15.523 1.00 2.43 ATOM 109 CD2 HIS 7 -4.006 -10.871 12.673 1.00 62.33 ATOM 110 HD2 HIS 7 -3.438 -10.569 11.806 1.00 41.02 ATOM 111 CE1 HIS 7 -5.239 -12.073 14.025 1.00 3.12 ATOM 112 HE1 HIS 7 -5.829 -12.879 14.435 1.00 23.23 ATOM 113 NE2 HIS 7 -4.666 -12.064 12.839 1.00 25.12 ATOM 114 HE2 HIS 7 -4.862 -12.704 12.121 1.00 37.38 ATOM 115 C HIS 7 -1.888 -7.247 14.955 1.00 0.42 ATOM 116 O HIS 7 -1.454 -6.932 16.062 1.00 23.22 ATOM 117 N HIS 8 -2.046 -6.362 13.970 1.00 50.32 ATOM 118 HN HIS 8 -2.305 -6.688 13.079 1.00 37.38 ATOM 119 CA HIS 8 -1.837 -4.918 14.162 1.00 75.12 ATOM 120 HA HIS 8 -1.949 -4.702 15.218 1.00 23.11 ATOM 121 CB HIS 8 -0.426 -4.504 13.716 1.00 14.43 ATOM 122 HB1 HIS 8 -0.372 -3.424 13.668 1.00 37.38 ATOM 123 HB2 HIS 8 -0.235 -4.908 12.732 1.00 1.31 ATOM 124 CG HIS 8 0.665 -4.978 14.625 1.00 45.24 ATOM 125 ND1 HIS 8 1.097 -4.256 15.716 1.00 53.21 ATOM 126 HD1 HIS 8 0.748 -3.384 16.002 1.00 71.45 ATOM 127 CD2 HIS 8 1.422 -6.101 14.600 1.00 71.32 ATOM 128 HD2 HIS 8 1.356 -6.903 13.876 1.00 44.20 ATOM 129 CE1 HIS 8 2.069 -4.908 16.318 1.00 33.21 ATOM 130 HE1 HIS 8 2.599 -4.580 17.200 1.00 13.12 ATOM 131 NE2 HIS 8 2.284 -6.030 15.663 1.00 34.10 ATOM 132 HE2 HIS 8 2.840 -6.769 15.988 1.00 37.38 ATOM 133 C HIS 8 -2.882 -4.104 13.382 1.00 71.41 ATOM 134 O HIS 8 -2.902 -4.126 12.149 1.00 20.31 ATOM 135 N SER 9 -3.736 -3.381 14.103 1.00 14.20 ATOM 136 HN SER 9 -3.664 -3.397 15.082 1.00 37.38 ATOM 137 CA SER 9 -4.785 -2.556 13.476 1.00 61.34 ATOM 138 HA SER 9 -4.462 -2.319 12.472 1.00 41.03 ATOM 139 CB SER 9 -6.112 -3.328 13.399 1.00 34.31 ATOM 140 HB1 SER 9 -6.431 -3.593 14.397 1.00 37.38 ATOM 141 HB2 SER 9 -5.972 -4.228 12.817 1.00 51.33 ATOM 142 OG SER 9 -7.127 -2.545 12.786 1.00 1.11 ATOM 143 HG SER 9 -7.899 -3.098 12.614 1.00 51.00 ATOM 144 C SER 9 -4.998 -1.241 14.241 1.00 34.42 ATOM 145 O SER 9 -4.407 -1.022 15.300 1.00 23.31 ATOM 146 N HIS 10 -5.856 -0.375 13.700 1.00 64.22 ATOM 147 HN HIS 10 -6.329 -0.634 12.879 1.00 37.38 ATOM 148 CA HIS 10 -6.137 0.939 14.299 1.00 51.44 ATOM 149 HA HIS 10 -6.176 0.808 15.371 1.00 61.04 ATOM 150 CB HIS 10 -5.011 1.935 13.961 1.00 55.40 ATOM 151 HB1 HIS 10 -4.111 1.635 14.480 1.00 37.38 ATOM 152 HB2 HIS 10 -5.299 2.919 14.296 1.00 13.51 ATOM 153 CG HIS 10 -4.691 2.025 12.493 1.00 62.02 ATOM 154 ND1 HIS 10 -3.548 1.492 11.937 1.00 52.35 ATOM 155 HD1 HIS 10 -2.832 1.027 12.426 1.00 30.22 ATOM 156 CD2 HIS 10 -5.366 2.599 11.466 1.00 54.22 ATOM 157 HD2 HIS 10 -6.312 3.116 11.531 1.00 20.41 ATOM 158 CE1 HIS 10 -3.537 1.723 10.642 1.00 14.22 ATOM 159 HE1 HIS 10 -2.766 1.411 9.952 1.00 64.03 ATOM 160 NE2 HIS 10 -4.624 2.392 10.328 1.00 31.04 ATOM 161 HE2 HIS 10 -4.953 2.521 9.411 1.00 37.38 ATOM 162 C HIS 10 -7.494 1.490 13.822 1.00 54.51 ATOM 163 O HIS 10 -7.919 1.221 12.697 1.00 53.42 ATOM 164 N MET 11 -8.165 2.264 14.676 1.00 2.42 ATOM 165 HN MET 11 -7.771 2.453 15.555 1.00 37.38 ATOM 166 CA MET 11 -9.481 2.838 14.347 1.00 10.11 ATOM 167 HA MET 11 -9.845 2.350 13.452 1.00 52.44 ATOM 168 CB MET 11 -10.464 2.560 15.501 1.00 15.30 ATOM 169 HB1 MET 11 -10.231 3.223 16.322 1.00 37.38 ATOM 170 HB2 MET 11 -10.327 1.540 15.831 1.00 72.24 ATOM 171 CG MET 11 -11.937 2.746 15.143 1.00 4.51 ATOM 172 HG1 MET 11 -12.540 2.384 15.964 1.00 37.38 ATOM 173 HG2 MET 11 -12.154 2.161 14.260 1.00 3.12 ATOM 174 SD MET 11 -12.383 4.462 14.814 1.00 10.31 ATOM 175 CE MET 11 -12.073 5.210 16.414 1.00 32.54 ATOM 176 HE1 MET 11 -11.031 5.091 16.671 1.00 43.24 ATOM 177 HE2 MET 11 -12.686 4.728 17.164 1.00 64.41 ATOM 178 HE3 MET 11 -12.315 6.261 16.373 1.00 12.21 ATOM 179 C MET 11 -9.371 4.352 14.074 1.00 4.25 ATOM 180 O MET 11 -8.689 5.078 14.801 1.00 52.33 ATOM 181 N ALA 12 -10.047 4.820 13.023 1.00 41.43 ATOM 182 HN ALA 12 -10.615 4.208 12.515 1.00 37.38 ATOM 183 CA ALA 12 -9.975 6.230 12.610 1.00 54.34 ATOM 184 HA ALA 12 -8.944 6.547 12.706 1.00 41.04 ATOM 185 CB ALA 12 -10.366 6.363 11.142 1.00 53.10 ATOM 186 HB1 ALA 12 -10.235 7.388 10.823 1.00 1.10 ATOM 187 HB2 ALA 12 -11.401 6.078 11.017 1.00 62.51 ATOM 188 HB3 ALA 12 -9.742 5.718 10.543 1.00 31.13 ATOM 189 C ALA 12 -10.855 7.144 13.484 1.00 70.32 ATOM 190 O ALA 12 -12.072 7.227 13.292 1.00 55.34 ATOM 191 N LYS 13 -10.222 7.845 14.428 1.00 54.55 ATOM 192 HN LYS 13 -9.246 7.780 14.485 1.00 37.38 ATOM 193 CA LYS 13 -10.939 8.716 15.377 1.00 25.23 ATOM 194 HA LYS 13 -11.781 8.156 15.755 1.00 12.44 ATOM 195 CB LYS 13 -10.029 9.088 16.565 1.00 62.33 ATOM 196 HB1 LYS 13 -9.836 8.198 17.150 1.00 37.38 ATOM 197 HB2 LYS 13 -10.545 9.806 17.188 1.00 44.04 ATOM 198 CG LYS 13 -8.685 9.688 16.153 1.00 1.02 ATOM 199 HG1 LYS 13 -8.854 10.436 15.391 1.00 37.38 ATOM 200 HG2 LYS 13 -8.060 8.903 15.751 1.00 22.25 ATOM 201 CD LYS 13 -7.963 10.336 17.333 1.00 53.43 ATOM 202 HD1 LYS 13 -6.951 10.571 17.035 1.00 37.38 ATOM 203 HD2 LYS 13 -7.940 9.638 18.159 1.00 61.41 ATOM 204 CE LYS 13 -8.655 11.617 17.792 1.00 4.22 ATOM 205 HE1 LYS 13 -9.688 11.395 18.022 1.00 37.38 ATOM 206 HE2 LYS 13 -8.615 12.340 16.990 1.00 23.21 ATOM 207 NZ LYS 13 -8.008 12.202 18.996 1.00 41.42 ATOM 208 HZ1 LYS 13 -8.434 13.125 19.218 1.00 44.44 ATOM 209 HZ2 LYS 13 -6.988 12.332 18.833 1.00 34.12 ATOM 210 HZ3 LYS 13 -8.139 11.571 19.812 1.00 54.35 ATOM 211 C LYS 13 -11.466 10.002 14.708 1.00 34.23 ATOM 212 O LYS 13 -10.707 10.745 14.081 1.00 45.43 ATOM 213 N PRO 14 -12.783 10.272 14.820 1.00 64.34 ATOM 214 CA PRO 14 -13.383 11.528 14.360 1.00 45.33 ATOM 215 HA PRO 14 -12.865 11.934 13.502 1.00 63.12 ATOM 216 CB PRO 14 -14.784 11.071 13.956 1.00 63.44 ATOM 217 HB1 PRO 14 -14.766 10.686 12.946 1.00 37.38 ATOM 218 HB2 PRO 14 -15.474 11.904 14.017 1.00 2.30 ATOM 219 CG PRO 14 -15.124 9.995 14.943 1.00 41.32 ATOM 220 HG1 PRO 14 -15.761 9.257 14.477 1.00 37.38 ATOM 221 HG2 PRO 14 -15.626 10.431 15.798 1.00 61.03 ATOM 222 CD PRO 14 -13.811 9.363 15.372 1.00 65.21 ATOM 223 HD1 PRO 14 -13.712 8.374 14.948 1.00 37.38 ATOM 224 HD2 PRO 14 -13.746 9.318 16.451 1.00 20.24 ATOM 225 C PRO 14 -13.465 12.590 15.475 1.00 3.25 ATOM 226 O PRO 14 -13.156 12.314 16.637 1.00 22.30 ATOM 227 N THR 15 -13.880 13.805 15.115 1.00 74.22 ATOM 228 HN THR 15 -14.045 13.990 14.169 1.00 37.38 ATOM 229 CA THR 15 -14.094 14.880 16.098 1.00 71.31 ATOM 230 HA THR 15 -13.995 14.448 17.087 1.00 33.53 ATOM 231 CB THR 15 -13.050 16.019 15.960 1.00 34.54 ATOM 232 HB THR 15 -13.316 16.813 16.646 1.00 20.03 ATOM 233 OG1 THR 15 -13.048 16.543 14.622 1.00 64.32 ATOM 234 HG1 THR 15 -12.135 16.680 14.338 1.00 33.30 ATOM 235 CG2 THR 15 -11.650 15.527 16.315 1.00 32.04 ATOM 236 HG21 THR 15 -10.947 16.342 16.219 1.00 24.25 ATOM 237 HG22 THR 15 -11.367 14.729 15.643 1.00 4.24 ATOM 238 HG23 THR 15 -11.641 15.162 17.332 1.00 20.45 ATOM 239 C THR 15 -15.503 15.470 15.964 1.00 23.02 ATOM 240 O THR 15 -15.936 15.831 14.868 1.00 41.11 ATOM 241 N ALA 16 -16.222 15.553 17.082 1.00 70.25 ATOM 242 HN ALA 16 -15.806 15.297 17.934 1.00 37.38 ATOM 243 CA ALA 16 -17.616 16.020 17.078 1.00 65.32 ATOM 244 HA ALA 16 -18.020 15.844 16.090 1.00 24.43 ATOM 245 CB ALA 16 -18.444 15.207 18.069 1.00 74.12 ATOM 246 HB1 ALA 16 -18.079 15.378 19.071 1.00 3.31 ATOM 247 HB2 ALA 16 -18.363 14.155 17.832 1.00 42.40 ATOM 248 HB3 ALA 16 -19.480 15.508 18.007 1.00 34.52 ATOM 249 C ALA 16 -17.727 17.520 17.401 1.00 74.20 ATOM 250 O ALA 16 -17.415 17.951 18.512 1.00 74.31 ATOM 251 N ARG 17 -18.178 18.309 16.423 1.00 73.23 ATOM 252 HN ARG 17 -18.357 17.914 15.543 1.00 37.38 ATOM 253 CA ARG 17 -18.407 19.749 16.614 1.00 14.44 ATOM 254 HA ARG 17 -18.406 19.951 17.679 1.00 32.54 ATOM 255 CB ARG 17 -17.283 20.565 15.952 1.00 65.35 ATOM 256 HB1 ARG 17 -17.545 21.615 15.985 1.00 37.38 ATOM 257 HB2 ARG 17 -17.199 20.259 14.919 1.00 63.33 ATOM 258 CG ARG 17 -15.918 20.392 16.614 1.00 14.54 ATOM 259 HG1 ARG 17 -15.665 19.340 16.619 1.00 37.38 ATOM 260 HG2 ARG 17 -15.975 20.752 17.630 1.00 55.13 ATOM 261 CD ARG 17 -14.823 21.160 15.879 1.00 1.44 ATOM 262 HD1 ARG 17 -14.745 20.775 14.871 1.00 37.38 ATOM 263 HD2 ARG 17 -13.887 21.003 16.393 1.00 23.44 ATOM 264 NE ARG 17 -15.094 22.596 15.817 1.00 34.51 ATOM 265 HE ARG 17 -16.006 22.891 16.001 1.00 23.13 ATOM 266 CZ ARG 17 -14.205 23.502 15.510 1.00 72.10 ATOM 267 NH1 ARG 17 -12.966 23.175 15.322 1.00 0.44 ATOM 268 HH11 ARG 17 -12.687 22.226 15.412 1.00 75.21 ATOM 269 HH12 ARG 17 -12.294 23.876 15.089 1.00 13.14 ATOM 270 NH2 ARG 17 -14.557 24.743 15.421 1.00 64.31 ATOM 271 HH21 ARG 17 -15.509 25.005 15.586 1.00 72.51 ATOM 272 HH22 ARG 17 -13.882 25.439 15.184 1.00 30.14 ATOM 273 C ARG 17 -19.771 20.167 16.036 1.00 33.13 ATOM 274 O ARG 17 -19.914 20.358 14.826 1.00 53.33 ATOM 275 N GLY 18 -20.778 20.283 16.902 1.00 0.34 ATOM 276 HN GLY 18 -20.612 20.107 17.853 1.00 37.38 ATOM 277 CA GLY 18 -22.119 20.672 16.458 1.00 14.11 ATOM 278 HA1 GLY 18 -22.843 20.257 17.145 1.00 37.38 ATOM 279 HA2 GLY 18 -22.301 20.258 15.477 1.00 55.42 ATOM 280 C GLY 18 -22.310 22.186 16.401 1.00 1.15 ATOM 281 O GLY 18 -23.043 22.764 17.212 1.00 13.52 ATOM 282 N GLU 19 -21.661 22.823 15.431 1.00 43.21 ATOM 283 HN GLU 19 -21.166 22.296 14.770 1.00 37.38 ATOM 284 CA GLU 19 -21.658 24.289 15.314 1.00 52.13 ATOM 285 HA GLU 19 -22.438 24.681 15.952 1.00 53.53 ATOM 286 CB GLU 19 -20.304 24.829 15.793 1.00 40.53 ATOM 287 HB1 GLU 19 -20.213 24.652 16.857 1.00 37.38 ATOM 288 HB2 GLU 19 -20.266 25.894 15.609 1.00 70.11 ATOM 289 CG GLU 19 -19.115 24.176 15.095 1.00 20.10 ATOM 290 HG1 GLU 19 -19.190 24.364 14.031 1.00 37.38 ATOM 291 HG2 GLU 19 -19.156 23.110 15.270 1.00 40.33 ATOM 292 CD GLU 19 -17.779 24.694 15.591 1.00 23.43 ATOM 293 OE1 GLU 19 -17.294 24.212 16.633 1.00 1.23 ATOM 294 OE2 GLU 19 -17.190 25.573 14.930 1.00 11.41 ATOM 295 C GLU 19 -21.920 24.750 13.869 1.00 54.13 ATOM 296 O GLU 19 -21.403 24.161 12.921 1.00 53.41 ATOM 297 N ALA 20 -22.722 25.811 13.722 1.00 44.00 ATOM 298 HN ALA 20 -23.102 26.224 14.525 1.00 37.38 ATOM 299 CA ALA 20 -23.048 26.388 12.405 1.00 43.32 ATOM 300 HA ALA 20 -22.124 26.729 11.957 1.00 73.15 ATOM 301 CB ALA 20 -23.661 25.336 11.486 1.00 72.14 ATOM 302 HB1 ALA 20 -23.858 25.772 10.516 1.00 61.23 ATOM 303 HB2 ALA 20 -24.587 24.975 11.912 1.00 4.43 ATOM 304 HB3 ALA 20 -22.974 24.510 11.375 1.00 73.44 ATOM 305 C ALA 20 -24.004 27.585 12.531 1.00 44.24 ATOM 306 O ALA 20 -24.914 27.579 13.364 1.00 71.53 ATOM 307 N GLY 21 -23.793 28.607 11.699 1.00 13.51 ATOM 308 HN GLY 21 -23.026 28.574 11.090 1.00 37.38 ATOM 309 CA GLY 21 -24.666 29.780 11.699 1.00 62.33 ATOM 310 HA1 GLY 21 -24.051 30.667 11.642 1.00 37.38 ATOM 311 HA2 GLY 21 -25.222 29.805 12.627 1.00 71.21 ATOM 312 C GLY 21 -25.658 29.794 10.532 1.00 63.00 ATOM 313 O GLY 21 -26.870 29.667 10.732 1.00 1.33 ATOM 314 N SER 22 -25.146 29.945 9.310 1.00 32.44 ATOM 315 HN SER 22 -24.175 30.026 9.212 1.00 37.38 ATOM 316 CA SER 22 -25.991 30.014 8.102 1.00 65.02 ATOM 317 HA SER 22 -27.025 30.064 8.415 1.00 72.12 ATOM 318 CB SER 22 -25.652 31.279 7.296 1.00 65.11 ATOM 319 HB1 SER 22 -26.375 31.402 6.503 1.00 37.38 ATOM 320 HB2 SER 22 -24.666 31.177 6.870 1.00 73.42 ATOM 321 OG SER 22 -25.671 32.440 8.115 1.00 4.43 ATOM 322 HG SER 22 -25.055 32.322 8.851 1.00 13.22 ATOM 323 C SER 22 -25.804 28.775 7.209 1.00 34.14 ATOM 324 O SER 22 -24.893 27.974 7.425 1.00 13.25 ATOM 325 N ARG 23 -26.661 28.636 6.193 1.00 41.41 ATOM 326 HN ARG 23 -27.357 29.317 6.062 1.00 37.38 ATOM 327 CA ARG 23 -26.606 27.489 5.274 1.00 21.42 ATOM 328 HA ARG 23 -26.786 26.594 5.857 1.00 34.00 ATOM 329 CB ARG 23 -27.696 27.606 4.198 1.00 3.34 ATOM 330 HB1 ARG 23 -27.495 28.480 3.592 1.00 37.38 ATOM 331 HB2 ARG 23 -28.655 27.729 4.683 1.00 11.54 ATOM 332 CG ARG 23 -27.777 26.389 3.277 1.00 33.31 ATOM 333 HG1 ARG 23 -28.171 25.552 3.837 1.00 37.38 ATOM 334 HG2 ARG 23 -26.782 26.150 2.929 1.00 1.40 ATOM 335 CD ARG 23 -28.670 26.641 2.067 1.00 42.24 ATOM 336 HD1 ARG 23 -28.664 25.758 1.442 1.00 37.38 ATOM 337 HD2 ARG 23 -28.264 27.472 1.508 1.00 14.12 ATOM 338 NE ARG 23 -30.051 26.950 2.434 1.00 32.42 ATOM 339 HE ARG 23 -30.328 26.772 3.356 1.00 75.52 ATOM 340 CZ ARG 23 -30.935 27.430 1.602 1.00 63.13 ATOM 341 NH1 ARG 23 -30.615 27.677 0.369 1.00 61.45 ATOM 342 HH11 ARG 23 -29.687 27.499 0.051 1.00 2.23 ATOM 343 HH12 ARG 23 -31.297 28.043 -0.261 1.00 60.41 ATOM 344 NH2 ARG 23 -32.142 27.652 2.003 1.00 1.10 ATOM 345 HH21 ARG 23 -32.395 27.462 2.948 1.00 73.15 ATOM 346 HH22 ARG 23 -32.827 27.992 1.362 1.00 33.43 ATOM 347 C ARG 23 -25.229 27.365 4.594 1.00 43.55 ATOM 348 O ARG 23 -24.613 26.303 4.616 1.00 12.30 ATOM 349 N ASP 24 -24.750 28.453 3.987 1.00 11.44 ATOM 350 HN ASP 24 -25.280 29.280 3.997 1.00 37.38 ATOM 351 CA ASP 24 -23.456 28.442 3.292 1.00 51.12 ATOM 352 HA ASP 24 -23.517 27.694 2.513 1.00 63.12 ATOM 353 CB ASP 24 -23.203 29.801 2.638 1.00 62.41 ATOM 354 HB1 ASP 24 -22.210 29.816 2.211 1.00 37.38 ATOM 355 HB2 ASP 24 -23.283 30.579 3.386 1.00 14.13 ATOM 356 CG ASP 24 -24.210 30.077 1.537 1.00 1.33 ATOM 357 OD1 ASP 24 -25.252 30.707 1.821 1.00 54.42 ATOM 358 OD2 ASP 24 -23.987 29.623 0.394 1.00 30.21 ATOM 359 C ASP 24 -22.295 28.060 4.228 1.00 12.44 ATOM 360 O ASP 24 -21.292 27.495 3.790 1.00 44.05 ATOM 361 N GLU 25 -22.444 28.349 5.516 1.00 30.45 ATOM 362 HN GLU 25 -23.248 28.826 5.806 1.00 37.38 ATOM 363 CA GLU 25 -21.432 27.974 6.511 1.00 33.35 ATOM 364 HA GLU 25 -20.469 28.289 6.131 1.00 45.24 ATOM 365 CB GLU 25 -21.700 28.702 7.840 1.00 15.04 ATOM 366 HB1 GLU 25 -20.998 28.349 8.582 1.00 37.38 ATOM 367 HB2 GLU 25 -22.704 28.471 8.168 1.00 15.01 ATOM 368 CG GLU 25 -21.566 30.221 7.737 1.00 54.34 ATOM 369 HG1 GLU 25 -22.252 30.577 6.982 1.00 37.38 ATOM 370 HG2 GLU 25 -20.555 30.460 7.438 1.00 13.10 ATOM 371 CD GLU 25 -21.866 30.939 9.046 1.00 40.21 ATOM 372 OE1 GLU 25 -22.952 31.545 9.164 1.00 51.01 ATOM 373 OE2 GLU 25 -21.025 30.898 9.960 1.00 72.42 ATOM 374 C GLU 25 -21.393 26.447 6.715 1.00 40.45 ATOM 375 O GLU 25 -20.360 25.886 7.082 1.00 32.25 ATOM 376 N ARG 26 -22.516 25.775 6.452 1.00 1.52 ATOM 377 HN ARG 26 -23.328 26.276 6.221 1.00 37.38 ATOM 378 CA ARG 26 -22.571 24.306 6.496 1.00 30.14 ATOM 379 HA ARG 26 -22.271 23.994 7.486 1.00 41.42 ATOM 380 CB ARG 26 -23.998 23.810 6.231 1.00 61.01 ATOM 381 HB1 ARG 26 -23.971 22.741 6.063 1.00 37.38 ATOM 382 HB2 ARG 26 -24.367 24.292 5.337 1.00 30.03 ATOM 383 CG ARG 26 -24.980 24.090 7.364 1.00 23.21 ATOM 384 HG1 ARG 26 -25.980 23.848 7.029 1.00 37.38 ATOM 385 HG2 ARG 26 -24.930 25.140 7.618 1.00 53.41 ATOM 386 CD ARG 26 -24.657 23.265 8.607 1.00 15.11 ATOM 387 HD1 ARG 26 -23.693 23.574 8.988 1.00 37.38 ATOM 388 HD2 ARG 26 -24.615 22.222 8.331 1.00 24.44 ATOM 389 NE ARG 26 -25.656 23.435 9.661 1.00 22.55 ATOM 390 HE ARG 26 -26.311 24.154 9.552 1.00 25.42 ATOM 391 CZ ARG 26 -25.715 22.705 10.746 1.00 63.25 ATOM 392 NH1 ARG 26 -24.908 21.708 10.923 1.00 53.55 ATOM 393 HH11 ARG 26 -24.232 21.478 10.226 1.00 2.11 ATOM 394 HH12 ARG 26 -24.956 21.178 11.765 1.00 50.20 ATOM 395 NH2 ARG 26 -26.606 22.970 11.644 1.00 52.22 ATOM 396 HH21 ARG 26 -27.240 23.725 11.504 1.00 12.41 ATOM 397 HH22 ARG 26 -26.652 22.425 12.480 1.00 21.34 ATOM 398 C ARG 26 -21.614 23.680 5.468 1.00 41.34 ATOM 399 O ARG 26 -20.920 22.708 5.764 1.00 14.44 ATOM 400 N ARG 27 -21.581 24.255 4.263 1.00 32.34 ATOM 401 HN ARG 27 -22.151 25.033 4.094 1.00 37.38 ATOM 402 CA ARG 27 -20.711 23.758 3.188 1.00 72.05 ATOM 403 HA ARG 27 -21.023 22.747 2.961 1.00 2.34 ATOM 404 CB ARG 27 -20.853 24.617 1.914 1.00 73.12 ATOM 405 HB1 ARG 27 -20.040 24.378 1.243 1.00 37.38 ATOM 406 HB2 ARG 27 -20.776 25.660 2.189 1.00 62.13 ATOM 407 CG ARG 27 -22.167 24.425 1.151 1.00 53.21 ATOM 408 HG1 ARG 27 -22.421 23.373 1.154 1.00 37.38 ATOM 409 HG2 ARG 27 -22.027 24.752 0.131 1.00 73.40 ATOM 410 CD ARG 27 -23.323 25.211 1.757 1.00 73.12 ATOM 411 HD1 ARG 27 -23.110 26.267 1.670 1.00 37.38 ATOM 412 HD2 ARG 27 -23.415 24.948 2.801 1.00 5.33 ATOM 413 NE ARG 27 -24.587 24.922 1.083 1.00 52.54 ATOM 414 HE ARG 27 -24.863 23.981 1.031 1.00 1.21 ATOM 415 CZ ARG 27 -25.383 25.819 0.565 1.00 11.32 ATOM 416 NH1 ARG 27 -25.076 27.078 0.577 1.00 70.32 ATOM 417 HH11 ARG 27 -24.221 27.381 0.978 1.00 22.12 ATOM 418 HH12 ARG 27 -25.708 27.749 0.187 1.00 63.42 ATOM 419 NH2 ARG 27 -26.488 25.443 0.015 1.00 3.11 ATOM 420 HH21 ARG 27 -26.723 24.472 -0.012 1.00 22.24 ATOM 421 HH22 ARG 27 -27.103 26.120 -0.384 1.00 52.13 ATOM 422 C ARG 27 -19.236 23.724 3.626 1.00 1.54 ATOM 423 O ARG 27 -18.517 22.759 3.353 1.00 30.11 ATOM 424 N ALA 28 -18.802 24.777 4.316 1.00 62.15 ATOM 425 HN ALA 28 -19.433 25.495 4.529 1.00 37.38 ATOM 426 CA ALA 28 -17.414 24.893 4.772 1.00 61.21 ATOM 427 HA ALA 28 -16.771 24.798 3.904 1.00 13.14 ATOM 428 CB ALA 28 -17.180 26.273 5.380 1.00 73.35 ATOM 429 HB1 ALA 28 -17.820 26.400 6.242 1.00 2.14 ATOM 430 HB2 ALA 28 -17.407 27.036 4.649 1.00 13.12 ATOM 431 HB3 ALA 28 -16.146 26.365 5.684 1.00 64.24 ATOM 432 C ALA 28 -17.047 23.794 5.783 1.00 31.45 ATOM 433 O ALA 28 -16.122 23.013 5.556 1.00 13.03 ATOM 434 N LEU 29 -17.788 23.730 6.890 1.00 73.22 ATOM 435 HN LEU 29 -18.546 24.348 6.993 1.00 37.38 ATOM 436 CA LEU 29 -17.498 22.766 7.961 1.00 1.23 ATOM 437 HA LEU 29 -16.457 22.891 8.224 1.00 41.40 ATOM 438 CB LEU 29 -18.351 23.083 9.207 1.00 25.24 ATOM 439 HB1 LEU 29 -18.035 24.046 9.587 1.00 37.38 ATOM 440 HB2 LEU 29 -18.135 22.339 9.962 1.00 14.33 ATOM 441 CG LEU 29 -19.882 23.131 8.995 1.00 63.53 ATOM 442 HG LEU 29 -20.080 23.494 7.994 1.00 35.44 ATOM 443 CD1 LEU 29 -20.513 21.742 9.111 1.00 55.31 ATOM 444 HD11 LEU 29 -21.577 21.816 8.942 1.00 32.10 ATOM 445 HD12 LEU 29 -20.332 21.342 10.098 1.00 13.31 ATOM 446 HD13 LEU 29 -20.077 21.085 8.373 1.00 64.42 ATOM 447 CD2 LEU 29 -20.532 24.102 9.973 1.00 11.32 ATOM 448 HD21 LEU 29 -20.143 25.096 9.805 1.00 13.04 ATOM 449 HD22 LEU 29 -20.312 23.797 10.985 1.00 21.25 ATOM 450 HD23 LEU 29 -21.604 24.105 9.824 1.00 71.20 ATOM 451 C LEU 29 -17.697 21.306 7.505 1.00 73.53 ATOM 452 O LEU 29 -16.977 20.409 7.947 1.00 60.35 ATOM 453 N ALA 30 -18.662 21.077 6.611 1.00 75.41 ATOM 454 HN ALA 30 -19.216 21.828 6.304 1.00 37.38 ATOM 455 CA ALA 30 -18.930 19.729 6.087 1.00 31.04 ATOM 456 HA ALA 30 -19.081 19.071 6.932 1.00 54.33 ATOM 457 CB ALA 30 -20.210 19.726 5.255 1.00 43.04 ATOM 458 HB1 ALA 30 -21.027 20.107 5.850 1.00 74.34 ATOM 459 HB2 ALA 30 -20.436 18.717 4.940 1.00 2.22 ATOM 460 HB3 ALA 30 -20.078 20.352 4.385 1.00 3.54 ATOM 461 C ALA 30 -17.750 19.200 5.255 1.00 22.22 ATOM 462 O ALA 30 -17.313 18.061 5.429 1.00 32.25 ATOM 463 N MET 31 -17.236 20.038 4.356 1.00 35.25 ATOM 464 HN MET 31 -17.642 20.926 4.247 1.00 37.38 ATOM 465 CA MET 31 -16.084 19.670 3.519 1.00 44.35 ATOM 466 HA MET 31 -16.112 18.599 3.371 1.00 24.34 ATOM 467 CB MET 31 -16.188 20.357 2.150 1.00 24.15 ATOM 468 HB1 MET 31 -15.297 20.135 1.578 1.00 37.38 ATOM 469 HB2 MET 31 -16.253 21.425 2.298 1.00 21.50 ATOM 470 CG MET 31 -17.397 19.911 1.337 1.00 2.23 ATOM 471 HG1 MET 31 -17.465 20.526 0.452 1.00 37.38 ATOM 472 HG2 MET 31 -18.286 20.046 1.935 1.00 75.50 ATOM 473 SD MET 31 -17.305 18.180 0.825 1.00 34.24 ATOM 474 CE MET 31 -15.948 18.238 -0.344 1.00 74.32 ATOM 475 HE1 MET 31 -15.788 17.254 -0.759 1.00 43.34 ATOM 476 HE2 MET 31 -15.053 18.567 0.161 1.00 3.30 ATOM 477 HE3 MET 31 -16.188 18.928 -1.140 1.00 34.32 ATOM 478 C MET 31 -14.749 20.028 4.197 1.00 61.54 ATOM 479 O MET 31 -13.682 19.865 3.601 1.00 5.12 ATOM 480 N LYS 32 -14.823 20.518 5.440 1.00 23.12 ATOM 481 HN LYS 32 -15.709 20.673 5.829 1.00 37.38 ATOM 482 CA LYS 32 -13.632 20.837 6.244 1.00 11.35 ATOM 483 HA LYS 32 -13.982 21.204 7.195 1.00 64.02 ATOM 484 CB LYS 32 -12.794 19.563 6.488 1.00 40.32 ATOM 485 HB1 LYS 32 -11.871 19.845 6.981 1.00 37.38 ATOM 486 HB2 LYS 32 -12.551 19.123 5.533 1.00 13.11 ATOM 487 CG LYS 32 -13.481 18.489 7.343 1.00 50.43 ATOM 488 HG1 LYS 32 -13.051 17.527 7.096 1.00 37.38 ATOM 489 HG2 LYS 32 -14.535 18.477 7.105 1.00 4.01 ATOM 490 CD LYS 32 -13.319 18.728 8.853 1.00 72.34 ATOM 491 HD1 LYS 32 -12.279 18.951 9.057 1.00 37.38 ATOM 492 HD2 LYS 32 -13.595 17.824 9.379 1.00 41.43 ATOM 493 CE LYS 32 -14.182 19.877 9.377 1.00 32.03 ATOM 494 HE1 LYS 32 -15.221 19.661 9.168 1.00 37.38 ATOM 495 HE2 LYS 32 -13.897 20.787 8.874 1.00 42.12 ATOM 496 NZ LYS 32 -14.015 20.078 10.840 1.00 31.53 ATOM 497 HZ1 LYS 32 -14.199 19.190 11.349 1.00 71.24 ATOM 498 HZ2 LYS 32 -14.678 20.802 11.180 1.00 3.32 ATOM 499 HZ3 LYS 32 -13.046 20.389 11.050 1.00 30.31 ATOM 500 C LYS 32 -12.762 21.935 5.602 1.00 40.00 ATOM 501 O LYS 32 -11.544 21.961 5.795 1.00 23.33 ATOM 502 N ILE 33 -13.399 22.856 4.874 1.00 75.53 ATOM 503 HN ILE 33 -14.371 22.783 4.770 1.00 37.38 ATOM 504 CA ILE 33 -12.694 23.978 4.231 1.00 75.44 ATOM 505 HA ILE 33 -11.995 23.562 3.518 1.00 33.14 ATOM 506 CB ILE 33 -13.687 24.895 3.463 1.00 53.41 ATOM 507 HB ILE 33 -14.393 25.294 4.179 1.00 71.32 ATOM 508 CG1 ILE 33 -14.460 24.089 2.402 1.00 63.13 ATOM 509 HG11 ILE 33 -15.174 24.740 1.917 1.00 37.38 ATOM 510 HG12 ILE 33 -14.990 23.284 2.888 1.00 72.21 ATOM 511 CG2 ILE 33 -12.960 26.076 2.819 1.00 42.20 ATOM 512 HG21 ILE 33 -13.659 26.654 2.231 1.00 53.50 ATOM 513 HG22 ILE 33 -12.169 25.711 2.179 1.00 72.43 ATOM 514 HG23 ILE 33 -12.536 26.704 3.589 1.00 60.43 ATOM 515 CD1 ILE 33 -13.583 23.479 1.326 1.00 54.33 ATOM 516 HD11 ILE 33 -13.077 24.263 0.783 1.00 5.35 ATOM 517 HD12 ILE 33 -14.195 22.907 0.644 1.00 20.34 ATOM 518 HD13 ILE 33 -12.850 22.827 1.782 1.00 12.34 ATOM 519 C ILE 33 -11.919 24.820 5.269 1.00 1.43 ATOM 520 O ILE 33 -12.520 25.427 6.155 1.00 60.00 ATOM 521 N PRO 34 -10.573 24.884 5.162 1.00 50.21 ATOM 522 CA PRO 34 -9.712 25.530 6.183 1.00 22.22 ATOM 523 HA PRO 34 -9.937 25.155 7.171 1.00 31.32 ATOM 524 CB PRO 34 -8.306 25.062 5.779 1.00 1.50 ATOM 525 HB1 PRO 34 -8.070 24.139 6.286 1.00 37.38 ATOM 526 HB2 PRO 34 -7.575 25.817 6.038 1.00 52.51 ATOM 527 CG PRO 34 -8.393 24.864 4.305 1.00 33.45 ATOM 528 HG1 PRO 34 -7.645 24.155 3.983 1.00 37.38 ATOM 529 HG2 PRO 34 -8.257 25.809 3.797 1.00 31.43 ATOM 530 CD PRO 34 -9.776 24.324 4.049 1.00 73.40 ATOM 531 HD1 PRO 34 -9.775 23.244 4.081 1.00 37.38 ATOM 532 HD2 PRO 34 -10.148 24.673 3.095 1.00 73.21 ATOM 533 C PRO 34 -9.780 27.075 6.207 1.00 61.25 ATOM 534 O PRO 34 -8.944 27.725 6.844 1.00 41.03 ATOM 535 N PHE 35 -10.766 27.661 5.529 1.00 30.14 ATOM 536 HN PHE 35 -11.400 27.104 5.033 1.00 37.38 ATOM 537 CA PHE 35 -10.938 29.124 5.515 1.00 50.33 ATOM 538 HA PHE 35 -10.530 29.502 6.444 1.00 22.14 ATOM 539 CB PHE 35 -10.150 29.752 4.347 1.00 44.45 ATOM 540 HB1 PHE 35 -9.092 29.658 4.553 1.00 37.38 ATOM 541 HB2 PHE 35 -10.397 30.802 4.277 1.00 23.31 ATOM 542 CG PHE 35 -10.414 29.127 3.001 1.00 61.51 ATOM 543 CD1 PHE 35 -9.690 28.019 2.587 1.00 23.23 ATOM 544 HD1 PHE 35 -8.940 27.599 3.244 1.00 30.31 ATOM 545 CD2 PHE 35 -11.372 29.651 2.146 1.00 25.22 ATOM 546 HD2 PHE 35 -11.943 30.515 2.455 1.00 5.13 ATOM 547 CE1 PHE 35 -9.918 27.446 1.352 1.00 61.13 ATOM 548 HE1 PHE 35 -9.345 26.583 1.042 1.00 42.33 ATOM 549 CE2 PHE 35 -11.604 29.082 0.910 1.00 73.21 ATOM 550 HE2 PHE 35 -12.355 29.500 0.254 1.00 3.33 ATOM 551 CZ PHE 35 -10.876 27.980 0.513 1.00 4.35 ATOM 552 HZ PHE 35 -11.056 27.533 -0.455 1.00 24.55 ATOM 553 C PHE 35 -12.427 29.517 5.463 1.00 12.32 ATOM 554 O PHE 35 -13.252 28.790 4.906 1.00 1.43 ATOM 555 N PRO 36 -12.789 30.676 6.056 1.00 44.03 ATOM 556 CA PRO 36 -14.196 31.085 6.221 1.00 2.40 ATOM 557 HA PRO 36 -14.787 30.281 6.636 1.00 52.25 ATOM 558 CB PRO 36 -14.100 32.220 7.245 1.00 42.14 ATOM 559 HB1 PRO 36 -14.173 31.818 8.245 1.00 37.38 ATOM 560 HB2 PRO 36 -14.898 32.933 7.081 1.00 64.44 ATOM 561 CG PRO 36 -12.761 32.826 6.999 1.00 1.32 ATOM 562 HG1 PRO 36 -12.402 33.304 7.899 1.00 37.38 ATOM 563 HG2 PRO 36 -12.826 33.545 6.193 1.00 62.12 ATOM 564 CD PRO 36 -11.858 31.683 6.613 1.00 61.13 ATOM 565 HD1 PRO 36 -11.348 31.293 7.482 1.00 37.38 ATOM 566 HD2 PRO 36 -11.142 32.002 5.868 1.00 32.11 ATOM 567 C PRO 36 -14.868 31.583 4.927 1.00 25.42 ATOM 568 O PRO 36 -14.208 32.073 4.007 1.00 64.43 ATOM 569 N THR 37 -16.199 31.476 4.891 1.00 50.12 ATOM 570 HN THR 37 -16.660 31.111 5.677 1.00 37.38 ATOM 571 CA THR 37 -17.003 31.882 3.725 1.00 63.04 ATOM 572 HA THR 37 -16.603 31.384 2.855 1.00 51.51 ATOM 573 CB THR 37 -18.481 31.455 3.891 1.00 60.31 ATOM 574 HB THR 37 -19.035 31.767 3.014 1.00 65.40 ATOM 575 OG1 THR 37 -19.046 32.090 5.050 1.00 72.23 ATOM 576 HG1 THR 37 -19.999 32.185 4.932 1.00 61.12 ATOM 577 CG2 THR 37 -18.600 29.939 4.032 1.00 3.12 ATOM 578 HG21 THR 37 -19.639 29.667 4.152 1.00 34.05 ATOM 579 HG22 THR 37 -18.040 29.612 4.897 1.00 53.31 ATOM 580 HG23 THR 37 -18.205 29.461 3.147 1.00 61.12 ATOM 581 C THR 37 -16.963 33.399 3.493 1.00 73.14 ATOM 582 O THR 37 -16.878 33.860 2.353 1.00 31.43 ATOM 583 N ASP 38 -17.041 34.165 4.581 1.00 70.21 ATOM 584 HN ASP 38 -17.142 33.731 5.454 1.00 37.38 ATOM 585 CA ASP 38 -16.989 35.633 4.519 1.00 4.54 ATOM 586 HA ASP 38 -17.893 35.970 4.033 1.00 25.33 ATOM 587 CB ASP 38 -16.952 36.209 5.940 1.00 53.31 ATOM 588 HB1 ASP 38 -17.954 36.216 6.345 1.00 37.38 ATOM 589 HB2 ASP 38 -16.579 37.224 5.905 1.00 32.15 ATOM 590 CG ASP 38 -16.061 35.397 6.867 1.00 15.25 ATOM 591 OD1 ASP 38 -14.833 35.612 6.866 1.00 41.41 ATOM 592 OD2 ASP 38 -16.593 34.524 7.591 1.00 14.35 ATOM 593 C ASP 38 -15.785 36.129 3.701 1.00 11.14 ATOM 594 O ASP 38 -15.925 36.991 2.826 1.00 4.24 ATOM 595 N LYS 39 -14.609 35.583 3.991 1.00 2.20 ATOM 596 HN LYS 39 -14.545 34.975 4.758 1.00 37.38 ATOM 597 CA LYS 39 -13.399 35.883 3.221 1.00 42.52 ATOM 598 HA LYS 39 -13.161 36.927 3.366 1.00 61.42 ATOM 599 CB LYS 39 -12.233 35.025 3.732 1.00 35.21 ATOM 600 HB1 LYS 39 -12.496 33.981 3.625 1.00 37.38 ATOM 601 HB2 LYS 39 -12.077 35.238 4.781 1.00 61.02 ATOM 602 CG LYS 39 -10.919 35.265 2.992 1.00 70.14 ATOM 603 HG1 LYS 39 -10.585 36.274 3.189 1.00 37.38 ATOM 604 HG2 LYS 39 -11.089 35.144 1.931 1.00 54.21 ATOM 605 CD LYS 39 -9.832 34.288 3.430 1.00 11.44 ATOM 606 HD1 LYS 39 -8.934 34.485 2.860 1.00 37.38 ATOM 607 HD2 LYS 39 -10.167 33.280 3.231 1.00 12.23 ATOM 608 CE LYS 39 -9.509 34.413 4.913 1.00 23.14 ATOM 609 HE1 LYS 39 -8.772 33.668 5.168 1.00 37.38 ATOM 610 HE2 LYS 39 -10.408 34.233 5.482 1.00 55.52 ATOM 611 NZ LYS 39 -8.978 35.755 5.266 1.00 63.22 ATOM 612 HZ1 LYS 39 -9.702 36.484 5.102 1.00 72.10 ATOM 613 HZ2 LYS 39 -8.147 35.978 4.684 1.00 32.42 ATOM 614 HZ3 LYS 39 -8.702 35.778 6.268 1.00 1.31 ATOM 615 C LYS 39 -13.617 35.622 1.721 1.00 34.24 ATOM 616 O LYS 39 -13.381 36.496 0.887 1.00 44.51 ATOM 617 N ILE 40 -14.094 34.416 1.403 1.00 32.34 ATOM 618 HN ILE 40 -14.310 33.793 2.126 1.00 37.38 ATOM 619 CA ILE 40 -14.314 33.985 0.014 1.00 3.41 ATOM 620 HA ILE 40 -13.347 33.878 -0.457 1.00 75.51 ATOM 621 CB ILE 40 -15.034 32.609 -0.031 1.00 62.05 ATOM 622 HB ILE 40 -16.023 32.736 0.391 1.00 44.21 ATOM 623 CG1 ILE 40 -14.268 31.566 0.800 1.00 54.53 ATOM 624 HG11 ILE 40 -14.138 31.941 1.805 1.00 37.38 ATOM 625 HG12 ILE 40 -13.297 31.400 0.356 1.00 2.31 ATOM 626 CG2 ILE 40 -15.197 32.129 -1.473 1.00 51.12 ATOM 627 HG21 ILE 40 -14.224 32.043 -1.938 1.00 15.12 ATOM 628 HG22 ILE 40 -15.796 32.838 -2.025 1.00 2.23 ATOM 629 HG23 ILE 40 -15.686 31.165 -1.481 1.00 21.41 ATOM 630 CD1 ILE 40 -14.970 30.225 0.893 1.00 44.03 ATOM 631 HD11 ILE 40 -15.069 29.801 -0.096 1.00 74.44 ATOM 632 HD12 ILE 40 -15.951 30.360 1.327 1.00 65.00 ATOM 633 HD13 ILE 40 -14.389 29.560 1.514 1.00 13.44 ATOM 634 C ILE 40 -15.151 34.999 -0.787 1.00 52.30 ATOM 635 O ILE 40 -14.880 35.259 -1.960 1.00 3.10 ATOM 636 N VAL 41 -16.173 35.559 -0.147 1.00 43.42 ATOM 637 HN VAL 41 -16.328 35.326 0.794 1.00 37.38 ATOM 638 CA VAL 41 -17.080 36.504 -0.808 1.00 2.12 ATOM 639 HA VAL 41 -17.330 36.096 -1.780 1.00 52.52 ATOM 640 CB VAL 41 -18.396 36.664 -0.005 1.00 2.32 ATOM 641 HB VAL 41 -18.151 37.069 0.967 1.00 53.24 ATOM 642 CG1 VAL 41 -19.344 37.640 -0.696 1.00 65.23 ATOM 643 HG11 VAL 41 -19.591 37.268 -1.680 1.00 4.41 ATOM 644 HG12 VAL 41 -18.867 38.606 -0.788 1.00 40.54 ATOM 645 HG13 VAL 41 -20.248 37.741 -0.114 1.00 62.21 ATOM 646 CG2 VAL 41 -19.069 35.309 0.203 1.00 61.14 ATOM 647 HG21 VAL 41 -19.302 34.870 -0.757 1.00 1.31 ATOM 648 HG22 VAL 41 -19.981 35.442 0.767 1.00 35.32 ATOM 649 HG23 VAL 41 -18.402 34.654 0.746 1.00 74.03 ATOM 650 C VAL 41 -16.440 37.890 -1.005 1.00 1.41 ATOM 651 O VAL 41 -16.539 38.484 -2.083 1.00 25.24 ATOM 652 N ASN 42 -15.782 38.400 0.035 1.00 61.45 ATOM 653 HN ASN 42 -15.669 37.852 0.841 1.00 37.38 ATOM 654 CA ASN 42 -15.217 39.757 0.000 1.00 45.24 ATOM 655 HA ASN 42 -15.947 40.390 -0.488 1.00 61.13 ATOM 656 CB ASN 42 -14.998 40.289 1.423 1.00 1.00 ATOM 657 HB1 ASN 42 -14.408 41.195 1.379 1.00 37.38 ATOM 658 HB2 ASN 42 -14.466 39.547 2.001 1.00 11.52 ATOM 659 CG ASN 42 -16.307 40.603 2.129 1.00 13.35 ATOM 660 OD1 ASN 42 -16.832 41.709 2.035 1.00 43.30 ATOM 661 ND2 ASN 42 -16.846 39.639 2.843 1.00 72.13 ATOM 662 HD21 ASN 42 -16.383 38.780 2.884 1.00 33.15 ATOM 663 HD22 ASN 42 -17.693 39.822 3.301 1.00 12.14 ATOM 664 C ASN 42 -13.909 39.840 -0.808 1.00 20.33 ATOM 665 O ASN 42 -13.504 40.931 -1.220 1.00 52.03 ATOM 666 N LEU 43 -13.242 38.708 -1.028 1.00 75.35 ATOM 667 HN LEU 43 -13.569 37.869 -0.633 1.00 37.38 ATOM 668 CA LEU 43 -12.022 38.692 -1.849 1.00 23.44 ATOM 669 HA LEU 43 -11.402 39.512 -1.518 1.00 21.21 ATOM 670 CB LEU 43 -11.241 37.380 -1.669 1.00 32.32 ATOM 671 HB1 LEU 43 -10.461 37.349 -2.417 1.00 37.38 ATOM 672 HB2 LEU 43 -11.919 36.558 -1.854 1.00 23.14 ATOM 673 CG LEU 43 -10.590 37.163 -0.292 1.00 71.11 ATOM 674 HG LEU 43 -11.368 37.016 0.445 1.00 44.22 ATOM 675 CD1 LEU 43 -9.724 35.905 -0.306 1.00 72.44 ATOM 676 HD11 LEU 43 -9.259 35.775 0.660 1.00 32.23 ATOM 677 HD12 LEU 43 -8.959 36.001 -1.064 1.00 13.33 ATOM 678 HD13 LEU 43 -10.340 35.045 -0.526 1.00 33.35 ATOM 679 CD2 LEU 43 -9.766 38.378 0.129 1.00 24.13 ATOM 680 HD21 LEU 43 -9.323 38.194 1.098 1.00 51.34 ATOM 681 HD22 LEU 43 -10.407 39.245 0.188 1.00 24.42 ATOM 682 HD23 LEU 43 -8.984 38.556 -0.596 1.00 5.11 ATOM 683 C LEU 43 -12.343 38.891 -3.341 1.00 23.24 ATOM 684 O LEU 43 -13.230 38.234 -3.893 1.00 71.54 ATOM 685 N PRO 44 -11.630 39.812 -4.018 1.00 21.45 ATOM 686 CA PRO 44 -11.754 39.985 -5.473 1.00 32.11 ATOM 687 HA PRO 44 -12.783 40.156 -5.764 1.00 72.23 ATOM 688 CB PRO 44 -10.917 41.240 -5.757 1.00 5.52 ATOM 689 HB1 PRO 44 -11.560 42.109 -5.780 1.00 37.38 ATOM 690 HB2 PRO 44 -10.416 41.137 -6.710 1.00 64.13 ATOM 691 CG PRO 44 -9.942 41.313 -4.631 1.00 50.23 ATOM 692 HG1 PRO 44 -9.657 42.341 -4.455 1.00 37.38 ATOM 693 HG2 PRO 44 -9.069 40.718 -4.861 1.00 10.14 ATOM 694 CD PRO 44 -10.656 40.753 -3.428 1.00 20.12 ATOM 695 HD1 PRO 44 -11.162 41.540 -2.885 1.00 37.38 ATOM 696 HD2 PRO 44 -9.960 40.236 -2.784 1.00 3.33 ATOM 697 C PRO 44 -11.202 38.769 -6.240 1.00 23.51 ATOM 698 O PRO 44 -10.476 37.948 -5.674 1.00 11.01 ATOM 699 N VAL 45 -11.533 38.663 -7.529 1.00 74.44 ATOM 700 HN VAL 45 -12.056 39.381 -7.948 1.00 37.38 ATOM 701 CA VAL 45 -11.132 37.499 -8.342 1.00 31.22 ATOM 702 HA VAL 45 -11.677 36.644 -7.961 1.00 25.41 ATOM 703 CB VAL 45 -11.526 37.686 -9.833 1.00 11.04 ATOM 704 HB VAL 45 -12.601 37.820 -9.878 1.00 63.20 ATOM 705 CG1 VAL 45 -10.877 38.936 -10.424 1.00 72.13 ATOM 706 HG11 VAL 45 -11.175 39.045 -11.457 1.00 0.54 ATOM 707 HG12 VAL 45 -9.802 38.847 -10.367 1.00 61.24 ATOM 708 HG13 VAL 45 -11.195 39.805 -9.865 1.00 23.23 ATOM 709 CG2 VAL 45 -11.175 36.445 -10.655 1.00 73.43 ATOM 710 HG21 VAL 45 -11.503 36.583 -11.676 1.00 43.35 ATOM 711 HG22 VAL 45 -11.669 35.582 -10.235 1.00 54.31 ATOM 712 HG23 VAL 45 -10.105 36.288 -10.640 1.00 54.21 ATOM 713 C VAL 45 -9.620 37.197 -8.227 1.00 22.23 ATOM 714 O VAL 45 -9.214 36.035 -8.189 1.00 41.44 ATOM 715 N ASP 46 -8.800 38.245 -8.149 1.00 12.34 ATOM 716 HN ASP 46 -9.175 39.148 -8.217 1.00 37.38 ATOM 717 CA ASP 46 -7.348 38.090 -7.978 1.00 24.11 ATOM 718 HA ASP 46 -6.970 37.546 -8.834 1.00 40.22 ATOM 719 CB ASP 46 -6.684 39.471 -7.936 1.00 53.33 ATOM 720 HB1 ASP 46 -5.620 39.350 -7.780 1.00 37.38 ATOM 721 HB2 ASP 46 -7.099 40.040 -7.114 1.00 74.54 ATOM 722 CG ASP 46 -6.899 40.252 -9.217 1.00 1.35 ATOM 723 OD1 ASP 46 -8.035 40.718 -9.450 1.00 23.15 ATOM 724 OD2 ASP 46 -5.940 40.396 -10.004 1.00 14.54 ATOM 725 C ASP 46 -7.008 37.301 -6.698 1.00 41.34 ATOM 726 O ASP 46 -6.473 36.191 -6.762 1.00 63.14 ATOM 727 N ASP 47 -7.354 37.864 -5.538 1.00 21.11 ATOM 728 HN ASP 47 -7.791 38.743 -5.545 1.00 37.38 ATOM 729 CA ASP 47 -7.089 37.211 -4.250 1.00 11.34 ATOM 730 HA ASP 47 -6.022 37.044 -4.181 1.00 71.33 ATOM 731 CB ASP 47 -7.518 38.121 -3.097 1.00 15.44 ATOM 732 HB1 ASP 47 -7.422 37.583 -2.163 1.00 37.38 ATOM 733 HB2 ASP 47 -8.554 38.403 -3.236 1.00 1.15 ATOM 734 CG ASP 47 -6.680 39.383 -3.017 1.00 11.30 ATOM 735 OD1 ASP 47 -5.637 39.369 -2.329 1.00 40.25 ATOM 736 OD2 ASP 47 -7.056 40.396 -3.639 1.00 33.03 ATOM 737 C ASP 47 -7.802 35.851 -4.141 1.00 13.02 ATOM 738 O ASP 47 -7.332 34.954 -3.446 1.00 4.14 ATOM 739 N PHE 48 -8.932 35.708 -4.836 1.00 51.31 ATOM 740 HN PHE 48 -9.267 36.468 -5.357 1.00 37.38 ATOM 741 CA PHE 48 -9.693 34.450 -4.842 1.00 34.43 ATOM 742 HA PHE 48 -9.958 34.221 -3.819 1.00 54.13 ATOM 743 CB PHE 48 -10.983 34.621 -5.659 1.00 32.53 ATOM 744 HB1 PHE 48 -10.725 34.914 -6.667 1.00 37.38 ATOM 745 HB2 PHE 48 -11.582 35.401 -5.210 1.00 30.23 ATOM 746 CG PHE 48 -11.830 33.370 -5.736 1.00 3.20 ATOM 747 CD1 PHE 48 -11.786 32.551 -6.856 1.00 52.24 ATOM 748 HD1 PHE 48 -11.138 32.815 -7.680 1.00 25.40 ATOM 749 CD2 PHE 48 -12.666 33.018 -4.687 1.00 62.31 ATOM 750 HD2 PHE 48 -12.708 33.646 -3.807 1.00 0.30 ATOM 751 CE1 PHE 48 -12.559 31.408 -6.927 1.00 44.23 ATOM 752 HE1 PHE 48 -12.517 30.781 -7.805 1.00 64.23 ATOM 753 CE2 PHE 48 -13.439 31.875 -4.755 1.00 31.55 ATOM 754 HE2 PHE 48 -14.085 31.610 -3.933 1.00 25.35 ATOM 755 CZ PHE 48 -13.386 31.069 -5.875 1.00 53.12 ATOM 756 HZ PHE 48 -13.994 30.175 -5.928 1.00 61.34 ATOM 757 C PHE 48 -8.858 33.289 -5.408 1.00 35.11 ATOM 758 O PHE 48 -8.645 32.274 -4.739 1.00 3.32 ATOM 759 N ASN 49 -8.384 33.444 -6.645 1.00 71.40 ATOM 760 HN ASN 49 -8.581 34.275 -7.130 1.00 37.38 ATOM 761 CA ASN 49 -7.577 32.401 -7.297 1.00 31.33 ATOM 762 HA ASN 49 -8.151 31.485 -7.263 1.00 30.41 ATOM 763 CB ASN 49 -7.310 32.756 -8.764 1.00 34.50 ATOM 764 HB1 ASN 49 -6.596 32.055 -9.174 1.00 37.38 ATOM 765 HB2 ASN 49 -6.899 33.754 -8.819 1.00 60.44 ATOM 766 CG ASN 49 -8.571 32.706 -9.610 1.00 73.31 ATOM 767 OD1 ASN 49 -8.941 31.663 -10.140 1.00 45.04 ATOM 768 ND2 ASN 49 -9.238 33.829 -9.759 1.00 55.05 ATOM 769 HD21 ASN 49 -8.893 34.634 -9.325 1.00 43.12 ATOM 770 HD22 ASN 49 -10.057 33.811 -10.295 1.00 23.24 ATOM 771 C ASN 49 -6.250 32.162 -6.557 1.00 52.11 ATOM 772 O ASN 49 -5.745 31.036 -6.519 1.00 44.05 ATOM 773 N GLU 50 -5.680 33.220 -5.984 1.00 21.14 ATOM 774 HN GLU 50 -6.064 34.112 -6.136 1.00 37.38 ATOM 775 CA GLU 50 -4.476 33.094 -5.152 1.00 71.44 ATOM 776 HA GLU 50 -3.765 32.496 -5.707 1.00 52.32 ATOM 777 CB GLU 50 -3.855 34.480 -4.890 1.00 11.32 ATOM 778 HB1 GLU 50 -3.360 34.467 -3.929 1.00 37.38 ATOM 779 HB2 GLU 50 -4.646 35.216 -4.862 1.00 71.23 ATOM 780 CG GLU 50 -2.833 34.920 -5.942 1.00 10.42 ATOM 781 HG1 GLU 50 -2.029 34.196 -5.959 1.00 37.38 ATOM 782 HG2 GLU 50 -2.434 35.880 -5.648 1.00 32.31 ATOM 783 CD GLU 50 -3.402 35.046 -7.351 1.00 12.53 ATOM 784 OE1 GLU 50 -3.699 36.182 -7.782 1.00 23.35 ATOM 785 OE2 GLU 50 -3.528 34.014 -8.048 1.00 41.34 ATOM 786 C GLU 50 -4.779 32.372 -3.823 1.00 3.43 ATOM 787 O GLU 50 -3.958 31.605 -3.323 1.00 71.31 ATOM 788 N LEU 51 -5.967 32.609 -3.267 1.00 74.52 ATOM 789 HN LEU 51 -6.563 33.264 -3.685 1.00 37.38 ATOM 790 CA LEU 51 -6.407 31.927 -2.039 1.00 23.15 ATOM 791 HA LEU 51 -5.708 32.174 -1.250 1.00 1.10 ATOM 792 CB LEU 51 -7.810 32.412 -1.640 1.00 53.43 ATOM 793 HB1 LEU 51 -8.493 32.167 -2.442 1.00 37.38 ATOM 794 HB2 LEU 51 -7.777 33.488 -1.540 1.00 1.32 ATOM 795 CG LEU 51 -8.374 31.824 -0.334 1.00 12.02 ATOM 796 HG LEU 51 -8.322 30.745 -0.385 1.00 42.25 ATOM 797 CD1 LEU 51 -7.548 32.278 0.867 1.00 50.44 ATOM 798 HD11 LEU 51 -7.957 31.845 1.769 1.00 30.21 ATOM 799 HD12 LEU 51 -7.579 33.356 0.940 1.00 61.03 ATOM 800 HD13 LEU 51 -6.524 31.954 0.747 1.00 43.33 ATOM 801 CD2 LEU 51 -9.839 32.213 -0.153 1.00 42.24 ATOM 802 HD21 LEU 51 -10.418 31.844 -0.987 1.00 2.45 ATOM 803 HD22 LEU 51 -9.923 33.289 -0.104 1.00 63.14 ATOM 804 HD23 LEU 51 -10.214 31.783 0.765 1.00 11.31 ATOM 805 C LEU 51 -6.421 30.402 -2.232 1.00 31.44 ATOM 806 O LEU 51 -5.992 29.645 -1.358 1.00 51.43 ATOM 807 N LEU 52 -6.915 29.966 -3.390 1.00 42.01 ATOM 808 HN LEU 52 -7.274 30.623 -4.026 1.00 37.38 ATOM 809 CA LEU 52 -6.956 28.538 -3.740 1.00 74.35 ATOM 810 HA LEU 52 -7.480 28.020 -2.947 1.00 52.53 ATOM 811 CB LEU 52 -7.730 28.342 -5.052 1.00 15.43 ATOM 812 HB1 LEU 52 -7.734 27.287 -5.288 1.00 37.38 ATOM 813 HB2 LEU 52 -7.200 28.867 -5.837 1.00 23.32 ATOM 814 CG LEU 52 -9.190 28.839 -5.032 1.00 71.13 ATOM 815 HG LEU 52 -9.195 29.904 -4.846 1.00 71.01 ATOM 816 CD1 LEU 52 -9.864 28.604 -6.384 1.00 0.22 ATOM 817 HD11 LEU 52 -9.868 27.547 -6.611 1.00 22.22 ATOM 818 HD12 LEU 52 -9.321 29.133 -7.155 1.00 24.31 ATOM 819 HD13 LEU 52 -10.881 28.969 -6.350 1.00 50.02 ATOM 820 CD2 LEU 52 -9.979 28.163 -3.906 1.00 71.20 ATOM 821 HD21 LEU 52 -9.969 27.091 -4.045 1.00 41.43 ATOM 822 HD22 LEU 52 -11.001 28.515 -3.920 1.00 25.41 ATOM 823 HD23 LEU 52 -9.532 28.406 -2.952 1.00 5.24 ATOM 824 C LEU 52 -5.542 27.938 -3.867 1.00 65.12 ATOM 825 O LEU 52 -5.363 26.722 -3.795 1.00 35.12 ATOM 826 N ALA 53 -4.547 28.800 -4.068 1.00 51.41 ATOM 827 HN ALA 53 -4.756 29.753 -4.157 1.00 37.38 ATOM 828 CA ALA 53 -3.145 28.370 -4.162 1.00 51.13 ATOM 829 HA ALA 53 -3.130 27.371 -4.578 1.00 62.31 ATOM 830 CB ALA 53 -2.387 29.286 -5.117 1.00 40.44 ATOM 831 HB1 ALA 53 -2.416 30.300 -4.745 1.00 74.43 ATOM 832 HB2 ALA 53 -2.846 29.248 -6.094 1.00 22.22 ATOM 833 HB3 ALA 53 -1.360 28.961 -5.190 1.00 25.32 ATOM 834 C ALA 53 -2.458 28.343 -2.782 1.00 63.02 ATOM 835 O ALA 53 -1.285 27.979 -2.667 1.00 24.00 ATOM 836 N ARG 54 -3.190 28.736 -1.740 1.00 31.43 ATOM 837 HN ARG 54 -4.114 29.024 -1.896 1.00 37.38 ATOM 838 CA ARG 54 -2.654 28.757 -0.371 1.00 73.32 ATOM 839 HA ARG 54 -1.578 28.841 -0.430 1.00 74.51 ATOM 840 CB ARG 54 -3.203 29.965 0.399 1.00 74.33 ATOM 841 HB1 ARG 54 -2.782 29.962 1.393 1.00 37.38 ATOM 842 HB2 ARG 54 -4.278 29.867 0.478 1.00 73.33 ATOM 843 CG ARG 54 -2.897 31.313 -0.240 1.00 10.01 ATOM 844 HG1 ARG 54 -3.324 31.340 -1.233 1.00 37.38 ATOM 845 HG2 ARG 54 -1.825 31.438 -0.303 1.00 62.12 ATOM 846 CD ARG 54 -3.482 32.452 0.585 1.00 52.42 ATOM 847 HD1 ARG 54 -2.999 32.462 1.552 1.00 37.38 ATOM 848 HD2 ARG 54 -4.542 32.279 0.717 1.00 0.12 ATOM 849 NE ARG 54 -3.291 33.750 -0.049 1.00 40.13 ATOM 850 HE ARG 54 -2.714 33.792 -0.839 1.00 11.43 ATOM 851 CZ ARG 54 -3.846 34.851 0.367 1.00 31.12 ATOM 852 NH1 ARG 54 -4.588 34.850 1.430 1.00 12.44 ATOM 853 HH11 ARG 54 -4.731 34.005 1.935 1.00 20.44 ATOM 854 HH12 ARG 54 -5.019 35.697 1.737 1.00 0.23 ATOM 855 NH2 ARG 54 -3.634 35.957 -0.267 1.00 22.45 ATOM 856 HH21 ARG 54 -3.043 35.963 -1.073 1.00 63.23 ATOM 857 HH22 ARG 54 -4.059 36.803 0.050 1.00 12.40 ATOM 858 C ARG 54 -3.012 27.477 0.400 1.00 53.52 ATOM 859 O ARG 54 -2.137 26.773 0.904 1.00 32.22 ATOM 860 N TYR 55 -4.309 27.190 0.488 1.00 64.03 ATOM 861 HN TYR 55 -4.950 27.735 -0.015 1.00 37.38 ATOM 862 CA TYR 55 -4.809 26.073 1.302 1.00 25.43 ATOM 863 HA TYR 55 -4.082 25.879 2.079 1.00 1.31 ATOM 864 CB TYR 55 -6.136 26.469 1.958 1.00 15.44 ATOM 865 HB1 TYR 55 -6.517 25.628 2.522 1.00 37.38 ATOM 866 HB2 TYR 55 -6.850 26.728 1.186 1.00 40.21 ATOM 867 CG TYR 55 -6.009 27.650 2.901 1.00 1.11 ATOM 868 CD1 TYR 55 -5.619 27.468 4.223 1.00 32.21 ATOM 869 HD1 TYR 55 -5.414 26.466 4.578 1.00 3.53 ATOM 870 CD2 TYR 55 -6.266 28.947 2.468 1.00 44.31 ATOM 871 HD2 TYR 55 -6.572 29.109 1.443 1.00 40.13 ATOM 872 CE1 TYR 55 -5.487 28.540 5.084 1.00 51.24 ATOM 873 HE1 TYR 55 -5.183 28.376 6.106 1.00 62.42 ATOM 874 CE2 TYR 55 -6.138 30.023 3.323 1.00 20.23 ATOM 875 HE2 TYR 55 -6.343 31.020 2.968 1.00 23.23 ATOM 876 CZ TYR 55 -5.748 29.817 4.629 1.00 22.14 ATOM 877 OH TYR 55 -5.615 30.892 5.480 1.00 23.11 ATOM 878 HH TYR 55 -6.429 31.412 5.468 1.00 42.53 ATOM 879 C TYR 55 -4.991 24.796 0.469 1.00 43.23 ATOM 880 O TYR 55 -5.331 24.862 -0.713 1.00 31.23 ATOM 881 N PRO 56 -4.759 23.614 1.077 1.00 21.02 ATOM 882 CA PRO 56 -4.906 22.324 0.384 1.00 61.01 ATOM 883 HA PRO 56 -4.359 22.315 -0.548 1.00 31.25 ATOM 884 CB PRO 56 -4.264 21.327 1.362 1.00 51.12 ATOM 885 HB1 PRO 56 -3.219 21.197 1.118 1.00 37.38 ATOM 886 HB2 PRO 56 -4.772 20.375 1.300 1.00 44.41 ATOM 887 CG PRO 56 -4.435 21.954 2.705 1.00 70.21 ATOM 888 HG1 PRO 56 -3.652 21.616 3.371 1.00 37.38 ATOM 889 HG2 PRO 56 -5.406 21.702 3.110 1.00 31.13 ATOM 890 CD PRO 56 -4.329 23.442 2.483 1.00 34.43 ATOM 891 HD1 PRO 56 -3.309 23.775 2.618 1.00 37.38 ATOM 892 HD2 PRO 56 -4.990 23.971 3.154 1.00 53.34 ATOM 893 C PRO 56 -6.375 21.957 0.109 1.00 62.24 ATOM 894 O PRO 56 -7.138 21.650 1.028 1.00 34.10 ATOM 895 N LEU 57 -6.772 22.007 -1.162 1.00 0.31 ATOM 896 HN LEU 57 -6.128 22.279 -1.850 1.00 37.38 ATOM 897 CA LEU 57 -8.146 21.681 -1.562 1.00 24.24 ATOM 898 HA LEU 57 -8.652 21.244 -0.711 1.00 63.21 ATOM 899 CB LEU 57 -8.893 22.954 -1.990 1.00 11.33 ATOM 900 HB1 LEU 57 -9.893 22.671 -2.291 1.00 37.38 ATOM 901 HB2 LEU 57 -8.386 23.371 -2.852 1.00 12.44 ATOM 902 CG LEU 57 -9.009 24.055 -0.926 1.00 43.31 ATOM 903 HG LEU 57 -8.014 24.338 -0.604 1.00 11.15 ATOM 904 CD1 LEU 57 -9.681 25.294 -1.510 1.00 40.24 ATOM 905 HD11 LEU 57 -9.127 25.633 -2.373 1.00 74.00 ATOM 906 HD12 LEU 57 -9.701 26.078 -0.768 1.00 62.52 ATOM 907 HD13 LEU 57 -10.693 25.053 -1.805 1.00 71.33 ATOM 908 CD2 LEU 57 -9.778 23.553 0.294 1.00 52.42 ATOM 909 HD21 LEU 57 -9.850 24.343 1.027 1.00 11.14 ATOM 910 HD22 LEU 57 -9.257 22.711 0.726 1.00 53.23 ATOM 911 HD23 LEU 57 -10.771 23.247 -0.004 1.00 44.43 ATOM 912 C LEU 57 -8.165 20.675 -2.721 1.00 51.33 ATOM 913 O LEU 57 -7.300 20.702 -3.595 1.00 23.50 ATOM 914 N THR 58 -9.155 19.788 -2.719 1.00 71.34 ATOM 915 HN THR 58 -9.760 19.754 -1.948 1.00 37.38 ATOM 916 CA THR 58 -9.363 18.849 -3.831 1.00 54.32 ATOM 917 HA THR 58 -8.399 18.618 -4.267 1.00 43.34 ATOM 918 CB THR 58 -10.012 17.528 -3.351 1.00 33.22 ATOM 919 HB THR 58 -10.021 16.828 -4.174 1.00 64.43 ATOM 920 OG1 THR 58 -11.364 17.761 -2.925 1.00 72.03 ATOM 921 HG1 THR 58 -11.715 16.950 -2.533 1.00 1.01 ATOM 922 CG2 THR 58 -9.218 16.911 -2.201 1.00 43.30 ATOM 923 HG21 THR 58 -9.688 15.988 -1.893 1.00 13.33 ATOM 924 HG22 THR 58 -9.197 17.597 -1.366 1.00 75.32 ATOM 925 HG23 THR 58 -8.208 16.708 -2.526 1.00 74.04 ATOM 926 C THR 58 -10.261 19.472 -4.909 1.00 74.11 ATOM 927 O THR 58 -10.997 20.421 -4.633 1.00 13.34 ATOM 928 N GLU 59 -10.214 18.931 -6.130 1.00 4.23 ATOM 929 HN GLU 59 -9.622 18.167 -6.286 1.00 37.38 ATOM 930 CA GLU 59 -11.010 19.460 -7.257 1.00 21.41 ATOM 931 HA GLU 59 -10.587 20.420 -7.524 1.00 21.55 ATOM 932 CB GLU 59 -10.916 18.528 -8.479 1.00 22.53 ATOM 933 HB1 GLU 59 -11.704 18.785 -9.174 1.00 37.38 ATOM 934 HB2 GLU 59 -11.063 17.508 -8.152 1.00 20.45 ATOM 935 CG GLU 59 -9.582 18.600 -9.225 1.00 23.25 ATOM 936 HG1 GLU 59 -9.439 19.614 -9.577 1.00 37.38 ATOM 937 HG2 GLU 59 -9.629 17.936 -10.077 1.00 24.02 ATOM 938 CD GLU 59 -8.388 18.207 -8.369 1.00 3.21 ATOM 939 OE1 GLU 59 -7.724 19.102 -7.814 1.00 62.41 ATOM 940 OE2 GLU 59 -8.113 16.994 -8.243 1.00 4.45 ATOM 941 C GLU 59 -12.487 19.678 -6.875 1.00 74.53 ATOM 942 O GLU 59 -13.132 20.609 -7.362 1.00 4.31 ATOM 943 N SER 60 -13.015 18.817 -6.008 1.00 35.14 ATOM 944 HN SER 60 -12.473 18.059 -5.700 1.00 37.38 ATOM 945 CA SER 60 -14.387 18.970 -5.505 1.00 60.21 ATOM 946 HA SER 60 -15.038 19.099 -6.359 1.00 41.43 ATOM 947 CB SER 60 -14.826 17.719 -4.731 1.00 24.54 ATOM 948 HB1 SER 60 -14.158 17.560 -3.898 1.00 37.38 ATOM 949 HB2 SER 60 -14.792 16.860 -5.386 1.00 13.41 ATOM 950 OG SER 60 -16.151 17.862 -4.236 1.00 42.12 ATOM 951 HG SER 60 -16.647 17.052 -4.411 1.00 73.40 ATOM 952 C SER 60 -14.511 20.203 -4.597 1.00 30.42 ATOM 953 O SER 60 -15.485 20.955 -4.678 1.00 1.13 ATOM 954 N GLN 61 -13.509 20.418 -3.743 1.00 15.43 ATOM 955 HN GLN 61 -12.742 19.806 -3.744 1.00 37.38 ATOM 956 CA GLN 61 -13.519 21.547 -2.807 1.00 1.15 ATOM 957 HA GLN 61 -14.462 21.515 -2.277 1.00 24.22 ATOM 958 CB GLN 61 -12.381 21.411 -1.782 1.00 74.01 ATOM 959 HB1 GLN 61 -12.356 22.300 -1.166 1.00 37.38 ATOM 960 HB2 GLN 61 -11.443 21.327 -2.313 1.00 63.53 ATOM 961 CG GLN 61 -12.523 20.195 -0.865 1.00 53.22 ATOM 962 HG1 GLN 61 -12.567 19.305 -1.476 1.00 37.38 ATOM 963 HG2 GLN 61 -13.443 20.288 -0.305 1.00 2.43 ATOM 964 CD GLN 61 -11.369 20.054 0.117 1.00 42.11 ATOM 965 OE1 GLN 61 -10.362 19.419 -0.175 1.00 31.32 ATOM 966 NE2 GLN 61 -11.512 20.622 1.296 1.00 71.32 ATOM 967 HE21 GLN 61 -12.342 21.098 1.483 1.00 51.21 ATOM 968 HE22 GLN 61 -10.772 20.545 1.938 1.00 32.23 ATOM 969 C GLN 61 -13.427 22.900 -3.539 1.00 61.42 ATOM 970 O GLN 61 -14.146 23.838 -3.194 1.00 30.11 ATOM 971 N LEU 62 -12.556 23.000 -4.554 1.00 43.31 ATOM 972 HN LEU 62 -11.985 22.233 -4.775 1.00 37.38 ATOM 973 CA LEU 62 -12.442 24.243 -5.342 1.00 52.20 ATOM 974 HA LEU 62 -12.161 25.031 -4.656 1.00 23.31 ATOM 975 CB LEU 62 -11.366 24.141 -6.441 1.00 13.31 ATOM 976 HB1 LEU 62 -11.510 24.966 -7.127 1.00 37.38 ATOM 977 HB2 LEU 62 -11.526 23.220 -6.984 1.00 72.24 ATOM 978 CG LEU 62 -9.900 24.169 -5.962 1.00 50.31 ATOM 979 HG LEU 62 -9.807 24.896 -5.164 1.00 3.22 ATOM 980 CD1 LEU 62 -9.481 22.819 -5.400 1.00 35.30 ATOM 981 HD11 LEU 62 -9.592 22.060 -6.163 1.00 0.12 ATOM 982 HD12 LEU 62 -10.107 22.570 -4.555 1.00 24.32 ATOM 983 HD13 LEU 62 -8.450 22.862 -5.083 1.00 2.53 ATOM 984 CD2 LEU 62 -8.967 24.596 -7.095 1.00 13.32 ATOM 985 HD21 LEU 62 -9.232 25.590 -7.430 1.00 24.11 ATOM 986 HD22 LEU 62 -9.058 23.904 -7.920 1.00 20.11 ATOM 987 HD23 LEU 62 -7.946 24.599 -6.741 1.00 51.21 ATOM 988 C LEU 62 -13.788 24.622 -5.981 1.00 15.30 ATOM 989 O LEU 62 -14.148 25.800 -6.047 1.00 32.35 ATOM 990 N ALA 63 -14.526 23.615 -6.451 1.00 32.44 ATOM 991 HN ALA 63 -14.164 22.705 -6.418 1.00 37.38 ATOM 992 CA ALA 63 -15.861 23.831 -7.016 1.00 12.34 ATOM 993 HA ALA 63 -15.763 24.512 -7.853 1.00 21.01 ATOM 994 CB ALA 63 -16.431 22.514 -7.536 1.00 1.34 ATOM 995 HB1 ALA 63 -17.387 22.694 -8.009 1.00 41.44 ATOM 996 HB2 ALA 63 -16.562 21.826 -6.713 1.00 24.40 ATOM 997 HB3 ALA 63 -15.749 22.084 -8.256 1.00 10.32 ATOM 998 C ALA 63 -16.805 24.453 -5.974 1.00 0.13 ATOM 999 O ALA 63 -17.497 25.437 -6.250 1.00 3.11 ATOM 1000 N LEU 64 -16.806 23.881 -4.770 1.00 11.14 ATOM 1001 HN LEU 64 -16.243 23.089 -4.617 1.00 37.38 ATOM 1002 CA LEU 64 -17.633 24.387 -3.671 1.00 60.52 ATOM 1003 HA LEU 64 -18.666 24.342 -3.988 1.00 52.22 ATOM 1004 CB LEU 64 -17.459 23.506 -2.430 1.00 4.32 ATOM 1005 HB1 LEU 64 -16.418 23.532 -2.139 1.00 37.38 ATOM 1006 HB2 LEU 64 -17.716 22.490 -2.697 1.00 31.44 ATOM 1007 CG LEU 64 -18.312 23.924 -1.220 1.00 71.00 ATOM 1008 HG LEU 64 -18.144 24.974 -1.021 1.00 74.20 ATOM 1009 CD1 LEU 64 -19.797 23.740 -1.523 1.00 53.13 ATOM 1010 HD11 LEU 64 -20.005 22.694 -1.702 1.00 43.32 ATOM 1011 HD12 LEU 64 -20.058 24.313 -2.401 1.00 53.10 ATOM 1012 HD13 LEU 64 -20.381 24.086 -0.685 1.00 41.21 ATOM 1013 CD2 LEU 64 -17.907 23.142 0.024 1.00 13.05 ATOM 1014 HD21 LEU 64 -18.089 22.091 -0.137 1.00 0.35 ATOM 1015 HD22 LEU 64 -18.486 23.483 0.871 1.00 34.14 ATOM 1016 HD23 LEU 64 -16.858 23.299 0.222 1.00 74.40 ATOM 1017 C LEU 64 -17.285 25.843 -3.313 1.00 23.11 ATOM 1018 O LEU 64 -18.173 26.670 -3.093 1.00 63.33 ATOM 1019 N VAL 65 -15.989 26.149 -3.248 1.00 63.13 ATOM 1020 HN VAL 65 -15.324 25.444 -3.406 1.00 37.38 ATOM 1021 CA VAL 65 -15.529 27.507 -2.933 1.00 32.02 ATOM 1022 HA VAL 65 -15.857 27.738 -1.927 1.00 2.14 ATOM 1023 CB VAL 65 -13.979 27.605 -2.974 1.00 24.34 ATOM 1024 HB VAL 65 -13.650 27.354 -3.972 1.00 32.41 ATOM 1025 CG1 VAL 65 -13.510 29.026 -2.665 1.00 32.14 ATOM 1026 HG11 VAL 65 -13.829 29.306 -1.671 1.00 42.03 ATOM 1027 HG12 VAL 65 -13.939 29.709 -3.384 1.00 35.51 ATOM 1028 HG13 VAL 65 -12.432 29.073 -2.726 1.00 3.12 ATOM 1029 CG2 VAL 65 -13.348 26.605 -2.002 1.00 10.44 ATOM 1030 HG21 VAL 65 -12.272 26.649 -2.087 1.00 70.24 ATOM 1031 HG22 VAL 65 -13.686 25.607 -2.241 1.00 35.00 ATOM 1032 HG23 VAL 65 -13.639 26.849 -0.990 1.00 53.41 ATOM 1033 C VAL 65 -16.139 28.538 -3.897 1.00 14.21 ATOM 1034 O VAL 65 -16.564 29.616 -3.484 1.00 40.44 ATOM 1035 N ARG 66 -16.201 28.189 -5.183 1.00 50.43 ATOM 1036 HN ARG 66 -15.826 27.324 -5.460 1.00 37.38 ATOM 1037 CA ARG 66 -16.820 29.065 -6.187 1.00 11.21 ATOM 1038 HA ARG 66 -16.405 30.055 -6.059 1.00 42.23 ATOM 1039 CB ARG 66 -16.504 28.575 -7.605 1.00 42.23 ATOM 1040 HB1 ARG 66 -16.890 29.294 -8.314 1.00 37.38 ATOM 1041 HB2 ARG 66 -17.001 27.627 -7.763 1.00 31.00 ATOM 1042 CG ARG 66 -15.015 28.386 -7.878 1.00 40.23 ATOM 1043 HG1 ARG 66 -14.636 27.607 -7.232 1.00 37.38 ATOM 1044 HG2 ARG 66 -14.500 29.313 -7.663 1.00 12.43 ATOM 1045 CD ARG 66 -14.749 28.000 -9.331 1.00 12.04 ATOM 1046 HD1 ARG 66 -13.721 27.679 -9.423 1.00 37.38 ATOM 1047 HD2 ARG 66 -14.911 28.867 -9.956 1.00 13.24 ATOM 1048 NE ARG 66 -15.633 26.923 -9.780 1.00 51.12 ATOM 1049 HE ARG 66 -16.589 27.118 -9.824 1.00 51.12 ATOM 1050 CZ ARG 66 -15.235 25.731 -10.141 1.00 51.44 ATOM 1051 NH1 ARG 66 -13.981 25.404 -10.090 1.00 5.53 ATOM 1052 HH11 ARG 66 -13.307 26.064 -9.776 1.00 54.42 ATOM 1053 HH12 ARG 66 -13.691 24.490 -10.371 1.00 53.10 ATOM 1054 NH2 ARG 66 -16.102 24.864 -10.549 1.00 70.24 ATOM 1055 HH21 ARG 66 -17.071 25.110 -10.590 1.00 74.53 ATOM 1056 HH22 ARG 66 -15.806 23.950 -10.815 1.00 51.32 ATOM 1057 C ARG 66 -18.346 29.139 -5.995 1.00 20.33 ATOM 1058 O ARG 66 -18.954 30.197 -6.168 1.00 1.41 ATOM 1059 N ASP 67 -18.950 28.002 -5.644 1.00 32.44 ATOM 1060 HN ASP 67 -18.410 27.186 -5.562 1.00 37.38 ATOM 1061 CA ASP 67 -20.393 27.923 -5.370 1.00 45.55 ATOM 1062 HA ASP 67 -20.917 28.192 -6.279 1.00 24.54 ATOM 1063 CB ASP 67 -20.761 26.477 -4.993 1.00 43.44 ATOM 1064 HB1 ASP 67 -20.144 26.165 -4.162 1.00 37.38 ATOM 1065 HB2 ASP 67 -20.560 25.831 -5.837 1.00 30.03 ATOM 1066 CG ASP 67 -22.220 26.305 -4.602 1.00 72.54 ATOM 1067 OD1 ASP 67 -23.106 26.562 -5.448 1.00 14.33 ATOM 1068 OD2 ASP 67 -22.487 25.900 -3.449 1.00 23.20 ATOM 1069 C ASP 67 -20.803 28.907 -4.255 1.00 11.23 ATOM 1070 O ASP 67 -21.739 29.699 -4.418 1.00 61.12 ATOM 1071 N ILE 68 -20.085 28.864 -3.132 1.00 43.54 ATOM 1072 HN ILE 68 -19.391 28.176 -3.040 1.00 37.38 ATOM 1073 CA ILE 68 -20.306 29.808 -2.024 1.00 41.25 ATOM 1074 HA ILE 68 -21.348 29.750 -1.734 1.00 73.30 ATOM 1075 CB ILE 68 -19.432 29.439 -0.796 1.00 53.34 ATOM 1076 HB ILE 68 -18.392 29.513 -1.092 1.00 54.10 ATOM 1077 CG1 ILE 68 -19.721 27.997 -0.344 1.00 0.31 ATOM 1078 HG11 ILE 68 -19.555 27.326 -1.176 1.00 37.38 ATOM 1079 HG12 ILE 68 -20.754 27.921 -0.032 1.00 65.14 ATOM 1080 CG2 ILE 68 -19.667 30.423 0.351 1.00 54.14 ATOM 1081 HG21 ILE 68 -20.705 30.387 0.653 1.00 31.41 ATOM 1082 HG22 ILE 68 -19.425 31.424 0.023 1.00 1.22 ATOM 1083 HG23 ILE 68 -19.038 30.161 1.189 1.00 42.20 ATOM 1084 CD1 ILE 68 -18.854 27.531 0.808 1.00 0.22 ATOM 1085 HD11 ILE 68 -19.039 28.151 1.673 1.00 42.31 ATOM 1086 HD12 ILE 68 -17.812 27.605 0.528 1.00 51.32 ATOM 1087 HD13 ILE 68 -19.090 26.504 1.044 1.00 62.41 ATOM 1088 C ILE 68 -19.985 31.252 -2.457 1.00 13.10 ATOM 1089 O ILE 68 -20.755 32.186 -2.202 1.00 25.34 ATOM 1090 N ARG 69 -18.840 31.416 -3.123 1.00 51.44 ATOM 1091 HN ARG 69 -18.263 30.634 -3.261 1.00 37.38 ATOM 1092 CA ARG 69 -18.407 32.717 -3.651 1.00 55.02 ATOM 1093 HA ARG 69 -18.218 33.369 -2.809 1.00 4.34 ATOM 1094 CB ARG 69 -17.096 32.535 -4.443 1.00 14.42 ATOM 1095 HB1 ARG 69 -17.262 31.789 -5.208 1.00 37.38 ATOM 1096 HB2 ARG 69 -16.338 32.165 -3.767 1.00 74.33 ATOM 1097 CG ARG 69 -16.543 33.797 -5.123 1.00 63.24 ATOM 1098 HG1 ARG 69 -15.463 33.740 -5.139 1.00 37.38 ATOM 1099 HG2 ARG 69 -16.844 34.664 -4.553 1.00 60.22 ATOM 1100 CD ARG 69 -17.048 33.951 -6.560 1.00 13.14 ATOM 1101 HD1 ARG 69 -18.110 34.155 -6.536 1.00 37.38 ATOM 1102 HD2 ARG 69 -16.876 33.024 -7.090 1.00 74.42 ATOM 1103 NE ARG 69 -16.373 35.035 -7.274 1.00 34.04 ATOM 1104 HE ARG 69 -15.778 35.618 -6.759 1.00 51.31 ATOM 1105 CZ ARG 69 -16.501 35.265 -8.557 1.00 54.11 ATOM 1106 NH1 ARG 69 -17.267 34.523 -9.296 1.00 23.34 ATOM 1107 HH11 ARG 69 -17.769 33.769 -8.893 1.00 34.31 ATOM 1108 HH12 ARG 69 -17.339 34.706 -10.279 1.00 65.14 ATOM 1109 NH2 ARG 69 -15.851 36.240 -9.102 1.00 61.22 ATOM 1110 HH21 ARG 69 -15.255 36.811 -8.544 1.00 12.34 ATOM 1111 HH22 ARG 69 -15.942 36.416 -10.082 1.00 31.43 ATOM 1112 C ARG 69 -19.491 33.356 -4.534 1.00 75.15 ATOM 1113 O ARG 69 -19.678 34.575 -4.520 1.00 40.11 ATOM 1114 N ARG 70 -20.208 32.532 -5.298 1.00 54.24 ATOM 1115 HN ARG 70 -20.046 31.564 -5.247 1.00 37.38 ATOM 1116 CA ARG 70 -21.232 33.043 -6.206 1.00 62.23 ATOM 1117 HA ARG 70 -20.795 33.874 -6.747 1.00 61.41 ATOM 1118 CB ARG 70 -21.649 31.974 -7.224 1.00 51.34 ATOM 1119 HB1 ARG 70 -22.197 31.197 -6.715 1.00 37.38 ATOM 1120 HB2 ARG 70 -20.760 31.546 -7.668 1.00 5.12 ATOM 1121 CG ARG 70 -22.528 32.530 -8.339 1.00 1.24 ATOM 1122 HG1 ARG 70 -22.010 33.353 -8.810 1.00 37.38 ATOM 1123 HG2 ARG 70 -23.451 32.888 -7.908 1.00 4.21 ATOM 1124 CD ARG 70 -22.856 31.483 -9.397 1.00 34.34 ATOM 1125 HD1 ARG 70 -23.489 30.728 -8.956 1.00 37.38 ATOM 1126 HD2 ARG 70 -21.935 31.028 -9.734 1.00 54.11 ATOM 1127 NE ARG 70 -23.545 32.070 -10.547 1.00 21.21 ATOM 1128 HE ARG 70 -23.515 33.042 -10.641 1.00 40.20 ATOM 1129 CZ ARG 70 -24.162 31.379 -11.469 1.00 1.31 ATOM 1130 NH1 ARG 70 -24.286 30.096 -11.359 1.00 24.33 ATOM 1131 HH11 ARG 70 -23.913 29.625 -10.563 1.00 13.45 ATOM 1132 HH12 ARG 70 -24.747 29.577 -12.076 1.00 31.33 ATOM 1133 NH2 ARG 70 -24.680 31.982 -12.487 1.00 32.31 ATOM 1134 HH21 ARG 70 -24.610 32.974 -12.570 1.00 35.31 ATOM 1135 HH22 ARG 70 -25.150 31.453 -13.192 1.00 23.13 ATOM 1136 C ARG 70 -22.462 33.563 -5.443 1.00 74.55 ATOM 1137 O ARG 70 -22.909 34.676 -5.689 1.00 55.30 ATOM 1138 N ARG 71 -22.997 32.771 -4.506 1.00 24.43 ATOM 1139 HN ARG 71 -22.580 31.904 -4.315 1.00 37.38 ATOM 1140 CA ARG 71 -24.197 33.181 -3.749 1.00 3.41 ATOM 1141 HA ARG 71 -24.995 33.337 -4.462 1.00 12.12 ATOM 1142 CB ARG 71 -24.637 32.094 -2.759 1.00 64.35 ATOM 1143 HB1 ARG 71 -25.448 32.481 -2.157 1.00 37.38 ATOM 1144 HB2 ARG 71 -23.804 31.861 -2.111 1.00 51.22 ATOM 1145 CG ARG 71 -25.106 30.802 -3.413 1.00 43.20 ATOM 1146 HG1 ARG 71 -24.260 30.320 -3.882 1.00 37.38 ATOM 1147 HG2 ARG 71 -25.850 31.035 -4.162 1.00 14.23 ATOM 1148 CD ARG 71 -25.715 29.849 -2.388 1.00 51.31 ATOM 1149 HD1 ARG 71 -26.667 30.246 -2.068 1.00 37.38 ATOM 1150 HD2 ARG 71 -25.051 29.779 -1.538 1.00 13.44 ATOM 1151 NE ARG 71 -25.920 28.516 -2.940 1.00 73.34 ATOM 1152 HE ARG 71 -26.761 28.339 -3.409 1.00 43.45 ATOM 1153 CZ ARG 71 -25.027 27.571 -2.879 1.00 62.13 ATOM 1154 NH1 ARG 71 -23.940 27.738 -2.192 1.00 34.04 ATOM 1155 HH11 ARG 71 -23.786 28.590 -1.695 1.00 41.05 ATOM 1156 HH12 ARG 71 -23.247 27.016 -2.183 1.00 11.40 ATOM 1157 NH2 ARG 71 -25.230 26.442 -3.467 1.00 43.15 ATOM 1158 HH21 ARG 71 -26.079 26.282 -3.967 1.00 15.54 ATOM 1159 HH22 ARG 71 -24.517 25.739 -3.444 1.00 41.41 ATOM 1160 C ARG 71 -23.968 34.493 -2.985 1.00 24.24 ATOM 1161 O ARG 71 -24.724 35.457 -3.140 1.00 64.21 ATOM 1162 N GLY 72 -22.920 34.523 -2.161 1.00 75.34 ATOM 1163 HN GLY 72 -22.343 33.732 -2.089 1.00 37.38 ATOM 1164 CA GLY 72 -22.620 35.712 -1.367 1.00 34.45 ATOM 1165 HA1 GLY 72 -21.707 35.540 -0.816 1.00 37.38 ATOM 1166 HA2 GLY 72 -23.422 35.873 -0.664 1.00 71.44 ATOM 1167 C GLY 72 -22.454 36.971 -2.214 1.00 25.32 ATOM 1168 O GLY 72 -22.828 38.068 -1.795 1.00 22.31 ATOM 1169 N LYS 73 -21.894 36.812 -3.409 1.00 74.02 ATOM 1170 HN LYS 73 -21.619 35.914 -3.686 1.00 37.38 ATOM 1171 CA LYS 73 -21.656 37.942 -4.317 1.00 71.42 ATOM 1172 HA LYS 73 -21.513 38.829 -3.713 1.00 43.13 ATOM 1173 CB LYS 73 -20.375 37.686 -5.124 1.00 2.53 ATOM 1174 HB1 LYS 73 -20.562 36.878 -5.816 1.00 37.38 ATOM 1175 HB2 LYS 73 -19.590 37.385 -4.443 1.00 54.11 ATOM 1176 CG LYS 73 -19.879 38.893 -5.920 1.00 55.24 ATOM 1177 HG1 LYS 73 -19.795 39.742 -5.255 1.00 37.38 ATOM 1178 HG2 LYS 73 -20.593 39.116 -6.700 1.00 54.11 ATOM 1179 CD LYS 73 -18.518 38.627 -6.560 1.00 62.10 ATOM 1180 HD1 LYS 73 -18.205 39.513 -7.096 1.00 37.38 ATOM 1181 HD2 LYS 73 -18.612 37.804 -7.253 1.00 20.53 ATOM 1182 CE LYS 73 -17.456 38.276 -5.521 1.00 64.04 ATOM 1183 HE1 LYS 73 -16.525 38.081 -6.031 1.00 37.38 ATOM 1184 HE2 LYS 73 -17.766 37.387 -4.994 1.00 44.45 ATOM 1185 NZ LYS 73 -17.246 39.371 -4.537 1.00 24.14 ATOM 1186 HZ1 LYS 73 -18.142 39.607 -4.065 1.00 71.43 ATOM 1187 HZ2 LYS 73 -16.885 40.224 -5.013 1.00 63.04 ATOM 1188 HZ3 LYS 73 -16.558 39.076 -3.813 1.00 22.11 ATOM 1189 C LYS 73 -22.853 38.178 -5.262 1.00 72.10 ATOM 1190 O LYS 73 -23.031 39.276 -5.788 1.00 73.05 ATOM 1191 N ASN 74 -23.681 37.147 -5.458 1.00 4.35 ATOM 1192 HN ASN 74 -23.494 36.299 -5.004 1.00 37.38 ATOM 1193 CA ASN 74 -24.866 37.240 -6.330 1.00 62.51 ATOM 1194 HA ASN 74 -24.525 37.502 -7.322 1.00 34.54 ATOM 1195 CB ASN 74 -25.582 35.881 -6.389 1.00 3.34 ATOM 1196 HB1 ASN 74 -25.943 35.629 -5.403 1.00 37.38 ATOM 1197 HB2 ASN 74 -24.877 35.125 -6.707 1.00 12.41 ATOM 1198 CG ASN 74 -26.759 35.866 -7.349 1.00 73.15 ATOM 1199 OD1 ASN 74 -27.892 36.158 -6.975 1.00 12.13 ATOM 1200 ND2 ASN 74 -26.502 35.526 -8.596 1.00 62.32 ATOM 1201 HD21 ASN 74 -25.577 35.309 -8.837 1.00 62.42 ATOM 1202 HD22 ASN 74 -27.251 35.489 -9.227 1.00 40.11 ATOM 1203 C ASN 74 -25.828 38.327 -5.832 1.00 43.50 ATOM 1204 O ASN 74 -26.448 39.038 -6.623 1.00 43.13 ATOM 1205 N LYS 75 -25.933 38.446 -4.510 1.00 34.52 ATOM 1206 HN LYS 75 -25.446 37.812 -3.942 1.00 37.38 ATOM 1207 CA LYS 75 -26.756 39.481 -3.876 1.00 71.54 ATOM 1208 HA LYS 75 -27.778 39.341 -4.196 1.00 54.34 ATOM 1209 CB LYS 75 -26.678 39.332 -2.350 1.00 71.44 ATOM 1210 HB1 LYS 75 -25.678 39.584 -2.023 1.00 37.38 ATOM 1211 HB2 LYS 75 -26.875 38.300 -2.092 1.00 31.00 ATOM 1212 CG LYS 75 -27.663 40.208 -1.583 1.00 52.03 ATOM 1213 HG1 LYS 75 -27.506 41.240 -1.865 1.00 37.38 ATOM 1214 HG2 LYS 75 -27.483 40.094 -0.523 1.00 32.43 ATOM 1215 CD LYS 75 -29.111 39.825 -1.886 1.00 50.41 ATOM 1216 HD1 LYS 75 -29.227 38.758 -1.747 1.00 37.38 ATOM 1217 HD2 LYS 75 -29.336 40.080 -2.913 1.00 64.54 ATOM 1218 CE LYS 75 -30.089 40.550 -0.971 1.00 12.13 ATOM 1219 HE1 LYS 75 -31.093 40.245 -1.222 1.00 37.38 ATOM 1220 HE2 LYS 75 -29.989 41.615 -1.123 1.00 23.13 ATOM 1221 NZ LYS 75 -29.836 40.241 0.461 1.00 13.20 ATOM 1222 HZ1 LYS 75 -30.547 40.707 1.060 1.00 31.23 ATOM 1223 HZ2 LYS 75 -28.894 40.582 0.740 1.00 11.42 ATOM 1224 HZ3 LYS 75 -29.881 39.215 0.622 1.00 51.42 ATOM 1225 C LYS 75 -26.286 40.885 -4.297 1.00 14.20 ATOM 1226 O LYS 75 -27.086 41.740 -4.687 1.00 4.41 ATOM 1227 N VAL 76 -24.974 41.101 -4.231 1.00 32.51 ATOM 1228 HN VAL 76 -24.394 40.380 -3.906 1.00 37.38 ATOM 1229 CA VAL 76 -24.370 42.375 -4.633 1.00 70.14 ATOM 1230 HA VAL 76 -24.881 43.166 -4.100 1.00 11.14 ATOM 1231 CB VAL 76 -22.866 42.430 -4.256 1.00 53.03 ATOM 1232 HB VAL 76 -22.349 41.658 -4.812 1.00 65.13 ATOM 1233 CG1 VAL 76 -22.251 43.779 -4.635 1.00 41.21 ATOM 1234 HG11 VAL 76 -21.203 43.788 -4.367 1.00 42.41 ATOM 1235 HG12 VAL 76 -22.762 44.570 -4.108 1.00 64.42 ATOM 1236 HG13 VAL 76 -22.349 43.936 -5.700 1.00 52.45 ATOM 1237 CG2 VAL 76 -22.680 42.146 -2.766 1.00 24.22 ATOM 1238 HG21 VAL 76 -23.229 42.877 -2.188 1.00 12.20 ATOM 1239 HG22 VAL 76 -21.631 42.203 -2.512 1.00 74.24 ATOM 1240 HG23 VAL 76 -23.051 41.157 -2.536 1.00 71.12 ATOM 1241 C VAL 76 -24.526 42.613 -6.145 1.00 5.32 ATOM 1242 O VAL 76 -24.843 43.718 -6.585 1.00 70.52 ATOM 1243 N ALA 77 -24.304 41.564 -6.936 1.00 71.05 ATOM 1244 HN ALA 77 -24.027 40.716 -6.531 1.00 37.38 ATOM 1245 CA ALA 77 -24.449 41.642 -8.395 1.00 72.54 ATOM 1246 HA ALA 77 -23.801 42.431 -8.751 1.00 2.10 ATOM 1247 CB ALA 77 -23.994 40.334 -9.035 1.00 23.25 ATOM 1248 HB1 ALA 77 -24.633 39.528 -8.705 1.00 71.43 ATOM 1249 HB2 ALA 77 -22.974 40.126 -8.745 1.00 64.52 ATOM 1250 HB3 ALA 77 -24.051 40.420 -10.111 1.00 63.34 ATOM 1251 C ALA 77 -25.896 41.962 -8.810 1.00 52.40 ATOM 1252 O ALA 77 -26.130 42.761 -9.715 1.00 3.42 ATOM 1253 N ALA 78 -26.857 41.336 -8.132 1.00 62.04 ATOM 1254 HN ALA 78 -26.601 40.731 -7.404 1.00 37.38 ATOM 1255 CA ALA 78 -28.283 41.512 -8.437 1.00 3.00 ATOM 1256 HA ALA 78 -28.444 41.185 -9.457 1.00 74.04 ATOM 1257 CB ALA 78 -29.127 40.625 -7.525 1.00 12.12 ATOM 1258 HB1 ALA 78 -30.169 40.706 -7.805 1.00 10.31 ATOM 1259 HB2 ALA 78 -29.005 40.942 -6.499 1.00 43.10 ATOM 1260 HB3 ALA 78 -28.808 39.598 -7.625 1.00 45.24 ATOM 1261 C ALA 78 -28.732 42.978 -8.310 1.00 33.34 ATOM 1262 O ALA 78 -29.280 43.552 -9.252 1.00 2.55 ATOM 1263 N GLN 79 -28.489 43.581 -7.143 1.00 73.34 ATOM 1264 HN GLN 79 -28.024 43.080 -6.437 1.00 37.38 ATOM 1265 CA GLN 79 -28.905 44.970 -6.877 1.00 44.04 ATOM 1266 HA GLN 79 -29.981 45.011 -6.991 1.00 33.22 ATOM 1267 CB GLN 79 -28.553 45.363 -5.431 1.00 3.41 ATOM 1268 HB1 GLN 79 -29.138 44.754 -4.755 1.00 37.38 ATOM 1269 HB2 GLN 79 -28.813 46.401 -5.277 1.00 60.15 ATOM 1270 CG GLN 79 -27.081 45.181 -5.083 1.00 23.31 ATOM 1271 HG1 GLN 79 -26.491 45.804 -5.739 1.00 37.38 ATOM 1272 HG2 GLN 79 -26.814 44.146 -5.243 1.00 4.34 ATOM 1273 CD GLN 79 -26.754 45.546 -3.644 1.00 42.12 ATOM 1274 OE1 GLN 79 -26.404 46.684 -3.340 1.00 3.05 ATOM 1275 NE2 GLN 79 -26.872 44.588 -2.747 1.00 14.31 ATOM 1276 HE21 GLN 79 -27.166 43.702 -3.049 1.00 2.01 ATOM 1277 HE22 GLN 79 -26.664 44.803 -1.816 1.00 14.24 ATOM 1278 C GLN 79 -28.278 45.974 -7.871 1.00 12.34 ATOM 1279 O GLN 79 -28.845 47.041 -8.126 1.00 72.12 ATOM 1280 N ASN 80 -27.116 45.622 -8.430 1.00 42.53 ATOM 1281 HN ASN 80 -26.713 44.763 -8.184 1.00 37.38 ATOM 1282 CA ASN 80 -26.422 46.488 -9.402 1.00 14.24 ATOM 1283 HA ASN 80 -26.864 47.473 -9.337 1.00 14.23 ATOM 1284 CB ASN 80 -24.928 46.600 -9.053 1.00 65.44 ATOM 1285 HB1 ASN 80 -24.426 47.165 -9.826 1.00 37.38 ATOM 1286 HB2 ASN 80 -24.498 45.610 -9.005 1.00 64.11 ATOM 1287 CG ASN 80 -24.692 47.295 -7.720 1.00 61.11 ATOM 1288 OD1 ASN 80 -24.582 48.514 -7.651 1.00 12.35 ATOM 1289 ND2 ASN 80 -24.597 46.528 -6.652 1.00 50.10 ATOM 1290 HD21 ASN 80 -24.680 45.561 -6.767 1.00 44.11 ATOM 1291 HD22 ASN 80 -24.446 46.961 -5.789 1.00 72.44 ATOM 1292 C ASN 80 -26.582 45.984 -10.850 1.00 42.04 ATOM 1293 O ASN 80 -26.048 46.586 -11.784 1.00 50.14 ATOM 1294 N TYR 81 -27.317 44.891 -11.033 1.00 74.15 ATOM 1295 HN TYR 81 -27.718 44.451 -10.256 1.00 37.38 ATOM 1296 CA TYR 81 -27.540 44.319 -12.369 1.00 21.43 ATOM 1297 HA TYR 81 -26.580 44.264 -12.865 1.00 63.33 ATOM 1298 CB TYR 81 -28.119 42.900 -12.250 1.00 60.14 ATOM 1299 HB1 TYR 81 -29.070 42.951 -11.734 1.00 37.38 ATOM 1300 HB2 TYR 81 -27.439 42.292 -11.669 1.00 23.03 ATOM 1301 CG TYR 81 -28.344 42.207 -13.586 1.00 53.12 ATOM 1302 CD1 TYR 81 -27.278 41.666 -14.299 1.00 20.51 ATOM 1303 HD1 TYR 81 -26.279 41.743 -13.891 1.00 4.25 ATOM 1304 CD2 TYR 81 -29.618 42.094 -14.135 1.00 73.51 ATOM 1305 HD2 TYR 81 -30.459 42.508 -13.598 1.00 61.41 ATOM 1306 CE1 TYR 81 -27.475 41.036 -15.515 1.00 74.24 ATOM 1307 HE1 TYR 81 -26.633 40.625 -16.051 1.00 51.54 ATOM 1308 CE2 TYR 81 -29.820 41.465 -15.350 1.00 22.41 ATOM 1309 HE2 TYR 81 -30.816 41.389 -15.757 1.00 2.13 ATOM 1310 CZ TYR 81 -28.746 40.939 -16.036 1.00 51.12 ATOM 1311 OH TYR 81 -28.945 40.313 -17.248 1.00 25.32 ATOM 1312 HH TYR 81 -28.476 39.470 -17.249 1.00 74.23 ATOM 1313 C TYR 81 -28.480 45.203 -13.210 1.00 10.31 ATOM 1314 O TYR 81 -29.526 45.641 -12.732 1.00 3.52 ATOM 1315 N ARG 82 -28.104 45.452 -14.466 1.00 54.22 ATOM 1316 HN ARG 82 -27.268 45.064 -14.797 1.00 37.38 ATOM 1317 CA ARG 82 -28.904 46.294 -15.368 1.00 24.34 ATOM 1318 HA ARG 82 -29.941 46.005 -15.250 1.00 41.40 ATOM 1319 CB ARG 82 -28.748 47.782 -14.981 1.00 4.52 ATOM 1320 HB1 ARG 82 -28.457 48.348 -15.858 1.00 37.38 ATOM 1321 HB2 ARG 82 -27.967 47.869 -14.240 1.00 11.42 ATOM 1322 CG ARG 82 -30.017 48.413 -14.409 1.00 61.15 ATOM 1323 HG1 ARG 82 -29.778 49.395 -14.021 1.00 37.38 ATOM 1324 HG2 ARG 82 -30.390 47.790 -13.608 1.00 33.42 ATOM 1325 CD ARG 82 -31.099 48.549 -15.472 1.00 2.54 ATOM 1326 HD1 ARG 82 -31.989 48.954 -15.012 1.00 37.38 ATOM 1327 HD2 ARG 82 -31.317 47.570 -15.877 1.00 32.14 ATOM 1328 NE ARG 82 -30.683 49.431 -16.561 1.00 24.32 ATOM 1329 HE ARG 82 -29.943 50.047 -16.384 1.00 44.05 ATOM 1330 CZ ARG 82 -31.244 49.465 -17.740 1.00 25.13 ATOM 1331 NH1 ARG 82 -32.202 48.646 -18.043 1.00 33.21 ATOM 1332 HH11 ARG 82 -32.516 47.974 -17.376 1.00 52.52 ATOM 1333 HH12 ARG 82 -32.634 48.695 -18.941 1.00 75.14 ATOM 1334 NH2 ARG 82 -30.833 50.309 -18.625 1.00 1.20 ATOM 1335 HH21 ARG 82 -30.088 50.938 -18.407 1.00 20.12 ATOM 1336 HH22 ARG 82 -31.256 50.329 -19.529 1.00 1.15 ATOM 1337 C ARG 82 -28.503 46.076 -16.838 1.00 60.15 ATOM 1338 O ARG 82 -27.330 45.873 -17.150 1.00 30.40 ATOM 1339 N LYS 83 -29.486 46.110 -17.738 1.00 1.42 ATOM 1340 HN LYS 83 -30.411 46.251 -17.435 1.00 37.38 ATOM 1341 CA LYS 83 -29.225 45.938 -19.173 1.00 63.10 ATOM 1342 HA LYS 83 -28.487 45.152 -19.277 1.00 33.02 ATOM 1343 CB LYS 83 -30.505 45.509 -19.919 1.00 35.40 ATOM 1344 HB1 LYS 83 -30.454 45.874 -20.938 1.00 37.38 ATOM 1345 HB2 LYS 83 -31.355 45.966 -19.435 1.00 31.43 ATOM 1346 CG LYS 83 -30.745 43.999 -19.972 1.00 1.33 ATOM 1347 HG1 LYS 83 -29.900 43.532 -20.459 1.00 37.38 ATOM 1348 HG2 LYS 83 -31.637 43.811 -20.551 1.00 20.23 ATOM 1349 CD LYS 83 -30.922 43.377 -18.589 1.00 75.01 ATOM 1350 HD1 LYS 83 -31.698 43.912 -18.058 1.00 37.38 ATOM 1351 HD2 LYS 83 -29.991 43.456 -18.043 1.00 22.11 ATOM 1352 CE LYS 83 -31.313 41.905 -18.688 1.00 13.41 ATOM 1353 HE1 LYS 83 -32.254 41.830 -19.215 1.00 37.38 ATOM 1354 HE2 LYS 83 -31.429 41.507 -17.691 1.00 2.24 ATOM 1355 NZ LYS 83 -30.292 41.097 -19.410 1.00 45.10 ATOM 1356 HZ1 LYS 83 -29.402 41.074 -18.869 1.00 73.54 ATOM 1357 HZ2 LYS 83 -30.103 41.506 -20.348 1.00 21.21 ATOM 1358 HZ3 LYS 83 -30.629 40.123 -19.538 1.00 45.31 ATOM 1359 C LYS 83 -28.662 47.218 -19.813 1.00 70.42 ATOM 1360 O LYS 83 -29.411 48.117 -20.193 1.00 13.11 ATOM 1361 N ARG 84 -27.338 47.299 -19.925 1.00 61.31 ATOM 1362 HN ARG 84 -26.781 46.626 -19.479 1.00 37.38 ATOM 1363 CA ARG 84 -26.693 48.376 -20.688 1.00 41.14 ATOM 1364 HA ARG 84 -27.256 49.283 -20.518 1.00 32.52 ATOM 1365 CB ARG 84 -25.243 48.593 -20.217 1.00 23.31 ATOM 1366 HB1 ARG 84 -24.726 49.191 -20.956 1.00 37.38 ATOM 1367 HB2 ARG 84 -24.754 47.632 -20.144 1.00 54.43 ATOM 1368 CG ARG 84 -25.117 49.297 -18.865 1.00 71.21 ATOM 1369 HG1 ARG 84 -25.725 50.191 -18.883 1.00 37.38 ATOM 1370 HG2 ARG 84 -24.084 49.575 -18.715 1.00 63.23 ATOM 1371 CD ARG 84 -25.560 48.421 -17.693 1.00 4.31 ATOM 1372 HD1 ARG 84 -24.862 47.603 -17.583 1.00 37.38 ATOM 1373 HD2 ARG 84 -26.545 48.027 -17.902 1.00 45.32 ATOM 1374 NE ARG 84 -25.607 49.177 -16.444 1.00 32.12 ATOM 1375 HE ARG 84 -25.862 50.123 -16.502 1.00 41.25 ATOM 1376 CZ ARG 84 -25.330 48.692 -15.265 1.00 20.51 ATOM 1377 NH1 ARG 84 -25.016 47.441 -15.110 1.00 41.32 ATOM 1378 HH11 ARG 84 -24.979 46.833 -15.902 1.00 33.03 ATOM 1379 HH12 ARG 84 -24.811 47.089 -14.202 1.00 4.22 ATOM 1380 NH2 ARG 84 -25.378 49.469 -14.233 1.00 41.20 ATOM 1381 HH21 ARG 84 -25.627 50.430 -14.345 1.00 74.42 ATOM 1382 HH22 ARG 84 -25.160 49.113 -13.326 1.00 3.12 ATOM 1383 C ARG 84 -26.727 48.053 -22.192 1.00 63.30 ATOM 1384 O ARG 84 -25.690 47.958 -22.852 1.00 24.31 ATOM 1385 N LYS 85 -27.941 47.874 -22.714 1.00 44.24 ATOM 1386 HN LYS 85 -28.725 48.047 -22.148 1.00 37.38 ATOM 1387 CA LYS 85 -28.162 47.453 -24.102 1.00 3.41 ATOM 1388 HA LYS 85 -29.225 47.286 -24.207 1.00 21.45 ATOM 1389 CB LYS 85 -27.757 48.559 -25.088 1.00 70.12 ATOM 1390 HB1 LYS 85 -27.802 48.164 -26.094 1.00 37.38 ATOM 1391 HB2 LYS 85 -26.742 48.864 -24.875 1.00 63.33 ATOM 1392 CG LYS 85 -28.655 49.793 -25.017 1.00 64.14 ATOM 1393 HG1 LYS 85 -28.420 50.346 -24.116 1.00 37.38 ATOM 1394 HG2 LYS 85 -29.685 49.472 -24.983 1.00 11.02 ATOM 1395 CD LYS 85 -28.468 50.711 -26.226 1.00 65.14 ATOM 1396 HD1 LYS 85 -27.444 51.059 -26.248 1.00 37.38 ATOM 1397 HD2 LYS 85 -29.132 51.558 -26.130 1.00 22.10 ATOM 1398 CE LYS 85 -28.774 49.990 -27.538 1.00 34.22 ATOM 1399 HE1 LYS 85 -28.074 49.176 -27.662 1.00 37.38 ATOM 1400 HE2 LYS 85 -28.655 50.687 -28.355 1.00 21.01 ATOM 1401 NZ LYS 85 -30.158 49.441 -27.577 1.00 4.43 ATOM 1402 HZ1 LYS 85 -30.855 50.215 -27.555 1.00 25.42 ATOM 1403 HZ2 LYS 85 -30.325 48.819 -26.760 1.00 34.43 ATOM 1404 HZ3 LYS 85 -30.298 48.888 -28.450 1.00 23.03 ATOM 1405 C LYS 85 -27.449 46.130 -24.438 1.00 24.14 ATOM 1406 O LYS 85 -26.895 45.967 -25.527 1.00 35.32 ATOM 1407 N LEU 86 -27.474 45.184 -23.498 1.00 12.14 ATOM 1408 HN LEU 86 -27.822 45.405 -22.612 1.00 37.38 ATOM 1409 CA LEU 86 -26.988 43.823 -23.766 1.00 60.21 ATOM 1410 HA LEU 86 -26.061 43.912 -24.315 1.00 72.11 ATOM 1411 CB LEU 86 -26.725 43.040 -22.459 1.00 53.13 ATOM 1412 HB1 LEU 86 -26.630 41.993 -22.712 1.00 37.38 ATOM 1413 HB2 LEU 86 -27.589 43.154 -21.819 1.00 70.54 ATOM 1414 CG LEU 86 -25.473 43.448 -21.656 1.00 74.12 ATOM 1415 HG LEU 86 -24.613 43.423 -22.310 1.00 31.35 ATOM 1416 CD1 LEU 86 -25.600 44.865 -21.115 1.00 61.20 ATOM 1417 HD11 LEU 86 -25.664 45.559 -21.940 1.00 74.32 ATOM 1418 HD12 LEU 86 -24.736 45.101 -20.511 1.00 62.22 ATOM 1419 HD13 LEU 86 -26.494 44.943 -20.512 1.00 34.30 ATOM 1420 CD2 LEU 86 -25.221 42.461 -20.516 1.00 10.03 ATOM 1421 HD21 LEU 86 -24.341 42.762 -19.966 1.00 42.53 ATOM 1422 HD22 LEU 86 -25.067 41.472 -20.924 1.00 23.22 ATOM 1423 HD23 LEU 86 -26.073 42.447 -19.852 1.00 52.04 ATOM 1424 C LEU 86 -28.001 43.062 -24.638 1.00 13.35 ATOM 1425 O LEU 86 -28.730 42.193 -24.155 1.00 21.40 ATOM 1426 N GLU 87 -28.066 43.421 -25.917 1.00 22.14 ATOM 1427 HN GLU 87 -27.458 44.119 -26.244 1.00 37.38 ATOM 1428 CA GLU 87 -29.016 42.809 -26.854 1.00 54.55 ATOM 1429 HA GLU 87 -29.915 42.564 -26.301 1.00 70.21 ATOM 1430 CB GLU 87 -29.375 43.813 -27.963 1.00 33.42 ATOM 1431 HB1 GLU 87 -30.092 43.356 -28.631 1.00 37.38 ATOM 1432 HB2 GLU 87 -28.479 44.054 -28.522 1.00 61.10 ATOM 1433 CG GLU 87 -29.972 45.114 -27.432 1.00 70.22 ATOM 1434 HG1 GLU 87 -29.262 45.568 -26.754 1.00 37.38 ATOM 1435 HG2 GLU 87 -30.879 44.883 -26.890 1.00 35.13 ATOM 1436 CD GLU 87 -30.307 46.114 -28.531 1.00 43.14 ATOM 1437 OE1 GLU 87 -29.469 46.993 -28.820 1.00 63.31 ATOM 1438 OE2 GLU 87 -31.415 46.029 -29.103 1.00 44.21 ATOM 1439 C GLU 87 -28.448 41.519 -27.459 1.00 62.04 ATOM 1440 O GLU 87 -27.230 41.337 -27.539 1.00 53.41 ATOM 1441 N THR 88 -29.334 40.617 -27.873 1.00 3.23 ATOM 1442 HN THR 88 -30.292 40.813 -27.786 1.00 37.38 ATOM 1443 CA THR 88 -28.916 39.341 -28.457 1.00 1.03 ATOM 1444 HA THR 88 -28.116 38.949 -27.839 1.00 14.24 ATOM 1445 CB THR 88 -30.064 38.298 -28.458 1.00 63.51 ATOM 1446 HB THR 88 -29.754 37.444 -29.046 1.00 53.01 ATOM 1447 OG1 THR 88 -31.248 38.858 -29.051 1.00 60.42 ATOM 1448 HG1 THR 88 -31.290 38.600 -29.985 1.00 55.45 ATOM 1449 CG2 THR 88 -30.375 37.818 -27.040 1.00 74.32 ATOM 1450 HG21 THR 88 -30.686 38.657 -26.435 1.00 45.43 ATOM 1451 HG22 THR 88 -29.490 37.372 -26.608 1.00 52.45 ATOM 1452 HG23 THR 88 -31.166 37.083 -27.073 1.00 53.13 ATOM 1453 C THR 88 -28.381 39.512 -29.886 1.00 64.30 ATOM 1454 O THR 88 -29.140 39.533 -30.856 1.00 31.34 ATOM 1455 N ILE 89 -27.064 39.682 -29.997 1.00 52.10 ATOM 1456 HN ILE 89 -26.534 39.801 -29.182 1.00 37.38 ATOM 1457 CA ILE 89 -26.384 39.707 -31.297 1.00 22.11 ATOM 1458 HA ILE 89 -27.072 40.095 -32.039 1.00 55.40 ATOM 1459 CB ILE 89 -25.129 40.623 -31.256 1.00 1.44 ATOM 1460 HB ILE 89 -24.432 40.201 -30.545 1.00 52.24 ATOM 1461 CG1 ILE 89 -25.509 42.044 -30.795 1.00 61.01 ATOM 1462 HG11 ILE 89 -24.620 42.658 -30.776 1.00 37.38 ATOM 1463 HG12 ILE 89 -25.920 41.992 -29.798 1.00 51.34 ATOM 1464 CG2 ILE 89 -24.438 40.663 -32.622 1.00 21.45 ATOM 1465 HG21 ILE 89 -23.571 41.306 -32.570 1.00 40.12 ATOM 1466 HG22 ILE 89 -25.123 41.045 -33.365 1.00 44.22 ATOM 1467 HG23 ILE 89 -24.129 39.666 -32.899 1.00 32.22 ATOM 1468 CD1 ILE 89 -26.530 42.733 -31.681 1.00 53.13 ATOM 1469 HD11 ILE 89 -27.448 42.165 -31.682 1.00 41.35 ATOM 1470 HD12 ILE 89 -26.147 42.799 -32.689 1.00 43.34 ATOM 1471 HD13 ILE 89 -26.721 43.726 -31.303 1.00 33.22 ATOM 1472 C ILE 89 -25.965 38.284 -31.687 1.00 33.44 ATOM 1473 O ILE 89 -26.089 37.864 -32.840 1.00 11.33 ATOM 1474 N VAL 90 -25.463 37.543 -30.701 1.00 12.23 ATOM 1475 HN VAL 90 -25.313 37.960 -29.828 1.00 37.38 ATOM 1476 CA VAL 90 -25.131 36.133 -30.878 1.00 12.44 ATOM 1477 HA VAL 90 -24.663 36.018 -31.847 1.00 31.21 ATOM 1478 CB VAL 90 -24.137 35.643 -29.792 1.00 32.31 ATOM 1479 HB VAL 90 -24.628 35.707 -28.830 1.00 10.55 ATOM 1480 CG1 VAL 90 -23.747 34.184 -30.021 1.00 71.12 ATOM 1481 HG11 VAL 90 -23.087 33.855 -29.230 1.00 51.24 ATOM 1482 HG12 VAL 90 -23.241 34.089 -30.972 1.00 55.34 ATOM 1483 HG13 VAL 90 -24.635 33.569 -30.024 1.00 53.31 ATOM 1484 CG2 VAL 90 -22.901 36.540 -29.751 1.00 62.24 ATOM 1485 HG21 VAL 90 -23.198 37.557 -29.533 1.00 22.24 ATOM 1486 HG22 VAL 90 -22.397 36.509 -30.706 1.00 21.32 ATOM 1487 HG23 VAL 90 -22.230 36.191 -28.979 1.00 64.22 ATOM 1488 C VAL 90 -26.405 35.274 -30.838 1.00 15.25 ATOM 1489 O VAL 90 -26.832 34.813 -29.775 1.00 72.24 ATOM 1490 N GLN 91 -27.026 35.097 -31.996 1.00 64.21 ATOM 1491 HN GLN 91 -26.648 35.511 -32.802 1.00 37.38 ATOM 1492 HA GLN 91 -28.887 34.587 -31.258 1.00 73.44 ATOM 1493 CB GLN 91 -29.010 34.708 -33.390 1.00 44.34 ATOM 1494 HB1 GLN 91 -29.846 34.038 -33.523 1.00 37.38 ATOM 1495 HB2 GLN 91 -28.337 34.602 -34.232 1.00 53.13 ATOM 1496 CG GLN 91 -29.541 36.138 -33.378 1.00 21.14 ATOM 1497 HG1 GLN 91 -29.972 36.356 -34.346 1.00 37.38 ATOM 1498 HG2 GLN 91 -28.718 36.816 -33.193 1.00 70.34 ATOM 1499 CD GLN 91 -30.608 36.361 -32.312 1.00 33.53 ATOM 1500 OE1 GLN 91 -30.722 37.439 -31.744 1.00 63.44 ATOM 1501 NE2 GLN 91 -31.412 35.347 -32.044 1.00 32.20 ATOM 1502 HE21 GLN 91 -31.287 34.509 -32.533 1.00 30.21 ATOM 1503 HE22 GLN 91 -32.105 35.480 -31.369 1.00 23.24 ATOM 1504 CA GLN 91 -28.267 34.322 -32.105 1.00 65.51 ATOM 1505 C GLN 91 -28.006 32.804 -32.059 1.00 31.44 ATOM 1506 OT1 GLN 91 -27.537 32.239 -33.073 1.00 37.38 ATOM 1507 OT2 GLN 91 -28.275 32.183 -31.004 1.00 37.38 ATOM 1508 OH2 TIP3 1 -24.316 13.805 12.982 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -23.634 13.833 12.284 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -23.826 14.020 13.796 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -25.278 20.541 6.727 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -24.755 20.387 7.541 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -26.074 21.024 7.042 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -27.320 18.246 4.071 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -27.582 17.421 4.490 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -26.788 17.963 3.291 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -23.972 18.294 5.628 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -24.401 19.142 5.877 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -24.209 18.174 4.700 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -29.341 20.664 0.001 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -29.698 19.781 0.142 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -28.402 20.592 0.289 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -26.473 20.820 4.258 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -26.041 20.780 5.134 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -26.903 19.942 4.164 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -27.618 23.134 -4.025 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -28.235 22.555 -3.505 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -27.619 22.746 -4.908 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -23.738 20.017 9.035 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -24.274 19.196 9.061 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -22.830 19.702 8.929 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -24.884 15.338 9.314 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -24.511 14.482 9.027 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -25.506 15.098 10.040 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -26.960 19.496 9.150 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -26.430 18.813 8.685 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -27.314 20.054 8.437 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -27.698 21.496 13.838 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -27.593 20.746 13.208 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -27.118 21.259 14.594 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -27.417 19.762 11.780 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -27.203 19.757 10.816 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -27.261 18.827 12.060 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -25.104 17.757 8.107 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -25.104 16.843 8.476 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -24.743 17.651 7.206 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -23.760 18.661 22.226 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -23.786 19.630 22.354 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -23.414 18.317 23.079 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -25.956 21.124 15.985 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -25.737 20.176 16.094 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -25.801 21.505 16.863 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -22.810 17.112 12.870 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -22.876 17.052 11.897 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -21.968 17.601 13.022 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -36.089 31.638 -42.964 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -36.791 30.985 -42.884 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -35.726 31.492 -43.845 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -30.477 30.954 -39.981 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -31.270 31.351 -40.352 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -30.204 31.574 -39.273 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -31.109 33.745 -36.003 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -31.341 33.499 -35.092 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -31.750 34.446 -36.233 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -34.176 32.123 -35.285 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -33.888 31.181 -35.209 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -34.573 32.177 -36.158 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -31.617 25.953 -38.100 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -30.741 26.262 -38.423 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -31.884 25.288 -38.744 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -25.871 27.605 -34.129 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -26.840 27.511 -34.063 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -25.541 26.703 -34.057 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -31.390 34.278 -39.365 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -30.992 33.574 -38.819 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -30.629 34.637 -39.878 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -27.640 34.436 -37.667 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -27.345 33.943 -36.870 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -27.457 35.378 -37.447 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -26.221 34.913 -39.989 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -26.570 34.559 -39.147 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -26.289 34.158 -40.613 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -26.779 32.981 -35.541 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -26.931 32.163 -36.056 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -27.090 32.752 -34.626 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -26.954 29.590 -43.984 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -27.036 28.647 -44.144 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -26.905 29.667 -43.006 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -30.669 28.276 -31.784 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -29.818 28.716 -31.558 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -30.826 28.530 -32.721 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -32.286 32.918 -33.455 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -31.566 32.248 -33.564 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -32.995 32.612 -34.067 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -33.466 30.870 -30.837 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -34.061 31.389 -30.258 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -32.640 31.391 -30.860 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -29.656 32.643 -37.976 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -28.971 33.348 -38.054 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -30.152 32.880 -37.151 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -30.108 31.404 -33.911 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -30.173 30.454 -34.135 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -29.159 31.540 -33.707 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -33.200 35.503 -41.013 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -33.944 34.886 -41.191 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -32.598 34.992 -40.436 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -27.146 26.740 -31.166 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -27.796 27.220 -30.639 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -27.589 26.601 -32.025 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -29.791 26.736 -36.046 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -29.275 26.835 -36.871 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -30.594 26.268 -36.328 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -33.471 27.257 -36.480 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -32.841 26.855 -37.112 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -34.170 26.603 -36.394 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -30.766 28.810 -34.478 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -31.656 29.084 -34.788 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -30.471 28.155 -35.142 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -33.367 28.668 -32.470 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -32.617 28.260 -32.005 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -33.594 29.447 -31.915 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -27.129 32.883 -41.596 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -26.953 32.738 -42.557 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -28.055 33.159 -41.565 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -33.848 34.083 -31.416 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -33.298 33.537 -32.020 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -34.170 33.447 -30.741 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -27.488 30.979 -37.408 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -28.276 31.530 -37.581 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -27.642 30.175 -37.944 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -37.180 36.730 -29.283 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -37.434 37.668 -29.144 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -36.802 36.457 -28.419 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -32.058 31.106 -27.198 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -31.425 30.557 -27.705 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -32.923 30.801 -27.493 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -33.374 29.554 -35.049 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -33.517 29.229 -34.127 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -33.528 28.759 -35.609 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -28.377 29.492 -31.131 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -28.445 30.479 -31.141 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -27.465 29.316 -31.438 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -28.870 33.163 -28.401 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -28.429 33.106 -29.275 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -29.700 33.655 -28.584 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -26.874 32.289 -44.234 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -26.583 32.496 -45.126 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -26.928 31.305 -44.220 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -26.777 30.128 -41.307 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -25.917 29.934 -40.862 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -26.834 31.107 -41.300 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -28.483 29.203 -39.407 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -27.848 29.411 -40.130 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -29.284 29.730 -39.636 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -26.033 31.073 -29.947 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -25.800 30.385 -30.614 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -26.752 31.591 -30.381 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -25.727 29.023 -31.716 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -25.859 28.122 -31.351 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -25.467 28.864 -32.644 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -29.016 26.650 -38.726 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -28.868 27.602 -38.952 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -28.301 26.188 -39.178 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -28.603 26.842 -33.543 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -29.387 27.048 -33.008 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -28.957 26.740 -34.454 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -26.710 36.914 -37.060 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -26.326 37.292 -37.880 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -27.153 37.685 -36.624 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -35.646 35.097 -33.165 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -35.004 34.772 -32.497 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -35.549 34.485 -33.901 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -31.253 34.453 -28.855 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -31.877 35.170 -29.111 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -31.389 33.761 -29.537 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -35.274 33.738 -41.385 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -36.116 34.197 -41.441 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -35.421 32.906 -41.884 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -29.073 35.185 -40.534 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -28.135 35.235 -40.279 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -29.206 35.964 -41.112 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -30.368 41.574 -22.209 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -29.652 41.786 -22.844 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -31.040 41.127 -22.756 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -22.975 27.888 -9.963 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -23.621 28.131 -9.262 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -22.605 27.024 -9.662 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -29.234 32.662 -20.461 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -28.977 31.894 -19.940 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -28.990 33.428 -19.898 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -26.959 38.136 -18.189 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -27.800 37.668 -17.989 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -26.432 38.036 -17.364 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -29.042 35.974 -24.024 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -29.433 35.298 -23.435 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -28.858 35.485 -24.856 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -26.605 35.228 -20.858 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -26.219 34.344 -20.967 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -26.632 35.589 -21.771 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -26.593 32.105 -9.277 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -25.779 31.688 -9.590 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -26.444 32.231 -8.313 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -27.127 32.574 -13.981 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -28.088 32.768 -13.911 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -27.090 31.692 -14.376 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -28.073 29.656 -8.839 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -27.830 30.549 -9.138 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -27.930 29.681 -7.870 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -29.283 37.086 -17.215 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -29.403 36.859 -16.264 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -30.200 37.206 -17.552 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -31.671 34.555 -19.386 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -31.847 34.193 -20.265 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -30.692 34.621 -19.345 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -27.157 36.201 -27.552 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -27.112 35.670 -28.378 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -27.538 35.587 -26.895 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -30.273 38.619 -20.616 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -30.516 38.394 -21.540 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -30.767 37.968 -20.073 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -31.940 45.286 -24.651 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -31.538 44.415 -24.583 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -32.846 45.155 -24.345 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -25.713 27.177 -6.138 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -24.823 26.989 -5.759 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -25.807 26.521 -6.861 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -23.439 29.108 -6.407 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -23.383 28.146 -6.203 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -22.954 29.528 -5.676 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -30.543 29.741 -29.078 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -29.580 29.626 -29.015 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -30.806 29.145 -29.804 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -28.900 35.046 -19.158 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -28.079 35.249 -19.654 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -28.900 35.689 -18.420 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -36.050 34.349 -24.455 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -35.505 34.719 -23.720 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -36.759 33.875 -24.006 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -32.430 34.533 -14.327 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -32.464 34.114 -15.215 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -32.889 35.381 -14.451 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -26.383 36.040 -23.512 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -25.899 36.732 -24.012 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -27.326 36.191 -23.745 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -30.121 33.748 -22.789 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -29.793 33.332 -21.956 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -29.955 33.078 -23.467 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -31.959 33.697 -26.275 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -31.617 34.108 -27.098 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -31.890 32.728 -26.448 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -27.267 36.163 -11.662 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -28.250 36.219 -11.625 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -26.969 36.899 -11.116 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -24.910 38.120 -24.494 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -25.089 38.894 -25.071 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -24.885 38.504 -23.587 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -25.753 33.398 -23.150 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -26.035 32.893 -23.942 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -25.958 34.330 -23.373 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -37.057 34.131 -30.055 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -37.138 35.078 -29.800 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -37.703 34.021 -30.758 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -34.480 35.457 -22.532 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -34.670 36.413 -22.419 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -33.623 35.437 -23.006 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -28.102 26.895 -9.069 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -28.099 27.873 -8.984 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -28.810 26.717 -9.693 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -34.881 32.688 -29.305 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -35.744 33.094 -29.565 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -34.802 32.893 -28.347 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -26.345 32.117 -6.561 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -26.426 31.162 -6.353 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -27.263 32.448 -6.521 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -34.662 33.511 -26.702 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -33.708 33.571 -26.481 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -35.116 33.648 -25.842 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -29.725 33.667 -13.833 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -30.696 33.602 -13.840 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -29.550 34.567 -14.161 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -30.637 30.957 -5.943 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -31.478 31.460 -6.017 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -29.997 31.490 -6.460 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -30.983 32.145 -30.385 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -30.929 31.390 -29.764 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -30.082 32.197 -30.771 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -28.640 26.610 -1.334 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -29.330 25.905 -1.243 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -28.345 26.531 -2.265 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -28.666 33.886 -9.760 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -28.959 33.954 -10.678 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -27.881 33.296 -9.798 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -27.934 25.868 -3.901 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -27.810 24.889 -3.885 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -28.656 26.005 -4.529 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -36.011 35.901 -26.935 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -35.510 35.086 -27.143 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -36.370 35.734 -26.047 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -28.207 34.199 -25.965 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -28.581 33.843 -26.803 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -27.495 33.563 -25.734 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -25.875 37.604 -15.756 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -24.915 37.419 -15.692 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -26.288 36.882 -15.245 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -26.555 35.264 -14.141 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -26.710 34.288 -14.101 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -26.621 35.554 -13.202 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -25.004 29.175 -8.642 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -25.950 29.131 -8.436 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -24.566 29.202 -7.759 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -24.605 24.904 -10.638 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -24.589 24.032 -11.083 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -23.687 25.024 -10.313 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -25.128 37.515 -20.165 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -25.592 36.685 -20.402 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -25.603 37.831 -19.369 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -32.657 36.222 -12.040 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -32.499 35.300 -12.306 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -33.199 36.588 -12.772 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -29.135 37.405 -9.123 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -28.867 36.794 -8.409 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -29.178 38.264 -8.691 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -27.884 39.991 -20.103 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -27.401 39.447 -19.453 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -28.555 39.383 -20.473 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -29.944 36.598 -11.632 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -30.917 36.555 -11.757 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -29.835 36.903 -10.704 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -32.680 33.650 -16.932 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -32.345 34.034 -17.767 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -33.227 32.912 -17.214 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -32.128 35.255 -23.928 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -31.480 34.727 -23.417 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -32.137 34.828 -24.813 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -24.902 39.386 -22.144 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -25.450 40.132 -21.865 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -24.952 38.756 -21.390 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -32.065 28.928 -4.626 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -31.484 29.444 -5.219 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -32.869 29.488 -4.536 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -27.596 32.020 1.489 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -26.743 31.537 1.645 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -27.385 32.937 1.702 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -35.105 33.909 2.848 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -34.451 33.276 3.208 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -35.257 34.540 3.585 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -30.906 38.058 2.428 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -30.412 37.851 3.250 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -31.816 38.252 2.740 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -30.454 24.667 -1.090 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -31.251 24.384 -1.579 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -30.452 24.099 -0.290 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -36.139 31.675 -1.440 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -35.807 32.573 -1.642 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -36.008 31.585 -0.471 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -30.935 33.575 -1.990 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -30.484 33.358 -1.149 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -31.716 32.976 -1.999 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -34.187 33.790 7.711 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -35.091 33.631 7.373 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -34.324 34.231 8.555 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -36.694 33.783 6.485 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -36.250 34.381 5.844 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -37.328 34.364 6.952 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -27.082 29.113 0.606 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -27.814 29.736 0.650 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -26.298 29.645 0.896 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -28.673 24.235 6.910 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -29.020 24.852 7.575 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -29.094 24.521 6.080 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -29.181 37.422 0.399 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -29.915 37.170 0.990 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -29.386 36.970 -0.451 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -30.035 32.142 0.244 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -29.203 32.099 0.774 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -30.731 31.877 0.870 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -34.014 30.743 -4.235 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -33.955 31.400 -4.955 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -34.975 30.557 -4.153 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -27.000 29.500 -6.343 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -27.654 29.444 -5.610 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -26.465 28.672 -6.249 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -31.549 28.879 -1.929 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -31.794 28.851 -2.876 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -30.895 29.603 -1.877 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -37.906 25.300 -1.094 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -37.696 25.880 -0.337 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -38.776 24.947 -0.890 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -32.780 31.151 0.792 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -32.665 31.273 -0.174 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -33.751 31.186 0.919 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -35.488 31.601 1.255 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -35.669 30.920 1.937 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -35.597 32.450 1.731 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -33.388 31.797 3.541 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -34.009 31.052 3.668 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -32.911 31.570 2.719 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -38.124 35.679 7.941 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -37.780 35.240 8.758 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -38.942 36.100 8.227 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -28.815 29.541 -4.352 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -29.522 29.932 -4.905 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -28.980 29.911 -3.461 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -36.530 31.133 5.663 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -37.469 30.880 5.800 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -36.491 32.067 5.960 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -33.028 31.852 -1.895 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -33.746 32.519 -1.875 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -33.294 31.238 -2.615 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -25.339 22.238 -2.796 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -26.107 22.671 -3.235 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -24.644 22.209 -3.502 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -35.542 29.901 3.468 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -36.024 29.053 3.435 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -35.877 30.336 4.288 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -34.816 34.011 -2.093 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -34.279 34.320 -2.847 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -35.052 34.827 -1.621 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -29.848 36.233 -2.054 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -30.235 35.340 -2.075 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -29.659 36.432 -2.999 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -30.509 25.746 5.304 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -30.473 26.064 6.233 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -31.413 25.977 5.009 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -37.263 27.550 3.367 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -37.070 27.361 2.417 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -38.173 27.866 3.362 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -36.693 30.250 -3.634 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -37.485 30.680 -3.973 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -36.516 30.713 -2.774 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -31.234 29.077 7.787 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -30.893 29.684 8.474 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -32.209 29.111 7.898 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -35.141 25.230 -1.491 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -36.111 25.095 -1.426 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -35.041 25.895 -2.187 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -34.201 26.429 0.781 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -33.567 25.854 1.270 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -34.402 25.920 -0.033 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -32.940 26.601 4.468 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -33.357 25.777 4.131 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -33.456 26.816 5.274 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -26.888 35.812 8.134 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -27.011 36.013 9.078 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -26.671 34.870 8.115 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -36.806 27.208 0.694 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -35.854 26.976 0.806 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -36.834 27.683 -0.168 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -34.376 26.464 6.790 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -35.194 26.135 6.360 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -33.852 25.655 6.955 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -32.842 23.948 -2.381 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -32.724 24.776 -2.898 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -33.658 24.109 -1.864 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -32.640 26.516 -3.296 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -32.535 27.164 -4.020 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -32.311 26.983 -2.513 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -32.695 34.337 -4.078 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -31.898 34.126 -3.557 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -32.888 35.273 -3.846 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -34.078 28.941 7.986 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -34.161 28.029 7.623 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -34.666 29.470 7.429 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -36.832 27.997 -1.957 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -36.685 28.725 -2.593 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -37.431 27.397 -2.417 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -35.115 36.708 10.055 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -35.219 37.536 10.538 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -34.168 36.461 10.204 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -29.651 30.925 -2.145 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -29.676 31.245 -1.216 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -29.852 31.717 -2.669 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -32.792 33.980 5.343 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -32.909 33.135 4.867 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -33.146 33.801 6.244 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -32.589 24.537 1.961 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -33.036 24.063 2.685 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -31.862 23.936 1.691 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -31.902 21.525 -3.291 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -32.209 22.382 -2.919 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -32.695 21.131 -3.659 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -29.555 36.430 -4.825 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -30.364 36.607 -5.349 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -28.852 36.355 -5.496 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -32.854 24.054 6.582 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -32.939 23.779 7.528 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -31.909 23.960 6.394 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -24.995 39.561 0.728 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -25.869 39.559 1.183 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -25.021 38.778 0.167 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -28.979 32.897 -7.157 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -28.953 33.180 -8.100 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -29.205 33.705 -6.677 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -32.538 36.063 10.554 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -32.353 35.133 10.289 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -31.704 36.372 10.925 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -36.811 32.431 11.880 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -37.674 32.244 12.273 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -36.550 31.592 11.468 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -32.867 32.584 -6.139 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -32.817 33.251 -5.412 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -32.991 33.113 -6.934 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -39.219 30.877 6.128 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -40.010 30.412 6.417 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -39.455 31.810 6.189 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -34.455 29.132 10.753 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -34.396 29.012 9.784 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -33.936 29.949 10.926 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -30.477 26.453 7.917 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -30.896 26.157 8.755 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -30.709 27.406 7.860 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -36.465 25.590 5.210 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -36.657 26.285 4.541 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -37.334 25.294 5.499 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -34.215 24.130 4.249 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -35.120 24.399 4.490 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -33.799 23.889 5.106 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -27.546 21.840 7.751 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -27.957 22.566 7.228 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -27.573 22.164 8.662 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -33.338 36.660 -2.892 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -33.237 37.329 -3.602 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -33.151 37.151 -2.084 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -23.313 38.051 4.646 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -23.101 37.177 5.049 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -23.178 37.914 3.705 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -23.209 33.591 7.400 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -22.946 32.929 8.079 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -24.177 33.562 7.407 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -29.158 30.198 6.282 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -29.878 29.673 6.689 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -29.435 31.116 6.410 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -25.923 25.426 -8.216 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -26.765 25.868 -8.474 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -25.479 25.245 -9.071 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -26.135 22.720 -0.153 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -25.928 22.493 -1.081 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -26.373 21.862 0.258 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -24.491 24.221 -5.840 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -23.915 25.006 -5.679 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -24.955 24.434 -6.667 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -35.116 35.512 5.098 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -34.174 35.286 5.240 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -35.266 36.287 5.677 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -35.804 37.141 7.328 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -36.706 36.767 7.355 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -35.468 37.014 8.237 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -30.061 41.024 7.606 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -29.223 41.526 7.713 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -30.031 40.366 8.314 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -21.954 17.564 7.426 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -21.267 17.023 6.982 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -22.571 17.806 6.705 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -33.346 38.865 3.443 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -33.727 38.830 4.343 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -33.418 39.809 3.193 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -30.287 35.050 5.807 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -31.191 34.761 5.565 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -30.014 34.422 6.499 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -29.566 37.500 4.837 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -28.808 37.668 5.438 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -29.878 36.602 5.098 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -34.719 35.549 0.679 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -33.841 35.203 0.498 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -35.047 34.994 1.419 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -27.991 22.919 2.510 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -28.024 22.155 3.103 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -27.038 23.100 2.415 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -25.240 22.734 2.829 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -25.652 22.070 3.425 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -24.614 22.210 2.286 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -30.344 23.037 1.103 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -29.567 23.162 1.693 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -30.164 22.183 0.658 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -29.254 21.446 -2.707 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -30.193 21.390 -2.997 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -29.279 21.179 -1.767 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -31.774 36.971 -6.392 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -32.139 37.570 -5.708 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -32.185 37.269 -7.210 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -30.135 19.417 11.600 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -29.181 19.635 11.663 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -30.180 18.489 11.851 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -25.790 30.266 15.831 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -26.410 30.949 15.557 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -26.353 29.571 16.221 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -25.817 21.836 21.051 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -25.077 21.702 21.677 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -25.498 21.435 20.218 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -27.717 24.641 17.424 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -27.923 24.201 18.272 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -26.739 24.587 17.360 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -24.402 25.984 22.262 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -25.017 25.784 21.511 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -24.335 26.947 22.260 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -27.754 23.421 19.979 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -28.546 23.170 20.464 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -27.042 22.855 20.370 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -30.283 32.457 11.908 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -29.754 31.760 12.339 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -29.625 33.144 11.672 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -31.746 25.846 10.284 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -31.220 25.237 10.847 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -32.099 26.510 10.914 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -28.277 27.972 14.034 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -28.608 27.057 14.178 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -27.819 28.186 14.873 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -27.662 27.244 11.460 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -27.741 27.459 12.410 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -27.346 28.071 11.054 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -28.586 34.323 10.777 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -28.845 34.210 9.849 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -28.333 35.273 10.844 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -29.668 30.674 9.428 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -30.092 30.362 10.262 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -28.753 30.372 9.504 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -31.366 21.498 10.401 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -30.972 20.769 10.942 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -31.576 21.076 9.559 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -32.703 27.645 12.157 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -33.074 27.460 13.027 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -33.432 28.110 11.677 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -28.103 24.880 10.269 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -28.992 24.598 10.568 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -27.993 25.780 10.659 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -30.362 23.835 11.519 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -30.664 22.987 11.124 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -30.235 23.623 12.470 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -32.917 31.279 11.396 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -31.992 31.320 11.700 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -33.356 32.024 11.866 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -22.144 33.184 11.382 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -22.190 32.500 10.672 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -21.466 32.848 11.986 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -31.919 33.508 9.934 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -31.365 33.169 10.671 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -32.599 32.825 9.819 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -27.575 36.897 10.679 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -26.901 37.213 11.293 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -27.881 37.712 10.219 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -28.125 30.735 12.862 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -28.311 29.952 13.412 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -27.730 30.365 12.048 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -34.309 33.319 12.555 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -35.247 33.077 12.418 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -34.327 33.931 13.297 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -28.590 25.341 14.916 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -28.344 25.132 15.850 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -29.110 24.560 14.626 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -27.182 27.968 16.579 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -27.692 27.449 17.220 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -26.340 27.477 16.493 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -36.988 34.609 10.129 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -36.296 35.271 10.326 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -36.837 33.900 10.782 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -30.056 33.042 7.976 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -30.845 33.401 8.429 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -29.889 32.193 8.433 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -30.532 29.253 11.589 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -29.879 28.776 12.113 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -31.353 28.730 11.700 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -32.816 23.551 9.196 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -32.473 22.891 9.826 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -32.566 24.412 9.590 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -26.099 24.931 13.787 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -25.781 25.825 13.597 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -26.984 25.070 14.177 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -29.856 23.040 14.117 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -29.056 22.474 13.967 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -30.404 22.516 14.711 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -23.426 29.065 17.221 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -22.697 28.997 16.562 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -23.984 29.790 16.886 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -24.546 20.941 18.776 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -23.950 21.693 18.580 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -23.952 20.261 19.167 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -24.809 22.409 13.815 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -25.175 22.044 14.641 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -25.132 23.334 13.797 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -24.329 34.488 12.392 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -23.568 33.949 12.078 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -25.108 33.898 12.270 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -32.498 44.445 -32.882 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -31.601 44.846 -32.913 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -33.067 45.113 -33.279 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -32.551 42.311 -31.183 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -32.150 41.485 -31.540 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -32.406 42.973 -31.893 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -26.805 41.737 -36.255 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -26.113 42.101 -36.837 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -27.146 42.517 -35.776 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -31.021 49.529 -30.230 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -31.364 48.743 -30.717 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -31.794 50.133 -30.177 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -32.666 35.627 -37.314 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -33.520 35.954 -37.621 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -32.287 35.171 -38.098 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -28.356 47.027 -31.349 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -28.755 46.878 -30.459 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -28.268 48.000 -31.408 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -33.188 51.224 -29.890 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -33.060 52.133 -30.244 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -33.993 50.896 -30.363 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -36.021 49.009 -33.817 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -36.364 48.385 -34.459 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -35.424 48.474 -33.254 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -34.575 39.874 -29.344 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -34.467 39.171 -28.667 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -34.102 39.519 -30.130 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -33.116 43.947 -29.093 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -32.761 43.366 -29.808 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -32.433 44.658 -29.002 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -31.315 40.143 -32.338 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -30.568 39.812 -31.794 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -31.011 40.008 -33.261 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -28.925 54.037 -27.442 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -28.307 53.707 -28.132 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -28.869 55.012 -27.519 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -35.338 42.397 -29.049 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -34.518 42.934 -29.081 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -35.030 41.475 -29.226 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -30.187 45.892 -33.045 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -29.892 46.086 -33.966 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -29.434 46.186 -32.485 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -34.501 47.628 -31.990 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -33.519 47.584 -31.920 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -34.813 46.940 -31.368 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -35.444 47.194 -26.453 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -34.696 47.432 -27.039 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -36.119 46.824 -27.067 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -29.121 46.204 -35.538 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -28.435 46.723 -35.969 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -28.734 45.307 -35.471 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -34.960 45.638 -30.167 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -35.297 45.003 -30.843 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -34.286 45.117 -29.674 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -29.848 53.102 -30.724 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -29.010 53.107 -30.213 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -29.615 52.634 -31.553 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -32.301 40.454 -27.122 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -32.993 40.927 -27.599 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -32.075 39.700 -27.715 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -28.923 51.985 -33.066 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -29.547 52.548 -33.587 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -28.054 52.210 -33.419 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -33.557 47.539 -28.470 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -32.724 47.023 -28.609 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -34.154 47.211 -29.164 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -36.926 45.786 -28.243 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -37.636 45.183 -28.482 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -36.314 45.751 -29.007 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -36.252 42.663 -26.508 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -35.926 42.700 -27.437 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -36.089 41.733 -26.237 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -33.348 38.424 -31.237 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -34.159 38.222 -31.760 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -32.725 38.803 -31.889 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -35.514 43.471 -31.668 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -34.701 43.088 -32.027 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -35.766 42.865 -30.949 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -38.501 41.728 -27.940 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -37.827 42.177 -27.397 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -39.338 42.043 -27.589 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -33.206 36.191 -29.701 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -33.178 37.031 -30.222 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -33.746 35.588 -30.252 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -34.203 37.824 -27.630 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -34.880 37.185 -27.321 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -33.626 37.292 -28.215 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -35.772 39.918 -26.408 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -35.017 39.318 -26.536 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -36.446 39.585 -27.034 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -23.557 56.591 -31.037 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -22.678 56.834 -30.729 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -23.611 56.963 -31.922 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -28.525 49.811 -31.332 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -29.414 49.719 -30.920 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -28.661 50.477 -32.039 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -33.037 50.275 -24.618 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -32.946 49.854 -25.497 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -32.836 51.217 -24.789 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -27.764 43.909 -34.801 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -28.198 43.426 -34.087 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -27.251 44.609 -34.338 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -31.874 47.263 -31.457 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -31.275 46.838 -32.108 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -31.696 46.773 -30.613 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -29.340 37.262 -42.350 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -30.299 37.497 -42.291 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -29.237 36.925 -43.248 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -31.016 52.354 -27.899 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -30.317 53.021 -27.712 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -31.226 52.485 -28.837 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -30.364 56.813 -31.348 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -30.727 57.362 -30.647 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -30.051 56.020 -30.892 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -30.553 56.511 -34.055 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -30.501 56.661 -33.083 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -30.330 57.363 -34.438 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -30.469 53.801 -34.376 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -30.454 54.781 -34.267 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -31.093 53.654 -35.093 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -30.349 39.758 -34.919 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -30.563 38.888 -35.333 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -30.592 40.402 -35.590 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -27.813 39.172 -36.070 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -28.551 39.361 -35.465 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -27.372 40.045 -36.188 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -30.841 37.579 -36.468 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -31.504 36.894 -36.686 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -30.060 37.322 -36.970 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -32.033 37.552 -42.434 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -32.458 36.828 -41.916 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -32.772 38.041 -42.804 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -35.818 37.478 -31.864 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -36.370 37.243 -31.101 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -35.876 36.695 -32.453 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -37.066 49.629 -17.870 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -36.815 50.569 -17.800 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -37.531 49.447 -17.027 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -33.463 54.759 -15.630 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -33.198 54.386 -14.770 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -34.429 54.913 -15.536 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -35.132 38.129 -22.407 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -34.686 38.986 -22.250 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -35.924 38.363 -22.902 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -37.083 44.322 -15.399 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -37.568 44.205 -14.558 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -37.345 43.565 -15.930 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -32.520 46.079 -17.282 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -32.721 45.488 -16.518 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -33.256 45.918 -17.910 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -38.001 53.242 -15.545 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -37.370 52.712 -16.058 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -38.815 52.694 -15.531 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -31.654 37.213 -18.651 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -31.829 36.274 -18.877 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -32.540 37.577 -18.433 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -27.988 50.949 -16.653 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -28.481 51.269 -15.867 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -28.128 51.647 -17.321 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -34.588 46.146 -19.197 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -34.443 47.090 -19.411 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -35.540 46.102 -18.978 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -37.847 49.205 -15.276 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -37.389 48.342 -15.346 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -37.196 49.785 -14.819 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -35.917 51.011 -14.455 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -35.874 51.818 -13.889 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -35.841 51.359 -15.368 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -36.451 46.902 -15.999 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -36.619 45.965 -15.745 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -36.636 46.921 -16.960 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -36.172 55.150 -14.920 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -36.613 56.004 -14.966 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -36.880 54.500 -15.161 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -36.108 54.201 -18.632 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -36.677 54.820 -19.100 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -35.312 54.129 -19.199 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -37.583 47.610 -21.398 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -36.929 47.638 -22.125 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -38.421 47.795 -21.828 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -25.727 53.799 -10.723 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -26.177 53.085 -11.218 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -26.429 54.147 -10.127 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -35.290 53.271 -13.123 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -34.374 53.539 -12.941 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -35.673 54.035 -13.598 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -33.429 56.533 -23.809 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -34.183 56.065 -24.249 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -33.495 57.437 -24.135 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -32.594 52.781 -25.665 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -32.102 53.552 -25.308 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -32.126 52.566 -26.502 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -33.903 53.747 -20.166 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -34.298 53.290 -20.951 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -33.521 54.579 -20.542 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -34.142 38.366 -18.339 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -34.818 37.788 -18.715 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -34.316 39.243 -18.754 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -29.149 36.374 -14.453 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -29.463 36.647 -13.568 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -28.222 36.111 -14.308 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -34.285 43.485 -20.308 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -34.224 43.584 -21.277 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -34.365 44.401 -19.979 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -37.187 47.054 -18.720 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -37.266 47.992 -18.446 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -37.401 47.071 -19.681 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -31.713 44.106 -10.069 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -30.775 43.864 -9.923 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -32.043 44.328 -9.171 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -37.315 39.369 -28.670 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -36.537 39.675 -29.173 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -37.864 40.178 -28.560 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -35.319 44.862 -24.974 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -35.280 45.641 -25.570 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -35.723 44.157 -25.528 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -35.992 47.371 -23.723 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -35.882 47.599 -24.673 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -35.936 46.400 -23.709 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -33.908 40.588 -22.109 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -34.159 41.516 -22.287 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -33.213 40.399 -22.776 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -32.961 44.505 -15.146 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -33.761 44.010 -14.933 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -32.606 44.771 -14.268 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -34.652 48.971 -19.215 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -35.544 49.028 -18.821 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -34.299 49.880 -19.132 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -33.903 49.857 -13.028 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -34.694 50.273 -13.436 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -34.082 48.892 -13.102 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -39.769 51.131 -15.737 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -39.150 50.404 -15.514 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -40.620 50.696 -15.830 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -31.022 47.970 -22.425 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -32.000 47.997 -22.492 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -30.833 48.373 -21.562 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -34.313 44.371 -11.105 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -33.791 44.907 -11.736 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -33.634 43.925 -10.563 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -32.610 51.552 -11.233 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -33.070 51.340 -10.411 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -32.966 50.900 -11.879 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -35.951 52.038 -17.042 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -35.104 51.714 -17.425 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -36.117 52.888 -17.519 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -33.763 51.515 -18.526 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -32.937 51.686 -18.046 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -33.818 52.251 -19.172 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -32.535 53.582 -13.127 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -31.605 53.904 -13.143 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -32.556 52.958 -12.365 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -29.839 54.020 -13.112 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -29.324 54.041 -12.295 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -29.766 54.942 -13.467 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -27.877 53.991 -24.852 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -28.300 53.840 -25.724 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -28.046 54.944 -24.670 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -33.688 48.562 -22.632 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -33.507 49.164 -23.395 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -34.517 48.106 -22.881 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -33.463 40.187 -16.354 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -33.577 39.378 -16.890 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -33.946 40.862 -16.842 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -34.999 52.398 -22.247 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -35.178 51.458 -22.139 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -35.094 52.552 -23.212 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -34.388 40.861 -19.412 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -34.232 40.574 -20.336 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -34.494 41.835 -19.485 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -32.035 45.068 -12.617 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -31.147 45.453 -12.782 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -31.938 44.628 -11.745 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -34.113 43.162 -23.225 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -34.681 43.804 -23.711 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -33.730 42.615 -23.922 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -29.405 52.665 -18.390 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -28.936 53.007 -19.179 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -30.175 53.261 -18.289 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -35.210 52.642 -25.032 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -35.551 51.936 -25.593 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -34.262 52.725 -25.300 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -35.965 47.750 -9.832 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -35.117 48.172 -9.554 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -36.587 48.485 -9.878 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -36.555 45.836 -11.801 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -36.472 46.552 -11.136 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -35.822 45.222 -11.583 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -31.248 47.855 -25.397 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -31.551 46.922 -25.381 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -31.185 48.096 -24.455 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -32.857 49.954 -27.417 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -33.166 49.077 -27.736 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -33.055 50.561 -28.163 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -38.546 44.364 -13.028 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -39.248 45.012 -13.155 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -37.859 44.852 -12.514 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -35.215 50.204 -31.345 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -34.964 49.265 -31.445 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -35.743 50.389 -32.138 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -31.638 47.235 -7.941 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -30.708 47.054 -8.164 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -32.011 46.350 -7.730 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -38.765 41.910 -11.727 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -39.705 41.716 -11.776 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -38.662 42.736 -12.244 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -33.548 39.778 -13.637 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -33.976 40.582 -13.254 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -33.386 40.020 -14.575 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -34.997 47.426 -13.677 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -35.372 47.258 -14.566 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -35.540 46.881 -13.084 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -33.970 37.125 -14.228 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -33.727 38.060 -14.038 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -34.834 37.187 -14.647 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -34.811 41.919 -12.472 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -34.673 42.804 -12.095 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -35.387 41.470 -11.820 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -33.425 38.718 -10.997 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -33.150 37.797 -11.161 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -33.424 39.128 -11.884 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -34.133 40.467 -9.022 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -33.784 39.826 -9.684 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -34.935 40.825 -9.442 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -23.389 54.242 -18.195 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -23.512 54.867 -17.461 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -22.669 53.660 -17.887 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -22.719 55.046 -15.350 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -23.220 54.726 -14.570 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -22.256 55.848 -15.021 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -29.811 51.809 -14.856 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -29.746 52.561 -14.233 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -30.778 51.658 -14.948 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -32.290 50.319 -21.022 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -32.212 51.046 -21.655 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -32.910 49.692 -21.454 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -31.188 56.321 -16.284 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -30.957 55.802 -17.066 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -32.054 55.966 -16.011 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -29.885 56.598 -13.888 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -30.266 56.601 -14.796 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -29.956 57.512 -13.600 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -32.525 51.445 -14.839 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -33.000 50.766 -14.320 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -32.700 52.274 -14.360 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -30.991 37.824 -23.283 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -31.635 37.100 -23.400 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -30.149 37.443 -23.612 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -25.278 40.364 -26.004 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -25.945 40.924 -26.452 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -24.429 40.652 -26.385 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -32.026 40.295 -24.124 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -32.108 40.330 -25.101 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -31.634 39.409 -23.948 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -35.554 55.368 -25.036 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -36.337 55.530 -25.569 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -35.485 54.388 -25.000 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -29.699 53.400 -22.816 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -28.989 53.492 -23.483 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -29.224 53.236 -21.985 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -28.075 54.175 -9.347 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -28.096 54.298 -8.390 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -28.762 53.502 -9.518 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -29.191 44.796 -0.438 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -28.224 44.723 -0.298 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -29.495 45.358 0.309 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -30.171 46.085 1.777 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -30.013 46.815 2.417 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -31.128 45.888 1.868 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -27.340 52.993 -2.373 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -26.732 53.443 -2.989 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -28.019 53.649 -2.192 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -27.493 39.258 1.784 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -27.408 39.408 2.751 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -27.964 38.408 1.712 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -30.582 41.428 2.786 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -30.302 40.924 3.587 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -30.130 42.295 2.881 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -26.493 44.120 7.019 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -25.804 44.728 7.344 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -26.699 44.449 6.130 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -32.490 49.511 -4.109 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -32.034 49.536 -3.258 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -33.330 49.958 -3.943 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -36.691 39.319 3.807 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -37.406 39.824 3.413 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -36.295 38.831 3.049 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -27.707 50.830 -0.668 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -27.225 50.166 -1.197 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -27.627 51.656 -1.193 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -32.827 46.669 -3.992 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -33.533 46.436 -4.632 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -32.644 47.605 -4.172 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -32.694 44.733 -7.594 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -32.720 44.230 -6.745 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -33.631 44.965 -7.761 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -25.721 46.462 1.936 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -25.858 47.356 1.552 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -24.819 46.501 2.314 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -29.746 48.072 3.605 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -28.883 48.098 4.079 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -29.648 48.750 2.900 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -26.899 50.258 -9.614 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -27.793 50.051 -9.270 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -26.448 50.695 -8.857 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -29.770 40.206 5.043 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -29.887 39.230 5.078 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -29.941 40.503 5.966 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -31.113 46.525 5.539 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -30.895 46.948 6.374 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -30.709 47.108 4.862 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -32.897 40.565 -6.596 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -33.433 40.438 -7.414 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -32.411 41.382 -6.760 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -32.013 44.198 -3.033 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -32.250 45.132 -3.250 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -32.131 44.138 -2.062 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -31.811 43.793 -0.281 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -32.115 44.239 0.538 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -30.875 44.074 -0.372 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -36.501 40.931 -10.528 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -36.804 40.077 -10.202 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -37.310 41.340 -10.919 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -29.646 43.907 3.382 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -29.686 44.678 2.780 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -30.431 44.015 3.961 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -32.978 41.292 0.216 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -33.297 41.371 1.138 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -32.671 42.194 -0.009 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -32.642 44.898 2.126 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -33.582 45.105 2.168 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -32.451 44.474 2.997 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -33.247 41.602 3.010 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -32.266 41.575 2.936 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -33.407 41.818 3.950 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -34.859 45.959 -5.762 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -35.126 45.879 -6.699 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -35.116 45.117 -5.370 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -27.299 48.523 4.719 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -26.406 48.295 5.065 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -27.248 49.468 4.546 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -31.644 49.706 -6.792 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -31.865 49.712 -5.838 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -31.720 48.762 -7.049 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -26.147 48.955 -1.975 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -25.653 49.439 -2.645 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -26.325 48.080 -2.393 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -28.948 49.444 1.349 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -28.860 48.657 0.802 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -28.679 50.177 0.756 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -29.425 49.719 -8.555 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -30.168 49.869 -7.931 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -29.187 48.780 -8.418 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -24.404 56.555 -5.454 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -24.146 56.247 -6.349 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -24.127 57.476 -5.433 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -27.118 40.275 4.327 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -26.998 41.217 4.070 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -28.038 40.236 4.663 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -29.417 43.259 -2.764 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -29.275 43.855 -2.005 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -30.318 43.474 -3.068 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -33.514 39.730 -2.011 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -33.251 40.271 -1.234 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -34.449 39.551 -1.866 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -32.059 44.118 4.678 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -32.431 43.523 5.355 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -31.850 44.948 5.170 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -32.826 38.777 -4.550 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -32.922 39.298 -3.724 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -32.869 39.453 -5.267 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -27.173 42.892 3.667 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -28.116 43.172 3.611 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -26.710 43.695 3.974 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -26.512 44.429 0.244 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -25.833 43.733 0.419 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -26.230 45.183 0.812 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -29.815 52.028 -10.229 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -30.721 51.949 -10.582 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -29.696 51.217 -9.693 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -33.668 48.944 -8.850 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -33.393 49.583 -8.176 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -32.975 48.256 -8.818 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -35.227 45.451 -8.472 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -35.575 46.288 -8.843 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -35.175 44.857 -9.239 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -34.845 39.329 5.804 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -35.154 38.631 6.418 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -35.584 39.417 5.153 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -33.142 41.582 5.834 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -32.420 41.320 6.425 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -33.803 40.861 5.929 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -24.848 47.704 5.482 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -24.137 47.569 4.830 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -24.575 47.163 6.252 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -28.064 42.246 1.095 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -27.549 42.227 1.922 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -27.733 43.032 0.631 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -26.435 45.434 4.397 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -26.472 46.278 4.876 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -26.325 45.701 3.458 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -28.174 39.207 9.217 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -28.099 38.784 8.334 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -27.841 40.114 9.074 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -27.393 41.689 8.019 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -27.146 42.613 7.782 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -26.706 41.141 7.580 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -27.626 38.044 6.770 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -27.299 37.186 7.133 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -26.818 38.585 6.666 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -35.374 38.070 1.741 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -35.246 37.202 1.309 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -34.543 38.218 2.232 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -32.985 43.179 -5.373 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -33.329 42.302 -5.160 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -32.628 43.513 -4.517 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -26.548 32.924 12.101 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -27.215 33.437 11.603 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -27.064 32.221 12.536 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -28.280 56.733 -27.642 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -27.400 56.277 -27.610 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -28.104 57.547 -28.123 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -27.408 53.084 -29.471 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -26.768 53.737 -29.833 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -26.836 52.390 -29.072 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -32.488 53.612 -31.016 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -32.618 54.097 -31.837 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -31.518 53.466 -30.972 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -28.966 56.477 -24.958 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -29.854 56.069 -24.967 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -28.829 56.776 -25.877 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -32.015 53.942 -17.917 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -32.629 54.078 -18.660 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -32.555 54.133 -17.119 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -32.934 56.031 -21.175 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -33.172 56.175 -22.118 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -32.313 56.739 -20.977 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -31.263 54.924 -24.550 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -31.970 55.462 -24.138 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -30.838 54.459 -23.794 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -3.507 -15.355 10.939 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -4.330 -15.491 10.439 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -2.825 -15.811 10.403 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -4.526 -14.436 6.953 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -4.036 -15.238 6.671 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -4.273 -13.758 6.285 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -5.626 -4.414 9.206 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -6.169 -4.028 8.490 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -5.934 -5.344 9.264 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -13.016 -6.575 8.995 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -12.697 -7.464 9.258 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -13.321 -6.693 8.090 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -8.961 0.312 10.460 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -9.146 -0.638 10.599 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -8.625 0.621 11.329 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -6.183 -7.157 8.972 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -7.051 -7.607 9.063 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -5.696 -7.702 8.342 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -12.091 -9.119 9.529 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -11.337 -9.282 8.910 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -12.656 -9.893 9.420 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -13.335 -4.218 10.326 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -13.471 -3.588 9.578 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -13.291 -5.101 9.889 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -6.922 -3.130 7.134 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -6.646 -3.321 6.229 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -6.591 -2.215 7.299 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -8.597 -8.153 9.844 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -8.951 -8.577 10.647 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -8.784 -7.195 9.979 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -9.047 -5.536 10.379 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -8.965 -4.817 9.713 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -9.793 -5.246 10.952 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -4.397 -12.242 8.650 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -4.987 -12.447 9.402 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -4.522 -12.995 8.040 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -6.087 -18.305 8.302 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -5.498 -18.878 8.844 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -6.420 -18.892 7.617 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -9.958 -9.638 7.953 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -9.390 -10.124 7.347 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -9.335 -9.120 8.506 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -9.769 -2.392 11.037 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -10.221 -3.165 11.436 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -9.509 -2.704 10.144 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -10.693 -8.751 17.396 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -10.643 -7.857 17.779 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -10.894 -8.592 16.456 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -8.099 5.546 18.509 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -7.664 5.784 17.678 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -8.405 4.621 18.363 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -6.701 -17.915 20.011 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -6.977 -18.492 20.752 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -6.741 -17.012 20.388 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -7.366 -15.531 21.411 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -7.780 -16.034 22.154 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -8.115 -15.167 20.925 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -10.509 -5.959 17.232 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -10.893 -5.094 17.000 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -9.740 -6.044 16.644 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -6.984 -10.640 16.635 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -7.932 -10.792 16.450 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -6.966 -10.351 17.560 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -15.299 -3.999 18.061 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -14.396 -4.050 18.387 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -15.249 -4.371 17.163 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -6.634 -10.968 22.796 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -6.287 -11.855 22.584 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -7.266 -11.130 23.536 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -4.505 -9.191 17.287 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -5.041 -9.538 18.035 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -5.036 -8.433 16.949 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -12.190 -5.728 14.297 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -11.815 -5.074 14.927 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -13.149 -5.699 14.474 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -7.015 -15.067 15.472 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -6.896 -15.720 16.195 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -7.779 -14.517 15.768 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -11.564 -3.615 15.965 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -12.414 -3.144 15.898 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -10.904 -2.957 15.646 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -10.192 -1.565 14.838 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -10.647 -1.231 14.038 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -9.581 -0.862 15.075 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -7.877 -6.189 12.733 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -8.268 -5.878 11.896 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -7.148 -6.782 12.450 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -6.083 -7.083 16.637 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -6.271 -6.301 17.162 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -6.883 -7.190 16.077 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -10.793 -8.230 14.606 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -11.356 -7.429 14.572 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -10.671 -8.475 13.664 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -11.139 -4.722 11.907 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -11.451 -5.076 12.770 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -11.969 -4.555 11.403 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -19.217 -1.597 15.722 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -20.003 -2.154 15.738 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -19.055 -1.382 16.671 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -10.699 -8.388 11.836 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -11.241 -8.776 11.118 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -10.854 -7.439 11.761 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -8.478 -6.824 15.251 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -9.189 -7.473 15.087 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -8.258 -6.480 14.351 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -14.781 -4.602 15.259 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -15.595 -4.622 14.743 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -14.473 -3.672 15.184 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -17.080 -1.973 14.040 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -16.464 -1.345 14.466 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -17.870 -1.964 14.622 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -6.054 -9.931 19.432 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -5.900 -10.881 19.639 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -6.450 -9.571 20.244 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -7.477 -1.398 19.689 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -8.272 -1.940 19.729 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -7.292 -1.175 20.633 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -13.804 -2.175 12.146 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -14.622 -1.738 11.824 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -13.709 -2.962 11.566 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -11.467 -0.800 12.471 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -10.856 -1.337 11.922 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -12.334 -1.260 12.384 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -16.323 -1.181 11.578 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -16.635 -1.518 12.455 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -16.911 -1.602 10.942 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -5.851 -7.674 11.643 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -4.876 -7.611 11.647 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -6.094 -7.505 10.714 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -15.643 0.189 14.999 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -16.350 0.410 15.641 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -15.556 0.998 14.458 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -8.880 2.921 18.471 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -9.078 2.762 19.415 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -8.564 2.053 18.144 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -6.968 -3.456 23.946 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -7.758 -3.802 24.375 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -6.229 -3.748 24.529 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -3.492 -2.698 17.120 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -3.988 -2.637 17.970 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -3.860 -1.964 16.578 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -5.961 -13.398 10.584 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -6.580 -13.660 11.303 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -5.987 -14.155 9.965 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -5.174 -12.522 19.709 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -4.193 -12.451 19.691 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -5.361 -13.319 19.171 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -9.466 -10.816 27.115 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -10.383 -10.604 27.323 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -9.016 -10.787 27.965 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -7.190 -14.441 12.748 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -7.732 -15.071 12.220 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -7.368 -14.693 13.681 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -9.705 -10.936 16.196 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -10.016 -10.552 15.364 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -10.032 -10.308 16.884 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -2.479 -12.678 19.689 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -2.017 -13.283 19.076 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -2.108 -12.900 20.569 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -8.318 -11.687 24.798 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -8.711 -11.241 25.582 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -8.561 -12.610 24.907 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -9.314 -13.644 16.063 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -10.228 -13.921 16.162 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -9.348 -12.666 16.154 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -7.958 -16.099 10.710 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -8.458 -16.851 10.383 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -7.231 -15.996 10.066 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -18.763 -0.703 18.267 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -18.258 -1.429 18.713 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -19.327 -0.330 18.982 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -6.359 -16.987 17.364 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -5.931 -17.734 16.894 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -6.638 -17.372 18.219 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -13.934 -2.044 14.918 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -14.426 -1.220 15.117 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -13.828 -2.029 13.942 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -9.728 15.049 -9.245 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -9.099 14.299 -9.311 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -9.166 15.802 -8.958 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -13.227 17.365 -14.143 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -14.004 17.012 -14.635 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -12.917 18.118 -14.695 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -5.610 16.583 -7.188 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -6.493 16.829 -7.545 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -5.812 16.044 -6.404 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -12.301 17.937 -11.632 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -11.539 17.316 -11.544 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -12.740 17.653 -12.461 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -10.613 16.690 -14.980 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -10.662 17.613 -15.261 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -11.479 16.524 -14.567 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -6.114 16.958 -10.212 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -5.474 16.329 -9.826 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -6.798 17.057 -9.516 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -12.194 19.477 -15.508 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -12.272 19.740 -16.431 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -12.280 20.318 -15.009 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -17.592 15.978 -6.032 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -17.658 15.497 -6.879 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -17.500 15.268 -5.365 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -8.776 15.021 -13.834 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -8.733 14.266 -14.429 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -9.361 15.664 -14.304 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -11.429 20.501 -11.668 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -10.481 20.375 -11.516 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -11.795 19.583 -11.672 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -6.720 14.882 -11.942 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -6.668 15.780 -11.553 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -7.372 14.974 -12.669 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -9.357 15.882 -6.103 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -10.299 15.795 -6.358 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -8.898 16.117 -6.947 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -10.211 16.200 -11.719 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -9.670 15.730 -12.381 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -10.081 15.687 -10.895 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -14.549 19.576 -9.462 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -14.017 20.036 -8.785 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -13.898 19.084 -9.985 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -15.667 19.217 -13.748 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -16.225 19.427 -12.961 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -14.914 18.733 -13.380 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -15.588 16.976 -15.434 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -15.852 17.819 -15.016 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -16.417 16.569 -15.693 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -15.155 21.906 -14.571 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -14.194 21.788 -14.426 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -15.519 21.002 -14.487 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -16.475 9.152 -8.775 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -15.601 9.598 -8.839 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -16.401 8.399 -9.366 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -11.598 15.108 0.150 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -11.425 14.199 0.405 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -11.742 15.061 -0.819 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -22.352 13.678 1.553 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -22.075 13.656 2.500 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -22.530 12.755 1.336 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -18.903 13.666 4.776 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -18.921 13.208 5.646 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -18.029 13.439 4.408 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -4.473 6.206 9.306 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -3.541 6.078 9.577 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -4.485 5.954 8.378 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -11.810 14.839 -2.560 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -12.559 14.246 -2.795 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -11.063 14.502 -3.095 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -17.526 10.176 4.449 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -17.091 11.048 4.352 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -17.864 9.980 3.571 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -21.569 13.441 6.893 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -22.227 13.227 7.591 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -20.786 12.898 7.126 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -10.957 17.276 1.684 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -11.116 16.520 1.077 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -10.575 17.965 1.113 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -12.018 13.913 5.671 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -11.273 14.535 5.536 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -12.811 14.438 5.428 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -13.664 13.015 -3.287 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -14.431 12.573 -2.869 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -12.974 12.315 -3.337 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -9.808 9.014 7.675 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -9.356 9.709 7.185 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -10.509 9.475 8.148 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -18.918 11.948 -5.182 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -18.400 11.586 -5.942 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -19.199 11.164 -4.692 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -19.816 17.058 1.228 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -19.733 17.056 2.188 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -18.942 17.369 0.914 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -15.610 14.030 6.985 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -14.982 14.459 6.369 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -16.328 14.702 7.098 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -20.200 15.732 6.235 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -20.768 15.017 6.597 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -19.710 15.297 5.511 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -18.953 12.502 7.279 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -18.439 12.937 7.968 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -18.562 11.599 7.223 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -21.583 13.840 4.127 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -21.865 13.645 5.043 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -20.609 13.734 4.153 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -9.014 17.068 7.179 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -8.296 17.487 6.680 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -9.636 16.758 6.486 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -17.487 15.946 6.962 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -17.240 16.710 6.397 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -18.462 15.944 6.938 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -25.089 17.411 -0.555 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -25.371 18.091 -1.200 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -24.128 17.343 -0.688 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -8.426 6.687 8.317 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -8.961 5.956 7.956 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -8.918 7.494 8.059 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -23.329 12.963 9.002 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -22.898 13.360 9.797 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -23.618 12.094 9.299 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -9.998 4.703 7.118 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -10.765 4.712 7.743 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -10.404 4.809 6.250 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -14.175 10.645 -8.806 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -13.253 10.823 -9.009 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -14.504 11.487 -8.423 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -12.316 4.958 8.524 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -12.843 5.749 8.671 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -12.749 4.275 9.077 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -16.254 12.182 -2.322 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -16.229 11.261 -2.047 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -17.137 12.501 -2.007 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -14.941 10.162 8.140 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -15.170 9.428 8.757 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -13.979 10.098 8.043 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -14.399 14.397 -5.477 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -15.358 14.404 -5.272 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -13.999 13.921 -4.713 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -17.516 10.164 7.154 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -17.612 9.985 6.189 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -16.549 10.164 7.300 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -16.247 12.622 4.625 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -16.172 13.048 5.500 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -15.333 12.318 4.429 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -21.277 12.614 -2.936 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -21.203 13.088 -3.790 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -22.172 12.800 -2.640 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -18.825 12.733 -1.592 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -19.078 13.374 -0.892 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -19.650 12.610 -2.107 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -13.583 11.874 4.557 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -13.043 11.125 4.287 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -12.935 12.546 4.852 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -15.231 12.900 -7.665 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -14.819 13.404 -6.934 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -15.970 13.469 -7.960 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -12.178 15.822 -6.489 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -12.940 15.343 -6.094 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -12.197 15.565 -7.421 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -23.222 16.160 2.381 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -23.089 15.307 1.909 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -22.756 16.037 3.219 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -17.836 13.955 -7.952 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -17.955 12.995 -7.826 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -18.749 14.294 -8.078 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -16.962 13.788 -4.514 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -16.597 13.390 -3.699 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -17.737 13.222 -4.724 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -7.708 3.184 6.959 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -8.569 3.653 7.038 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -7.056 3.895 6.893 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -21.747 16.494 -6.293 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -21.657 15.885 -5.543 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -22.125 17.309 -5.897 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -25.480 18.384 -4.340 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -25.776 17.592 -4.795 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -24.574 18.534 -4.682 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -22.603 16.695 9.996 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -23.494 16.370 9.750 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -22.242 17.058 9.156 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -17.843 17.149 13.645 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -17.056 16.776 14.097 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -17.886 16.655 12.797 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -20.402 14.932 -8.030 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -20.865 15.017 -8.869 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -20.792 15.644 -7.467 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -15.810 12.483 9.325 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -15.734 13.139 8.598 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -15.647 11.623 8.884 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -17.415 11.216 -7.282 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -16.539 11.644 -7.327 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -17.295 10.375 -7.785 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -12.739 12.042 7.652 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -12.322 12.733 7.096 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -13.645 11.987 7.316 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -20.906 13.777 -5.436 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -20.165 13.137 -5.337 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -20.844 14.066 -6.363 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -15.434 8.193 9.974 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -14.785 8.542 10.634 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -15.406 7.228 10.109 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -11.264 11.689 -3.626 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -10.623 12.409 -3.795 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -10.828 10.900 -3.963 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -13.423 8.963 11.586 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -13.014 9.843 11.516 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -12.918 8.515 12.293 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -13.711 0.038 9.503 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -12.858 0.455 9.717 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -14.348 0.484 10.095 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -14.567 5.700 11.158 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -13.909 6.074 11.765 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -14.192 4.827 10.905 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -13.495 3.265 10.404 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -12.716 2.680 10.531 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -14.259 2.690 10.625 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -13.749 -2.410 8.327 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -13.706 -1.521 8.752 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -14.294 -2.271 7.549 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -25.814 19.642 -2.001 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -25.713 20.573 -2.283 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -25.794 19.135 -2.849 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -25.651 17.450 2.067 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -25.678 17.382 1.085 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -24.840 16.962 2.312 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -8.958 20.878 2.830 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -8.298 21.172 2.170 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -8.476 20.225 3.372 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -10.187 21.013 7.963 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -9.239 21.295 8.026 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -10.427 21.193 7.036 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -10.678 14.958 11.613 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -11.338 14.347 11.274 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -10.082 15.121 10.846 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -9.583 13.928 -4.071 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -9.532 14.488 -4.874 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -8.691 13.977 -3.696 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -10.527 16.226 4.988 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -11.352 16.686 4.721 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -9.929 16.362 4.237 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -12.723 17.322 3.732 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -12.964 18.270 3.757 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -12.134 17.248 2.939 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -13.139 11.688 10.424 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -12.726 11.823 9.549 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -14.049 12.003 10.306 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -6.727 7.143 10.431 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -7.420 6.988 9.746 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -5.901 6.805 10.012 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -6.957 1.434 8.962 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -7.296 2.052 8.279 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -7.767 1.061 9.374 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -22.266 14.200 11.145 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -22.239 15.126 10.813 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -21.461 14.122 11.702 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -9.202 -3.524 8.581 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -9.930 -3.343 7.971 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -8.392 -3.395 8.036 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -22.316 17.628 0.083 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -22.755 17.230 0.859 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -21.364 17.458 0.239 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -19.984 14.422 0.248 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -20.858 14.186 0.609 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -19.859 15.349 0.517 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -22.797 18.746 -5.046 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -22.351 19.544 -5.395 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -22.647 18.796 -4.069 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -17.842 18.753 -6.189 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -17.328 18.916 -5.380 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -17.984 17.783 -6.187 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -11.525 1.343 10.770 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -11.606 0.696 11.506 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -10.645 1.153 10.386 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -14.234 15.224 4.764 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -14.882 14.986 4.087 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -13.777 16.016 4.392 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -11.908 11.630 18.852 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -12.039 12.484 19.319 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -12.266 11.795 17.952 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -22.317 13.331 16.654 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -22.295 13.932 15.876 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -21.659 12.639 16.437 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -7.582 4.749 21.232 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -7.731 5.139 20.346 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -8.130 3.934 21.228 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -9.646 7.490 19.796 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -9.074 6.876 19.292 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -10.524 7.404 19.370 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -18.305 3.551 15.417 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -18.022 2.676 15.760 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -19.242 3.595 15.635 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -18.579 9.152 15.404 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -18.045 9.266 16.201 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -18.490 8.195 15.189 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -8.964 5.983 23.400 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -8.532 6.046 24.276 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -8.270 5.616 22.812 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -20.121 16.766 24.239 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -19.561 17.568 24.143 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -19.874 16.210 23.465 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -19.409 15.447 21.936 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -19.197 16.273 21.450 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -20.103 15.012 21.380 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -27.111 17.176 12.363 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -26.462 17.321 13.090 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -26.841 16.326 11.968 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -12.584 13.930 20.182 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -13.021 14.687 19.723 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -13.189 13.716 20.905 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -11.003 4.263 22.807 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -11.572 4.205 23.585 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -10.348 4.962 23.039 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -17.406 -2.757 19.412 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -16.666 -3.162 18.910 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -17.480 -3.311 20.217 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -7.974 13.386 21.954 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -8.825 13.545 21.496 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -8.234 13.115 22.858 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -10.490 10.294 24.215 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -10.192 9.711 23.486 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -11.474 10.318 24.115 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -19.556 12.107 18.914 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -20.125 12.023 18.127 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -18.718 11.685 18.641 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -17.295 11.379 17.381 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -17.422 11.887 16.554 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -16.654 11.918 17.897 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -14.039 16.057 19.288 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -14.771 15.903 19.929 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -13.777 16.989 19.448 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -20.878 15.279 26.418 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -20.574 15.861 25.681 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -20.957 14.408 26.011 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -22.044 22.311 24.917 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -22.824 22.881 24.718 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -22.399 21.623 25.529 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -22.123 14.853 14.366 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -22.414 15.685 13.933 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -21.331 14.583 13.858 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -7.950 17.761 13.651 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -8.077 18.728 13.778 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -7.218 17.699 13.026 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -23.500 14.100 18.912 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -24.051 13.338 19.119 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -23.072 13.860 18.049 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -8.725 12.385 24.474 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -9.300 12.968 25.002 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -9.232 11.546 24.411 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -13.782 14.198 26.240 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -13.371 14.949 25.763 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -14.574 14.594 26.671 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -22.989 16.977 27.067 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -23.566 16.618 27.747 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -22.246 16.340 27.019 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -17.607 -4.405 21.631 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -18.044 -5.261 21.599 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -17.185 -4.384 22.494 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -17.993 6.441 14.826 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -18.075 5.561 15.233 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -17.596 6.257 13.949 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -15.274 1.349 11.389 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -15.728 0.481 11.473 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -15.559 1.845 12.185 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -12.656 8.915 21.396 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -11.854 8.707 21.904 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -12.593 8.336 20.607 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -16.982 5.413 12.484 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -16.126 5.573 12.039 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -17.614 5.339 11.763 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -12.140 4.831 20.315 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -11.587 4.209 19.833 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -11.899 4.689 21.252 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -19.871 9.778 11.347 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -20.536 9.086 11.388 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -19.251 9.474 10.642 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -14.209 10.713 20.005 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -13.415 11.009 19.512 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -13.852 10.094 20.676 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -20.194 0.318 20.348 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -19.680 0.335 21.162 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -21.104 0.427 20.639 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -14.839 8.314 18.662 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -14.840 9.221 19.025 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -15.767 8.066 18.641 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -9.864 14.098 20.091 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -9.702 15.054 19.923 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -10.842 14.032 20.169 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -13.146 10.148 24.012 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -13.476 9.792 23.171 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -13.850 10.774 24.303 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -20.982 14.128 20.213 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -21.857 14.217 19.789 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -20.571 13.364 19.758 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -16.007 15.648 21.080 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -16.581 16.310 21.481 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -16.531 14.826 21.114 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -11.252 13.228 25.518 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -11.372 12.319 25.214 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -12.060 13.414 26.039 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -10.659 17.296 13.070 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -9.726 17.444 13.328 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -10.628 16.483 12.516 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -9.758 10.776 20.648 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -10.597 10.940 20.177 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -9.918 9.959 21.145 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -20.177 11.661 16.160 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -19.413 12.188 15.854 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -19.946 10.746 15.920 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -17.803 13.479 20.867 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -18.360 14.070 21.419 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -18.449 12.964 20.347 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -12.891 18.385 23.030 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -13.405 18.975 23.624 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -12.999 17.499 23.423 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -6.795 21.521 15.659 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -6.011 22.061 15.540 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -6.879 21.435 16.638 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -22.581 17.973 24.568 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -21.717 17.558 24.366 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -22.854 17.556 25.413 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -17.924 15.486 11.457 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -17.486 14.606 11.540 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -17.906 15.671 10.509 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -17.837 12.816 15.081 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -17.440 13.586 14.653 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -17.945 12.163 14.353 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -12.345 7.295 19.174 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -13.247 7.540 18.861 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -12.455 6.389 19.544 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -15.950 2.707 13.740 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -16.836 3.062 13.950 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -15.354 3.450 13.911 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -20.010 14.111 12.701 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -19.507 13.291 12.810 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -19.361 14.743 12.328 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -23.091 18.797 19.640 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -23.444 17.971 19.241 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -23.313 18.711 20.601 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -17.096 12.916 11.754 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -17.404 12.062 12.120 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -16.630 12.669 10.925 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -15.761 12.852 19.076 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -15.221 12.137 19.474 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -16.380 13.110 19.789 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -18.338 10.883 13.272 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -18.380 10.196 13.979 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -18.915 10.522 12.556 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -18.119 8.896 9.515 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -17.218 8.586 9.726 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -18.035 9.289 8.622 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -8.727 11.088 12.461 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -9.038 11.837 11.937 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -9.460 10.920 13.100 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -14.883 12.046 24.921 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -14.448 12.771 25.423 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -15.822 12.235 25.002 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -13.238 18.257 12.639 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -13.537 17.660 13.360 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -12.269 18.103 12.596 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -26.396 14.611 11.483 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -25.685 14.349 12.122 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -27.143 14.054 11.722 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -25.050 18.687 16.996 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -25.012 19.374 17.685 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -24.900 17.851 17.484 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -24.502 16.628 18.843 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -24.066 15.747 18.767 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -25.138 16.513 19.559 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -9.288 16.722 19.538 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -9.911 17.487 19.462 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -8.537 17.080 20.026 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -10.825 18.924 19.600 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -11.790 18.769 19.642 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -10.739 19.899 19.608 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -10.374 17.964 24.198 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -9.622 18.410 23.800 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -11.139 18.272 23.682 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -7.703 8.521 12.696 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -8.065 9.408 12.507 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -7.473 8.163 11.815 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -8.512 6.589 26.135 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -9.384 7.053 26.082 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -8.511 6.183 27.010 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -7.264 8.928 25.355 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -7.641 8.075 25.655 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -7.094 9.412 26.170 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -9.979 8.357 22.282 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -9.695 7.605 22.846 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -9.811 8.036 21.358 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -10.777 8.061 25.896 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -10.601 8.868 25.371 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -11.710 8.130 26.127 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -18.745 17.878 20.776 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -19.436 18.519 20.490 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -18.100 17.881 20.032 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -16.053 15.479 27.151 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -16.963 15.241 27.435 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -15.937 16.377 27.469 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -12.060 15.894 24.860 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -11.344 16.564 24.827 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -11.588 15.045 24.957 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -24.008 24.021 24.101 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -24.880 23.619 24.158 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -24.122 24.748 23.448 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -20.443 21.162 23.051 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -19.962 21.948 22.708 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -20.875 21.487 23.872 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -13.493 18.592 20.196 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -13.955 19.455 20.109 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -13.407 18.463 21.160 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -14.389 21.201 20.369 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -15.260 21.528 20.677 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -13.767 21.481 21.065 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -20.576 19.751 19.957 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -20.710 20.401 20.666 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -21.469 19.364 19.816 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -7.756 0.524 17.661 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -7.743 -0.201 18.318 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -6.824 0.837 17.636 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -18.015 0.923 16.214 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -18.522 0.312 15.650 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -18.140 0.563 17.121 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -25.269 17.823 14.250 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -25.117 18.044 15.187 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -24.376 17.650 13.894 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -20.380 18.261 13.249 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -20.295 19.128 13.691 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -19.490 17.868 13.325 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -19.054 31.040 -32.585 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -18.699 31.075 -33.503 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -19.751 30.346 -32.628 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -22.523 31.056 -36.448 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -21.796 31.613 -36.123 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -22.341 30.963 -37.410 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -24.912 29.879 -37.223 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -24.237 30.468 -36.832 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -25.755 30.349 -37.083 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -23.004 28.849 -34.767 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -23.920 28.565 -34.908 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -22.869 29.562 -35.423 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -18.857 35.204 -30.565 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -18.644 34.901 -29.654 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -19.408 34.480 -30.935 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -20.431 33.254 -31.697 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -19.808 32.611 -32.102 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -21.220 32.704 -31.469 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -22.307 31.090 -39.199 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -23.098 31.195 -39.742 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -21.966 32.008 -39.090 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -17.718 37.555 -34.830 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -17.610 37.108 -33.952 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -16.844 37.906 -35.024 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -18.550 31.058 -35.266 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -19.240 31.733 -35.449 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -18.177 30.863 -36.127 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -17.984 31.518 -30.108 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -18.849 31.541 -29.686 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -18.183 31.313 -31.049 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -22.493 31.580 -31.257 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -22.817 31.302 -30.381 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -23.308 31.721 -31.782 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -18.417 34.356 -28.000 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -18.529 34.203 -27.035 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -17.569 33.904 -28.213 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -22.619 34.589 -36.210 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -22.188 35.462 -36.059 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -23.553 34.734 -35.934 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -20.742 28.925 -33.191 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -21.612 28.954 -33.649 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -20.262 28.228 -33.642 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -23.616 31.076 -28.758 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -23.629 31.716 -28.018 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -24.530 31.113 -29.126 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -20.330 33.063 -35.806 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -19.672 33.796 -35.866 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -21.195 33.523 -35.792 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -24.729 32.185 -32.807 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -25.707 32.190 -32.735 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -24.559 31.807 -33.675 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -21.655 35.333 -33.063 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -21.089 34.673 -32.601 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -22.501 34.879 -33.175 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -21.596 33.596 -38.543 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -20.694 33.861 -38.331 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -22.133 33.962 -37.808 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -21.110 34.621 -27.166 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -20.707 34.370 -26.321 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -20.388 34.509 -27.812 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -27.504 30.864 -27.653 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -28.102 31.601 -27.887 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -26.924 30.769 -28.437 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -16.228 32.762 -28.457 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -16.802 32.267 -29.089 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -15.383 32.308 -28.501 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -21.922 29.082 -28.055 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -22.564 29.748 -28.387 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -21.649 28.605 -28.842 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -25.441 37.533 -39.391 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -25.449 36.580 -39.634 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -26.063 37.947 -40.035 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -25.164 35.238 -35.503 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -25.722 34.436 -35.448 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -25.740 35.902 -35.940 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -24.565 29.541 -39.890 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -23.647 29.242 -39.933 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -24.752 29.598 -38.924 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -17.268 36.354 -32.466 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -17.977 35.975 -31.900 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -16.463 36.195 -31.967 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -21.056 37.884 -32.130 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -20.824 38.333 -32.963 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -21.309 36.982 -32.406 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -21.189 36.695 -35.376 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -20.865 37.603 -35.199 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -21.327 36.310 -34.481 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -18.924 35.373 -36.147 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -18.267 35.992 -35.786 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -19.771 35.855 -36.062 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -17.937 28.796 -18.435 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -17.102 28.604 -17.957 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -17.700 28.728 -19.365 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -21.105 33.100 -12.704 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -20.635 33.884 -13.074 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -20.422 32.410 -12.660 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -22.194 28.314 -20.200 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -22.376 29.172 -20.602 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -21.925 27.758 -20.940 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -17.390 30.117 -15.297 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -16.791 29.615 -15.888 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -18.283 29.935 -15.656 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -13.611 24.419 -14.054 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -13.994 25.232 -14.433 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -14.258 23.728 -14.276 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -15.690 28.455 -16.831 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -15.590 27.734 -16.163 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -14.801 28.565 -17.189 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -23.443 28.033 -14.522 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -23.165 27.272 -15.075 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -23.885 27.619 -13.745 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -9.984 26.993 -11.725 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -9.213 26.396 -11.854 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -9.577 27.868 -11.547 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -21.616 22.757 -11.860 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -21.485 23.608 -12.335 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -22.581 22.602 -11.913 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -22.220 26.215 -16.182 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -21.295 26.053 -15.890 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -22.521 25.356 -16.500 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -11.111 36.621 -14.299 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -10.371 36.760 -13.666 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -10.661 36.438 -15.150 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -12.473 21.744 -13.943 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -12.094 21.375 -13.116 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -12.415 22.709 -13.824 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -13.722 27.818 -12.864 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -14.267 28.632 -12.861 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -12.847 28.115 -12.589 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -22.287 28.677 -17.503 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -22.425 27.793 -17.107 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -22.339 28.517 -18.476 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -19.257 30.758 -12.761 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -19.974 30.241 -13.194 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -18.636 30.949 -13.480 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -19.811 29.296 -16.542 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -19.166 29.118 -17.266 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -20.686 29.147 -16.964 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -17.128 34.320 -12.087 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -16.950 33.523 -12.632 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -17.345 35.016 -12.743 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -23.901 35.157 -10.156 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -23.892 35.049 -11.133 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -23.300 35.892 -9.996 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -14.562 35.090 -11.441 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -13.934 34.926 -12.171 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -15.415 34.757 -11.778 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -20.276 34.962 -17.830 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -21.106 34.425 -17.772 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -19.576 34.305 -17.881 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -15.417 22.190 -11.056 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -14.462 22.126 -10.843 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -15.744 21.270 -10.968 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -11.741 24.824 -11.879 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -11.126 25.591 -11.857 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -12.273 24.968 -12.685 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -21.063 29.249 -14.083 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -20.593 29.179 -14.945 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -21.965 28.903 -14.273 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -21.144 25.165 -12.969 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -20.697 25.196 -13.836 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -21.089 26.088 -12.638 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -15.212 26.654 -14.820 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -14.683 27.051 -14.089 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -16.037 26.352 -14.385 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -17.574 25.752 -13.603 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -17.833 26.105 -12.729 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -17.379 24.802 -13.428 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -19.675 25.472 -15.355 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -19.242 25.004 -16.079 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -18.930 25.737 -14.765 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -12.711 34.587 -13.466 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -12.071 33.927 -13.145 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -12.151 35.344 -13.753 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -13.281 34.003 -9.292 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -12.867 33.224 -9.710 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -13.796 34.418 -10.012 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -22.894 31.028 -16.245 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -22.742 30.204 -16.761 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -22.270 30.967 -15.510 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -22.056 30.254 -25.562 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -22.740 30.849 -25.895 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -21.872 29.657 -26.319 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -17.664 36.662 -13.504 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -17.253 37.076 -12.711 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -18.248 37.368 -13.864 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -17.532 29.110 -11.251 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -18.220 29.731 -11.572 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -16.753 29.310 -11.811 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -24.359 22.593 -12.237 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -24.375 21.606 -12.190 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -24.932 22.802 -12.982 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -23.433 34.536 -12.742 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -22.603 34.000 -12.779 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -23.384 35.101 -13.530 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -18.762 33.598 -25.420 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -17.936 33.175 -25.165 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -19.452 33.098 -24.918 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -23.096 33.568 -23.904 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -22.953 34.522 -23.724 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -23.922 33.356 -23.420 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -17.065 23.140 -13.031 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -16.593 22.755 -12.261 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -16.584 22.776 -13.804 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -12.743 22.688 -10.600 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -12.268 21.858 -10.816 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -12.199 23.392 -11.026 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -23.427 32.762 -26.526 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -22.819 33.365 -26.996 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -23.328 33.018 -25.580 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -9.421 35.984 -16.400 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -9.310 35.927 -17.355 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -8.651 36.531 -16.099 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -20.747 32.241 -24.261 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -21.563 32.707 -23.986 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -21.074 31.400 -24.653 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -20.901 27.602 -11.811 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -21.536 27.893 -11.123 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -20.939 28.311 -12.488 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -19.188 21.466 -12.112 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -18.645 22.178 -12.492 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -20.083 21.858 -12.042 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -18.357 26.553 -11.046 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -18.092 27.500 -11.116 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -19.331 26.579 -11.096 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -17.033 19.922 -11.495 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -17.883 20.369 -11.712 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -17.162 19.601 -10.577 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -24.330 19.897 -12.332 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -24.962 19.268 -11.970 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -23.548 19.367 -12.524 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -17.240 19.391 -8.810 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -17.362 19.133 -7.870 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -16.265 19.423 -8.927 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -26.251 32.284 -25.673 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -25.374 32.392 -26.080 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -26.693 31.602 -26.234 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -22.418 37.095 -20.870 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -22.455 36.700 -21.766 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -23.348 37.092 -20.571 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -22.521 33.465 -17.476 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -23.217 33.960 -16.996 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -22.640 32.544 -17.175 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -7.408 37.276 -15.225 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -7.821 37.213 -14.343 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -6.618 37.841 -15.077 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -8.690 34.129 -14.441 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -8.974 34.701 -15.186 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -8.092 34.697 -13.921 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -10.286 33.058 -12.485 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -9.581 32.582 -12.016 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -9.814 33.521 -13.213 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -25.097 30.266 -14.628 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -24.624 29.408 -14.635 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -24.655 30.782 -15.331 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -11.871 31.953 -10.527 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -11.483 32.304 -11.352 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -11.135 31.503 -10.092 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -8.541 29.310 -11.271 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -8.763 30.123 -10.779 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -7.662 29.494 -11.642 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -15.627 29.824 -13.158 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -16.266 29.743 -13.898 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -15.456 30.784 -13.102 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -21.966 25.319 -9.943 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -21.515 25.213 -10.793 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -21.543 24.644 -9.363 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -24.538 27.327 -12.155 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -23.960 27.538 -11.393 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -24.962 26.487 -11.901 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -20.160 35.495 -13.636 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -20.599 36.299 -13.950 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -19.225 35.760 -13.543 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -23.264 37.118 -15.080 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -22.434 37.162 -15.620 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -23.337 38.011 -14.688 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -20.053 41.057 -12.767 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -20.498 40.935 -13.631 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -20.465 41.867 -12.402 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -15.263 34.819 -14.566 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -14.329 34.852 -14.270 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -15.588 35.723 -14.437 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -14.242 39.116 -11.745 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -14.165 40.051 -11.980 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -13.933 38.638 -12.550 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -13.516 38.008 -14.192 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -12.671 37.511 -14.160 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -13.511 38.427 -15.059 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -24.349 34.685 -15.750 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -23.900 35.537 -15.586 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -25.196 34.767 -15.276 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -16.358 32.408 -13.910 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -16.698 31.922 -14.680 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -15.931 33.208 -14.297 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -22.865 36.305 -23.504 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -22.085 36.787 -23.861 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -23.627 36.745 -23.927 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -20.686 22.996 -9.240 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -20.298 22.176 -8.875 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -20.975 22.744 -10.137 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -19.769 20.492 -8.355 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -18.817 20.334 -8.523 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -20.168 19.620 -8.439 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -20.957 37.465 -27.229 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -21.093 36.498 -27.292 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -20.439 37.687 -28.041 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -10.873 36.990 6.541 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -11.559 36.661 7.160 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -10.459 37.737 7.018 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -22.480 35.787 5.914 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -22.760 34.950 6.344 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -21.934 36.230 6.592 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -23.516 21.357 1.175 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -23.350 21.617 0.243 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -23.222 20.441 1.219 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -10.595 29.046 9.810 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -11.493 28.840 10.088 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -10.589 30.024 9.718 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -9.120 18.869 9.357 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -9.047 18.197 8.657 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -9.618 19.598 8.935 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -11.571 23.388 8.893 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -12.411 23.832 8.643 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -11.344 22.846 8.118 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -22.934 21.786 -1.511 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -22.377 22.279 -2.135 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -23.839 21.901 -1.864 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -26.712 20.073 0.555 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -26.383 19.790 -0.329 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -26.312 19.441 1.172 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -7.628 21.733 8.006 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -7.126 21.414 7.219 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -7.193 22.576 8.240 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -21.143 36.897 8.141 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -20.344 36.334 8.214 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -21.708 36.605 8.886 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -22.378 39.984 -0.056 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -23.249 39.991 0.381 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -22.457 39.281 -0.732 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -22.539 19.092 -2.350 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -22.403 18.574 -1.536 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -22.661 20.007 -2.033 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -23.212 22.187 -4.477 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -22.469 21.821 -4.999 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -23.574 22.905 -5.046 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -21.108 20.880 -5.852 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -20.289 20.718 -5.365 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -20.815 20.979 -6.780 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -15.826 25.893 18.187 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -16.478 26.242 18.810 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -16.335 25.240 17.652 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -13.338 26.588 17.272 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -14.248 26.400 17.608 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -12.802 25.879 17.641 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -22.621 27.682 19.472 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -21.754 28.106 19.642 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -22.999 28.201 18.730 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -24.955 24.667 17.506 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -24.731 25.413 16.907 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -24.213 24.038 17.392 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -10.633 21.655 20.074 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -11.118 21.641 20.926 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -9.689 21.726 20.335 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -18.757 26.825 18.860 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -19.276 27.524 19.310 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -18.419 27.260 18.053 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -19.213 23.462 22.175 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -19.427 23.907 21.329 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -19.667 24.012 22.856 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -16.048 27.359 13.282 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -16.097 28.180 13.812 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -16.539 26.695 13.823 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -6.445 19.419 21.528 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -5.882 18.930 22.135 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -6.099 19.182 20.636 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -12.238 21.051 22.288 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -12.144 20.084 22.282 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -12.729 21.233 23.112 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -16.217 24.060 12.705 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -15.916 24.825 12.203 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -16.640 24.448 13.496 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -13.444 26.897 13.903 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -14.299 27.048 13.443 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -13.332 27.693 14.464 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -19.621 29.513 17.226 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -19.788 30.249 16.583 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -18.844 29.041 16.850 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -21.426 28.198 15.567 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -20.790 28.470 16.255 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -20.923 28.298 14.727 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -11.360 25.216 14.221 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -12.084 25.824 13.953 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -10.743 25.225 13.452 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -13.921 24.614 8.171 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -13.497 24.981 7.365 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -14.452 25.339 8.509 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -5.462 33.728 7.372 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -6.189 33.212 6.964 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -5.135 33.147 8.087 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -15.638 37.684 15.742 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -15.834 37.429 16.646 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -15.239 38.576 15.824 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -21.254 33.811 15.110 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -22.190 34.105 15.142 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -20.748 34.618 15.240 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -16.259 35.615 14.015 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -16.464 36.060 13.166 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -16.035 36.352 14.624 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -23.328 21.399 22.202 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -22.907 21.792 21.404 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -22.626 21.422 22.873 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -16.447 20.524 23.482 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -17.238 19.958 23.596 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -16.648 21.055 22.682 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -16.227 21.472 11.864 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -16.147 22.411 12.165 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -17.160 21.264 11.991 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -19.967 24.514 19.727 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -20.876 24.836 19.919 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -19.499 25.310 19.375 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -20.230 28.944 19.790 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -20.062 29.269 18.869 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -19.996 29.690 20.349 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -13.955 20.609 24.469 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -14.873 20.611 24.093 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -14.061 20.988 25.348 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -12.664 21.761 18.221 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -11.851 21.797 18.760 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -13.380 21.654 18.875 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -18.133 22.743 18.734 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -18.812 23.355 19.081 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -17.761 23.220 17.954 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -19.661 28.628 13.462 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -18.984 28.120 13.002 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -19.442 29.563 13.257 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -24.642 26.948 15.986 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -24.757 27.380 15.115 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -24.147 27.611 16.519 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -16.787 33.841 10.356 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -16.538 34.064 9.436 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -17.440 33.108 10.257 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -7.279 29.867 10.542 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -7.525 28.949 10.307 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -7.597 29.968 11.461 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -7.848 35.061 7.804 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -6.884 34.943 7.683 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -8.034 34.627 8.662 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -11.078 31.998 19.510 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -11.234 31.862 20.450 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -10.211 32.417 19.470 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -20.039 31.356 15.318 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -19.645 31.325 14.423 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -20.528 32.210 15.333 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -17.594 27.904 16.445 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -17.504 27.042 15.981 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -16.900 28.465 16.040 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -14.506 40.125 16.319 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -14.961 40.954 16.486 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -13.572 40.356 16.345 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -10.607 31.851 9.742 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -9.767 32.237 9.424 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -11.203 32.624 9.843 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -5.037 39.290 5.485 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -4.538 40.064 5.178 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -4.357 38.601 5.603 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -22.569 25.143 20.361 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -22.615 26.008 19.887 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -23.149 25.272 21.137 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -10.244 28.165 14.639 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -10.347 27.200 14.613 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -11.045 28.476 15.091 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -17.009 22.038 21.217 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -17.259 22.116 20.271 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -17.661 22.608 21.679 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -17.659 32.043 7.322 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -18.316 32.163 6.605 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -17.276 32.945 7.458 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -18.842 31.233 12.809 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -18.129 31.880 13.009 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -18.943 31.286 11.841 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -13.063 28.855 15.812 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -13.130 28.098 16.447 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -12.804 29.622 16.377 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -23.832 34.753 15.086 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -24.025 34.778 14.124 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -24.629 34.387 15.477 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -12.298 34.043 10.305 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -11.985 34.611 11.024 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -13.180 33.761 10.591 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -20.937 24.654 23.941 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -21.179 23.852 24.446 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -21.747 25.176 23.927 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -18.780 19.005 23.347 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -18.732 18.652 22.438 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -19.427 19.747 23.284 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -18.644 15.213 28.069 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -19.435 15.300 27.500 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -18.998 15.005 28.938 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -16.783 33.072 13.043 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -16.607 33.914 13.521 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -16.715 33.317 12.100 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -9.080 32.089 12.023 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -9.778 31.799 11.413 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -8.868 31.288 12.543 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -12.478 31.060 17.331 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -11.923 31.255 18.117 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -12.917 31.894 17.141 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -8.412 29.697 13.178 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -7.750 29.777 13.874 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -9.113 29.131 13.578 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -8.304 27.573 9.496 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -8.354 27.341 8.553 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -9.170 28.006 9.681 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -15.729 29.447 15.033 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -15.889 30.365 14.774 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -14.791 29.433 15.312 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -25.828 25.403 20.062 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -25.394 25.246 19.199 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -26.615 24.826 20.040 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -9.128 23.765 10.113 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -8.936 22.839 10.383 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -9.991 23.704 9.648 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -7.980 21.570 20.880 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -7.575 22.283 21.385 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -7.510 20.759 21.187 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -11.622 21.478 10.868 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -10.672 21.277 11.009 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -11.615 22.182 10.185 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -22.158 22.479 20.002 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -22.512 23.392 20.101 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -21.282 22.611 19.613 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -8.904 21.139 11.080 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -8.683 20.371 10.511 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -8.572 20.885 11.965 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -23.052 20.142 26.189 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -23.230 19.606 26.968 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -22.888 19.487 25.481 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -5.655 18.842 18.993 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -4.808 18.392 18.749 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -6.303 18.456 18.392 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -22.278 35.851 10.625 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -22.081 34.890 10.700 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -23.100 35.959 11.129 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -17.051 36.389 11.515 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -17.025 35.493 11.123 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -17.999 36.619 11.528 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -18.502 31.758 9.963 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -18.233 31.666 9.027 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -19.450 31.462 9.972 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -23.414 48.501 -35.121 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -23.518 48.891 -34.220 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -23.258 49.264 -35.692 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -24.470 40.406 -38.998 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -24.863 39.658 -39.468 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -24.003 39.995 -38.246 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -25.288 46.498 -35.651 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -25.795 46.395 -34.820 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -24.669 47.231 -35.464 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -23.561 44.554 -36.524 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -24.246 45.201 -36.240 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -24.053 43.924 -37.097 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -23.731 49.534 -32.597 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -23.240 48.802 -32.165 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -24.466 49.727 -31.978 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -25.809 50.332 -30.872 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -26.758 50.102 -30.983 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -25.706 50.464 -29.913 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -24.668 52.567 -31.991 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -24.003 52.145 -32.546 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -25.167 51.818 -31.606 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -21.564 42.919 -35.578 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -21.708 41.960 -35.779 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -22.316 43.372 -36.017 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -21.659 46.390 -35.537 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -22.250 45.719 -35.943 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -22.240 47.166 -35.399 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -24.177 45.385 -32.338 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -23.591 44.668 -32.669 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -23.563 46.126 -32.150 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -27.148 38.507 -41.279 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -26.973 39.121 -41.996 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -27.989 38.072 -41.537 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -19.625 49.010 -26.812 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -19.223 49.708 -27.331 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -20.567 49.270 -26.745 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -19.480 44.667 -35.599 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -20.128 43.938 -35.730 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -19.967 45.465 -35.875 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -25.381 45.506 -29.851 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -25.032 45.378 -30.753 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -24.715 45.075 -29.273 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -25.283 54.622 -30.280 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -25.003 53.923 -30.915 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -24.716 55.393 -30.510 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -21.930 40.295 -36.055 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -22.531 39.620 -36.428 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -21.270 39.778 -35.555 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -26.013 55.294 -27.705 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -25.647 54.624 -27.100 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -25.618 55.072 -28.576 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -26.788 47.398 -28.484 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -26.338 46.704 -29.021 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -27.745 47.191 -28.581 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -22.296 47.314 -31.658 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -21.946 47.349 -30.759 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -21.567 46.909 -32.185 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -20.416 45.960 -33.087 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -19.595 45.447 -33.190 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -20.685 46.171 -34.009 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -18.579 43.596 -33.283 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -18.822 43.878 -34.194 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -17.620 43.529 -33.304 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -22.086 43.754 -33.012 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -21.406 44.457 -32.991 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -21.924 43.292 -33.866 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -21.913 42.791 -30.479 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -22.437 43.484 -30.048 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -21.990 42.992 -31.436 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -20.053 38.991 -34.465 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -19.153 38.621 -34.615 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -19.893 39.800 -33.912 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -19.778 37.687 -29.710 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -19.297 36.888 -29.995 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -20.297 37.945 -30.503 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -20.985 37.981 -24.529 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -21.034 37.895 -25.511 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -20.042 38.088 -24.350 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -25.049 42.911 -38.125 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -24.758 42.031 -38.469 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -25.459 43.335 -38.885 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -26.648 45.954 -33.300 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -25.783 45.751 -32.872 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -27.194 46.326 -32.572 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -25.692 51.443 -28.103 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -25.339 50.584 -27.783 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -25.527 52.060 -27.356 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -23.780 38.473 -37.102 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -24.063 37.975 -37.889 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -24.366 38.160 -36.401 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -22.955 39.366 -27.574 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -23.744 38.822 -27.746 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -22.236 38.713 -27.443 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -24.460 51.757 -16.452 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -24.611 52.129 -15.567 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -23.591 51.318 -16.384 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -7.985 39.144 -11.937 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -7.952 39.635 -11.094 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -7.686 39.793 -12.602 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -19.706 40.289 -19.275 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -19.326 39.397 -19.251 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -20.649 40.137 -19.482 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -20.573 42.969 -18.927 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -20.035 42.153 -19.030 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -20.447 43.445 -19.773 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -5.900 43.689 -8.505 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -5.147 43.457 -7.921 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -5.638 43.340 -9.381 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -24.234 42.302 -15.784 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -24.327 43.262 -15.911 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -23.618 42.025 -16.498 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -20.031 50.018 -14.754 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -19.629 50.896 -14.907 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -20.788 49.994 -15.367 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -24.079 45.114 -16.191 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -23.406 45.076 -15.478 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -23.548 45.085 -17.023 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -18.492 53.347 -12.650 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -19.320 53.172 -12.144 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -17.876 53.667 -11.988 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -8.712 36.723 -12.874 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -8.477 37.580 -12.437 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -8.129 36.064 -12.437 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -7.684 43.947 -13.684 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -7.913 43.817 -12.743 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -7.467 44.899 -13.747 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -10.815 44.421 -8.226 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -11.110 45.037 -8.930 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -9.840 44.582 -8.163 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -22.466 45.099 -18.376 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -22.471 45.569 -19.232 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -21.831 44.367 -18.508 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -22.028 50.770 -19.547 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -21.890 50.192 -20.327 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -21.298 51.432 -19.603 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -22.098 49.990 -16.852 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -22.125 49.051 -17.054 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -22.040 50.422 -17.733 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -16.286 46.781 -11.284 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -16.918 47.202 -11.888 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -16.694 46.881 -10.405 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -20.605 52.778 -11.021 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -21.439 53.108 -10.629 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -20.615 51.823 -10.831 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -22.300 46.323 -20.996 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -22.829 46.194 -21.814 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -21.545 45.701 -21.100 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -26.250 52.145 -14.202 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -26.856 52.668 -14.742 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -26.681 52.114 -13.319 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -23.515 52.868 -20.697 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -23.491 53.518 -19.968 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -23.165 52.050 -20.295 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -10.447 41.747 -8.817 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -10.372 42.679 -8.527 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -9.517 41.477 -9.016 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -25.282 49.085 -11.510 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -25.553 48.147 -11.460 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -25.725 49.505 -10.741 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -21.510 40.545 -15.098 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -21.620 40.885 -16.009 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -22.408 40.258 -14.844 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -16.591 37.839 -11.281 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -17.224 38.581 -11.114 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -15.743 38.291 -11.488 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -15.499 44.399 -8.531 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -14.986 43.702 -8.070 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -14.828 45.082 -8.757 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -22.104 45.144 -14.240 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -21.823 45.804 -13.559 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -21.290 44.937 -14.718 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -21.171 42.406 -22.947 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -21.540 41.502 -22.860 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -21.246 42.603 -23.910 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -14.534 37.565 -6.951 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -14.284 38.355 -7.471 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -13.967 37.607 -6.162 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -19.773 41.097 -32.758 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -20.235 41.120 -31.909 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -19.405 41.998 -32.855 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -20.399 44.378 -21.323 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -19.513 44.509 -21.676 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -20.781 43.660 -21.896 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -12.183 43.439 -13.617 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -12.988 43.949 -13.497 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -11.892 43.231 -12.704 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -21.510 43.041 -25.546 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -21.851 43.924 -25.730 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -21.582 42.572 -26.406 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -27.463 51.915 -11.754 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -27.117 51.214 -11.162 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -28.372 52.067 -11.430 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -22.309 39.771 -19.980 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -22.402 38.802 -20.053 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -22.254 40.071 -20.910 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -20.222 52.786 -19.331 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -20.518 52.967 -18.410 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -19.672 53.541 -19.554 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -24.337 45.122 -25.867 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -24.014 45.356 -24.977 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -25.245 45.479 -25.893 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -24.177 39.779 -14.723 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -24.980 39.367 -15.081 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -24.285 40.737 -14.930 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -21.503 57.131 -14.038 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -20.623 57.147 -13.650 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -21.984 57.819 -13.567 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -23.560 46.376 -23.458 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -24.215 47.098 -23.376 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -22.872 46.738 -24.068 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -15.349 44.121 -11.267 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -15.575 44.121 -10.319 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -15.767 44.932 -11.610 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -18.986 48.481 -12.654 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -19.273 48.968 -13.459 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -19.207 49.084 -11.920 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -22.253 39.900 -22.797 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -23.214 39.724 -22.761 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -21.913 39.252 -23.447 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -23.037 50.431 -24.037 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -23.317 51.342 -23.811 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -22.742 50.055 -23.190 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -23.499 44.240 -28.324 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -23.749 44.634 -27.456 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -23.069 43.392 -28.085 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -21.040 37.289 -16.558 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -20.705 36.400 -16.798 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -20.724 37.860 -17.278 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -23.782 53.044 -23.428 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -23.799 52.948 -22.444 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -23.300 53.865 -23.573 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -24.062 55.487 -8.009 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -23.476 54.780 -8.333 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -24.516 55.798 -8.804 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -21.612 47.256 -25.157 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -20.710 47.091 -25.458 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -21.886 48.051 -25.657 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -21.813 49.013 -21.732 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -22.044 48.152 -21.323 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -21.129 48.791 -22.377 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -22.208 48.744 -10.841 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -22.995 49.270 -10.627 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -21.463 49.328 -10.616 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -18.192 40.018 -10.867 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -18.829 40.416 -11.494 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -18.248 40.592 -10.072 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -21.388 43.416 -12.146 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -21.792 43.842 -12.927 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -21.919 43.728 -11.405 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -21.093 46.781 -12.325 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -20.301 47.308 -12.576 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -21.606 47.390 -11.737 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -13.755 42.034 -10.362 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -12.884 42.308 -10.712 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -14.383 42.677 -10.754 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -13.966 46.451 -9.546 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -12.997 46.452 -9.717 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -14.364 46.592 -10.425 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -19.251 44.982 -11.135 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -19.695 44.221 -11.547 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -19.807 45.743 -11.385 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -19.669 38.503 -14.021 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -20.216 38.835 -14.754 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -19.616 39.257 -13.405 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -14.188 39.650 -8.943 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -14.237 39.171 -9.797 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -14.063 40.589 -9.211 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -25.000 48.968 -27.163 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -25.104 48.600 -26.277 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -25.553 48.378 -27.734 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -27.634 53.039 -20.588 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -27.023 53.320 -21.278 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -27.062 52.943 -19.787 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -25.839 52.922 -18.521 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -25.135 53.583 -18.649 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -25.499 52.361 -17.793 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -11.226 46.565 -9.902 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -10.927 47.319 -9.380 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -10.618 46.561 -10.681 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -8.447 42.545 -11.412 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -8.172 42.016 -10.626 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -8.225 41.978 -12.168 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -7.393 41.151 -13.710 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -7.095 42.070 -13.861 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -8.287 41.123 -14.123 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -11.194 42.743 -11.190 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -10.274 42.883 -11.501 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -11.081 42.287 -10.329 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -22.410 41.410 -17.639 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -22.564 40.773 -18.368 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -21.744 42.032 -18.006 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -23.170 53.204 -10.020 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -24.097 53.411 -10.271 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -23.213 52.276 -9.696 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -23.787 54.255 -12.862 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -24.614 54.259 -12.353 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -23.159 53.800 -12.287 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -21.110 53.329 -16.790 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -20.387 53.021 -16.203 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -21.645 53.925 -16.218 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -18.936 52.532 -15.211 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -18.033 52.480 -15.540 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -18.840 52.895 -14.297 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -20.120 37.402 -19.252 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -20.056 36.521 -18.835 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -20.819 37.294 -19.928 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -25.578 38.368 -27.849 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -25.657 38.921 -27.046 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -26.133 37.572 -27.652 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -25.470 53.076 -25.819 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -26.303 53.343 -25.370 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -24.829 52.975 -25.089 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -22.152 41.904 -27.916 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -21.862 41.989 -28.850 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -22.382 40.951 -27.823 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -22.314 49.532 -26.515 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -22.563 49.993 -25.679 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -23.168 49.373 -26.963 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -18.294 44.415 -3.240 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -17.945 44.037 -2.409 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -19.027 44.969 -2.959 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -13.543 46.648 -0.331 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -12.566 46.520 -0.370 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -13.693 47.463 -0.825 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -23.312 46.682 3.262 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -22.701 46.348 2.558 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -23.289 45.977 3.945 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -25.822 48.965 0.773 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -26.435 49.686 0.987 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -25.839 48.920 -0.208 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -11.560 41.882 0.440 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -12.267 41.662 -0.192 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -11.825 42.750 0.806 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -19.290 40.378 -2.859 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -19.621 40.542 -1.946 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -18.740 41.157 -3.052 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -21.774 45.227 1.617 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -20.835 45.243 1.865 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -22.042 44.298 1.758 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -17.127 42.971 -1.122 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -16.355 43.438 -0.729 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -17.555 42.542 -0.367 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -7.279 39.609 2.328 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -7.800 40.226 1.777 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -6.549 40.152 2.668 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -22.283 42.590 2.422 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -21.445 42.231 2.078 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -22.234 42.423 3.386 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -19.975 41.176 -0.369 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -20.876 40.786 -0.266 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -19.795 41.585 0.497 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -25.777 51.590 -7.473 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -25.934 52.509 -7.146 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -25.665 51.071 -6.668 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -11.303 44.952 -2.795 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -12.045 44.330 -2.637 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -11.048 44.791 -3.728 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -13.855 42.542 -7.321 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -13.633 43.043 -6.494 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -13.065 42.631 -7.874 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -10.739 44.742 -5.459 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -9.785 44.970 -5.359 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -10.866 44.674 -6.429 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -13.532 47.123 4.265 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -13.265 46.431 4.907 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -13.890 46.616 3.510 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -17.145 41.945 -3.670 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -17.429 42.812 -4.024 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -16.918 42.137 -2.734 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -19.345 44.731 3.138 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -19.429 45.708 3.263 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -18.647 44.470 3.776 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -13.335 43.861 -5.076 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -12.447 44.272 -5.106 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -13.504 43.721 -4.124 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -20.252 45.898 -7.592 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -20.706 45.312 -6.986 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -19.547 45.337 -7.985 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -12.792 49.431 7.719 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -12.819 50.340 8.025 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -12.887 49.504 6.739 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -10.945 43.203 5.842 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -10.340 42.910 5.139 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -11.406 42.388 6.118 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -16.523 47.125 -8.456 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -15.574 47.170 -8.680 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -16.592 46.350 -7.877 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -19.448 42.220 2.103 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -19.486 43.153 2.423 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -18.487 42.008 2.101 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -15.941 40.808 -7.034 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -15.278 41.530 -6.967 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -15.617 40.262 -7.773 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -13.452 43.299 -2.313 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -14.021 43.683 -1.614 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -13.478 42.335 -2.136 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -12.921 45.082 5.954 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -12.137 44.486 5.911 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -12.764 45.627 6.760 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -24.193 45.721 7.334 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -23.808 45.244 6.564 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -23.549 45.594 8.039 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -14.092 45.481 2.142 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -13.961 46.066 1.370 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -13.242 44.992 2.216 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -18.273 41.601 -8.602 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -18.410 42.570 -8.592 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -17.552 41.455 -7.967 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -14.929 44.269 -0.181 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -14.571 45.153 -0.416 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -14.871 44.246 0.793 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -20.566 49.269 1.748 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -21.551 49.240 1.782 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -20.374 49.930 1.081 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -15.535 44.648 6.507 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -15.655 45.366 7.140 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -14.611 44.774 6.176 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -8.120 45.527 -5.264 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -7.440 45.153 -4.660 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -8.012 46.495 -5.172 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -11.685 44.369 1.653 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -11.451 44.981 0.920 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -10.864 44.319 2.185 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -21.887 42.309 5.211 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -20.960 42.312 5.537 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -22.280 41.503 5.620 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -10.217 40.015 5.357 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -9.848 39.696 6.211 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -11.135 40.287 5.582 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -9.027 44.354 2.302 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -8.636 43.730 1.674 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -8.921 43.920 3.163 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -23.681 50.698 -8.980 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -23.626 49.832 -8.535 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -24.431 51.142 -8.535 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -25.969 54.102 -6.429 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -25.977 54.410 -5.505 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -25.326 54.688 -6.870 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -19.735 50.108 -10.397 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -19.004 50.706 -10.204 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -19.597 49.350 -9.768 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -19.130 48.085 -8.781 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -19.677 47.399 -8.338 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -18.211 47.817 -8.585 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -17.337 43.651 4.670 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -16.742 44.098 5.315 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -16.733 43.291 4.003 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -18.252 44.381 -8.680 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -18.463 44.631 -9.612 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -17.272 44.388 -8.645 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -7.461 46.879 -9.415 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -7.802 46.109 -8.912 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -7.031 47.438 -8.727 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -23.421 44.554 5.007 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -24.211 44.140 4.630 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -22.760 43.822 5.046 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -19.584 47.392 3.460 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -19.951 47.971 2.752 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -19.234 48.009 4.108 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -12.912 46.735 8.114 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -12.506 46.690 8.982 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -12.916 47.698 7.902 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -19.059 38.754 8.871 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -19.228 38.445 9.781 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -19.760 38.329 8.344 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -19.223 42.112 6.044 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -18.701 41.774 6.801 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -18.606 42.721 5.582 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -13.227 38.694 8.148 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -13.014 37.746 8.312 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -14.133 38.675 7.810 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -18.681 35.857 8.759 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -18.035 35.212 8.389 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -18.199 36.700 8.754 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -7.697 48.225 -4.685 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -7.278 48.995 -4.288 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -8.340 47.920 -3.999 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -6.378 47.903 -7.124 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -5.578 47.490 -6.776 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -6.903 48.120 -6.330 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -8.213 44.798 -7.853 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -7.384 44.314 -8.100 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -8.083 45.022 -6.904 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -10.873 45.978 -0.353 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -10.929 45.558 -1.244 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -9.919 46.058 -0.191 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -23.266 49.074 1.821 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -24.149 49.118 1.406 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -23.324 48.312 2.426 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -9.271 42.050 3.868 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -9.661 41.248 4.287 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -9.252 41.836 2.911 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -13.072 49.653 5.053 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -12.643 50.001 4.271 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -13.328 48.733 4.798 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -9.503 38.988 7.801 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -10.093 39.304 8.528 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -8.647 38.866 8.229 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -24.747 42.406 0.936 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -24.825 41.438 0.839 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -23.896 42.530 1.405 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -11.214 39.699 9.746 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -11.544 40.366 10.353 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -12.016 39.377 9.282 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -25.653 40.059 6.633 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -25.973 40.111 5.705 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -24.679 40.098 6.553 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -25.660 54.940 -3.637 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -25.222 55.589 -4.236 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -25.266 55.115 -2.775 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -19.529 40.213 4.031 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -19.779 40.808 3.303 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -19.506 40.791 4.815 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -19.747 36.924 11.010 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -19.463 36.326 10.288 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -20.683 36.689 11.157 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -12.654 36.021 8.332 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -12.571 35.282 8.964 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -13.463 35.791 7.793 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -15.102 41.924 6.811 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -15.213 42.896 6.784 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -15.982 41.590 7.057 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -17.554 40.957 8.085 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -17.027 40.992 8.891 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -18.151 40.186 8.225 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -12.559 40.907 6.475 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -13.442 41.343 6.467 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -12.677 40.148 7.078 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -22.853 40.039 6.390 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -22.441 39.553 7.114 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -22.972 39.359 5.680 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -0.747 -20.429 4.796 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -1.244 -21.168 4.430 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -0.437 -19.945 4.023 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -0.370 -19.813 7.425 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -0.482 -20.169 6.514 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 0.080 -18.944 7.285 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 3.147 -24.468 10.342 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 3.189 -24.363 9.364 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 2.746 -25.355 10.468 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -3.099 -24.276 12.383 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -3.521 -24.606 11.582 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -2.733 -25.083 12.812 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 3.242 -24.295 7.591 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 3.276 -24.885 6.831 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 3.165 -23.415 7.205 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 2.167 -27.057 10.611 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 2.603 -27.608 9.953 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 1.233 -27.380 10.613 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -4.356 -19.809 9.737 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -3.516 -20.324 9.742 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -4.639 -19.808 10.679 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -1.462 -19.481 13.538 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -2.330 -19.050 13.710 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -1.182 -19.108 12.674 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 9.598 -23.169 10.575 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 9.288 -23.250 9.669 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 9.829 -22.219 10.664 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -2.073 -26.769 16.370 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -1.476 -26.558 17.121 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -2.298 -27.699 16.505 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 0.247 -24.924 14.050 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -0.499 -25.517 13.817 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 1.050 -25.435 13.791 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -1.078 -29.225 17.938 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -0.356 -29.827 18.215 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -1.364 -29.581 17.074 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 5.238 -23.643 12.010 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 5.627 -24.486 12.277 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 4.594 -23.890 11.309 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 4.264 -31.405 12.730 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 4.588 -32.215 12.324 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 5.043 -31.052 13.215 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 9.871 -25.256 12.294 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 9.693 -24.503 11.681 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 10.809 -25.434 12.183 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -1.031 -22.642 13.323 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -1.723 -23.021 12.745 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -0.506 -23.421 13.606 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 5.445 -18.413 11.982 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 6.195 -19.045 11.976 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 5.567 -17.893 11.178 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 6.659 -15.463 10.885 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 6.641 -14.474 10.917 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 7.563 -15.693 11.183 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 1.541 -22.273 19.168 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 2.114 -23.030 18.927 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 0.759 -22.689 19.583 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -2.727 -18.605 20.709 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -1.874 -18.874 21.114 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -2.518 -17.766 20.240 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 5.775 -22.859 21.381 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 6.054 -22.998 20.467 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 5.364 -23.725 21.638 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 8.326 -30.549 17.986 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 7.708 -29.795 17.887 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 8.755 -30.394 18.851 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 1.492 -33.971 16.002 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 2.286 -33.622 16.471 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 1.636 -34.921 15.968 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 2.061 -27.065 18.931 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 2.384 -26.163 19.095 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 1.127 -26.939 18.675 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -1.952 -21.690 21.090 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -2.756 -21.645 20.563 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -1.458 -22.451 20.710 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 1.323 -27.567 24.456 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 0.904 -28.384 24.753 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 0.580 -26.930 24.375 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -5.202 -20.023 12.346 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -6.115 -20.330 12.369 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -4.711 -20.684 12.897 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 9.907 -25.276 20.633 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 10.440 -26.070 20.708 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 9.573 -25.122 21.545 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 1.719 -30.481 13.031 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 2.674 -30.732 13.071 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 1.462 -30.683 12.124 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 2.627 -24.487 17.968 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 1.810 -24.310 17.443 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 3.050 -25.219 17.506 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 0.086 -26.000 21.312 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 1.023 -26.278 21.421 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -0.250 -25.937 22.225 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 0.407 -23.879 16.544 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 0.343 -24.290 15.653 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -0.512 -23.917 16.890 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 10.181 -20.501 10.520 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 9.989 -19.563 10.285 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 11.136 -20.607 10.306 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -4.184 -22.297 18.352 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -4.321 -21.379 18.667 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -5.071 -22.669 18.317 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 4.639 -21.042 23.105 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 5.218 -21.141 23.885 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 4.939 -21.751 22.492 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 7.313 -20.090 15.415 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 7.404 -20.787 14.735 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 6.543 -20.374 15.944 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 8.015 -27.729 13.138 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 8.593 -27.254 12.526 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 8.589 -28.436 13.511 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -0.678 -26.686 18.755 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -0.588 -26.576 19.725 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -0.901 -27.640 18.639 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 3.587 -32.832 17.305 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 4.184 -33.121 18.000 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 4.038 -32.046 16.914 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 1.019 -31.023 18.170 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 1.052 -31.028 17.187 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 1.186 -31.944 18.415 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 4.274 -29.809 21.968 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 3.470 -29.775 21.401 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 4.933 -30.234 21.412 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -0.555 -28.851 13.400 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 0.339 -29.255 13.411 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -1.012 -29.266 14.161 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -0.288 -28.215 10.748 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -0.473 -28.418 11.690 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -1.150 -28.260 10.322 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 8.080 -17.531 26.558 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 8.786 -17.769 27.190 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 8.090 -18.253 25.914 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 2.255 -29.436 20.193 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 1.837 -30.071 19.578 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 2.232 -28.581 19.702 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 8.933 -25.054 23.199 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 9.267 -25.008 24.102 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 8.160 -25.667 23.259 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -0.667 -25.683 24.035 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -1.591 -25.679 24.317 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -0.373 -24.769 24.166 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 5.144 -30.712 16.451 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 5.574 -29.963 16.905 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 5.546 -30.710 15.560 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -0.678 -23.763 19.883 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -1.123 -24.093 19.073 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -0.405 -24.580 20.356 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 4.865 -25.336 21.938 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 5.487 -25.919 22.405 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 4.019 -25.826 21.954 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 14.341 -21.765 19.284 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 14.575 -22.231 20.096 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 14.825 -22.233 18.593 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 2.548 -27.013 22.055 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 2.666 -27.865 21.605 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 2.270 -27.256 22.962 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -1.696 -30.280 15.481 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -0.846 -30.787 15.502 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -2.373 -30.957 15.365 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 2.004 -20.266 22.993 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 2.177 -19.328 23.202 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 2.882 -20.692 23.062 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 5.120 -28.766 24.321 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 4.788 -29.116 23.458 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 5.119 -29.535 24.903 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 7.215 -22.295 13.444 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 7.634 -23.116 13.767 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 6.475 -22.614 12.882 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 6.525 -20.912 25.134 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 6.247 -21.542 25.833 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 7.116 -21.448 24.550 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -4.477 -18.547 22.809 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -3.947 -17.992 23.406 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -3.893 -18.683 22.033 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -2.137 -24.018 17.498 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -2.578 -24.802 17.129 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -2.875 -23.413 17.737 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 0.716 -31.433 15.451 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 1.195 -31.159 14.640 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 0.930 -32.393 15.545 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 9.560 -30.016 20.470 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 10.441 -30.347 20.670 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 9.317 -29.499 21.244 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -3.781 -21.885 13.712 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -2.845 -21.663 13.854 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -3.754 -22.780 13.318 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 2.626 -19.035 12.504 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 3.578 -18.815 12.503 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 2.354 -18.915 11.569 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 6.793 -26.652 23.662 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 6.514 -26.011 24.359 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 6.344 -27.486 23.913 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 7.726 -20.075 11.910 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 8.492 -20.271 11.334 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 7.579 -20.913 12.403 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 2.627 -22.611 12.369 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 3.590 -22.619 12.504 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 2.487 -23.247 11.640 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 3.762 -26.578 25.347 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 2.844 -26.837 25.150 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 4.294 -27.336 25.036 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 2.374 -26.497 13.305 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 2.352 -26.689 12.343 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 2.907 -27.209 13.675 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 6.572 -30.638 14.067 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 7.036 -29.854 13.728 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 7.273 -31.153 14.522 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -1.967 -26.470 13.631 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -1.526 -27.322 13.433 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -2.144 -26.513 14.599 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -2.559 -17.748 16.696 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -3.466 -18.053 16.489 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -1.994 -18.295 16.136 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -4.935 -19.173 16.504 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -4.849 -19.981 15.981 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -4.840 -19.475 17.434 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 13.196 -22.453 29.506 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 13.727 -22.794 28.779 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 13.542 -22.900 30.286 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 11.290 -20.475 29.605 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 11.950 -21.191 29.468 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 11.130 -20.481 30.553 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 7.860 -25.076 14.108 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 7.560 -25.999 13.996 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 8.658 -25.020 13.537 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 7.429 -25.989 16.872 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 7.712 -25.317 17.531 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 7.650 -25.588 16.014 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 8.304 -24.137 18.727 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 8.779 -23.306 18.676 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 8.795 -24.653 19.408 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 7.704 -22.543 23.318 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 7.053 -22.589 22.589 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 8.186 -23.389 23.257 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 8.584 -31.820 15.644 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 8.474 -31.372 16.522 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 8.856 -32.716 15.869 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 6.481 -28.464 17.680 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 5.849 -28.103 18.311 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 6.902 -27.665 17.281 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 9.576 -29.735 14.149 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 10.486 -29.604 14.428 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 9.283 -30.526 14.651 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -0.482 -19.636 22.047 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -0.996 -20.444 21.815 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 0.383 -19.987 22.362 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 5.894 -24.914 25.522 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 5.033 -25.391 25.550 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 5.717 -24.075 25.981 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 5.366 -18.351 24.693 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 5.692 -19.210 25.027 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 5.181 -17.834 25.503 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -2.800 -16.285 23.146 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -2.965 -15.427 23.588 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -3.296 -16.225 22.320 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -0.221 -17.012 22.619 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -0.327 -17.975 22.438 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -1.101 -16.737 22.957 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -4.713 -19.691 19.187 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -5.452 -19.107 19.463 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -3.936 -19.338 19.682 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -3.750 -18.091 13.623 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -4.264 -17.258 13.666 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -4.311 -18.690 13.087 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 10.896 -19.211 17.715 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 11.237 -19.690 18.500 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 11.117 -19.785 16.973 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -1.776 -20.659 9.667 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -1.366 -20.079 10.333 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -1.167 -20.613 8.902 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 10.263 -19.270 25.044 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 10.399 -19.104 26.004 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 9.967 -20.185 25.002 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -0.369 -5.982 9.751 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -1.297 -5.697 9.610 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 0.126 -5.135 9.850 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 0.435 -11.195 7.914 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 0.626 -10.259 8.097 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -0.507 -11.198 7.649 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 1.137 0.010 10.173 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 1.313 -0.596 9.426 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 0.679 0.780 9.759 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -2.402 -8.341 7.745 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -1.457 -8.371 8.006 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -2.624 -7.405 7.766 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -2.705 -16.323 6.184 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -2.230 -16.600 5.389 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -2.805 -17.155 6.707 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 4.556 -12.518 9.275 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 5.328 -12.582 9.874 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 4.546 -11.579 8.998 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -3.173 -12.621 5.465 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -2.949 -12.317 4.580 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -2.818 -11.923 6.056 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -3.163 -7.426 11.245 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -2.231 -7.738 11.282 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -3.153 -6.727 10.557 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -2.282 -11.046 7.479 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -3.046 -11.378 8.009 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -2.371 -10.064 7.520 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 2.581 -13.022 11.104 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 1.804 -13.267 10.559 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 3.277 -12.813 10.440 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -1.624 -16.547 9.392 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -1.391 -15.814 8.789 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -1.966 -17.247 8.795 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 0.595 -14.981 5.722 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 0.004 -14.571 6.377 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 1.231 -14.290 5.510 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -4.338 -1.866 9.519 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -4.787 -1.414 8.778 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -4.803 -2.720 9.593 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 0.576 -3.488 10.227 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -0.222 -2.928 10.340 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 1.147 -2.969 9.622 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -3.048 -5.182 9.719 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -2.983 -4.723 10.582 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -3.918 -4.893 9.363 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 0.160 -8.517 8.779 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 0.193 -7.554 8.964 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 0.324 -8.927 9.638 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -1.427 -14.363 7.623 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -1.925 -13.530 7.575 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -1.932 -14.977 7.043 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 4.571 -7.427 10.274 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 5.296 -7.591 10.912 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 4.281 -6.518 10.472 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 1.888 -16.126 9.081 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 2.849 -15.894 9.132 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 1.433 -15.267 9.195 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 0.726 -17.417 6.981 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 0.704 -16.721 6.292 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 1.160 -16.979 7.744 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 4.694 -9.681 8.755 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 4.533 -9.362 7.861 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 4.490 -8.903 9.328 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 1.799 -18.712 9.921 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 1.937 -17.785 9.615 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 1.759 -19.228 9.103 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 2.711 -15.071 12.951 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 2.755 -14.311 12.332 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 3.646 -15.331 13.078 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 4.436 -15.313 9.244 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 5.247 -15.490 9.759 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 4.477 -14.353 9.056 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 9.087 -16.101 12.042 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 9.793 -15.627 12.497 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 8.752 -16.738 12.717 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 0.704 -13.609 9.176 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 0.828 -12.719 8.766 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -0.102 -13.953 8.744 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -0.638 -18.511 11.126 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 0.264 -18.618 10.750 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -1.026 -17.775 10.606 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -5.721 -15.719 9.062 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -5.381 -15.257 8.262 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -5.814 -16.661 8.771 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -1.891 -2.214 10.631 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -2.241 -2.914 11.214 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -2.657 -1.982 10.053 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -5.920 -0.635 7.544 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -6.139 -0.220 6.678 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -6.191 0.042 8.203 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -2.763 -18.492 7.796 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -3.401 -18.973 8.363 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -2.014 -19.117 7.696 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 8.398 -18.149 13.706 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 7.942 -18.521 14.488 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 8.177 -18.780 12.984 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 7.684 -9.041 17.501 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 7.857 -8.290 18.087 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 8.451 -9.638 17.644 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 6.320 -4.906 17.494 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 6.787 -4.414 18.203 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 5.660 -4.257 17.152 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 4.194 -0.890 18.376 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 4.104 -1.608 19.035 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 3.325 -0.449 18.384 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 5.445 -7.012 19.051 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 5.789 -6.275 18.503 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 5.153 -6.578 19.878 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 10.391 -15.386 22.974 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 10.761 -14.517 23.255 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 10.115 -15.240 22.047 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 9.258 -11.372 24.886 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 8.684 -10.818 24.299 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 9.379 -10.829 25.674 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -1.494 -13.192 22.151 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -1.044 -12.390 22.496 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -2.143 -13.420 22.849 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 3.952 -8.044 17.020 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 4.490 -8.491 16.345 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 4.601 -7.787 17.718 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 1.404 -7.731 17.935 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 2.345 -7.966 17.794 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 1.430 -7.013 18.593 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 0.522 -7.384 21.395 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 0.557 -6.697 20.692 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -0.391 -7.313 21.753 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 9.926 -18.710 20.591 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 10.316 -19.584 20.417 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 10.672 -18.093 20.477 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 5.603 -3.033 13.835 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 5.911 -3.915 14.147 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 6.407 -2.599 13.530 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 6.586 -5.458 14.726 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 7.243 -6.162 14.537 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 6.618 -5.360 15.701 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 6.890 -10.073 15.131 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 7.135 -9.683 16.000 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 6.063 -9.601 14.879 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 6.523 -12.809 11.207 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 6.250 -12.642 12.136 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 6.849 -11.929 10.892 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 8.265 -10.208 20.782 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 8.869 -9.525 20.412 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 8.786 -11.038 20.732 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 5.785 -12.195 13.774 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 5.828 -12.953 14.399 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 6.310 -11.491 14.216 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 4.231 -11.192 26.031 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 4.397 -10.752 26.873 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 4.525 -12.119 26.183 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 4.467 -3.164 20.160 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 5.422 -3.121 19.954 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 4.366 -4.023 20.622 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 2.672 -6.785 22.920 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 1.848 -6.913 22.400 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 2.414 -6.986 23.825 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 6.852 -10.300 10.353 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 6.891 -9.516 10.937 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 6.184 -10.061 9.680 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -2.067 -7.218 22.299 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -2.981 -7.030 21.991 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -2.160 -8.037 22.840 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 4.732 -2.948 16.529 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 4.530 -2.121 17.008 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 4.922 -2.660 15.620 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 12.831 -20.602 9.774 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 13.259 -19.925 9.238 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 13.459 -21.332 9.782 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -4.703 -6.846 21.535 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -4.929 -5.889 21.551 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -5.557 -7.299 21.728 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -5.224 1.514 17.766 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -4.350 1.084 17.855 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -5.009 2.449 17.529 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 1.538 -1.491 15.370 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 2.034 -1.884 14.616 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 0.649 -1.324 15.013 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 2.915 -2.662 13.342 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 3.853 -2.892 13.512 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 2.961 -1.957 12.668 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 7.119 -13.187 24.666 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 7.513 -14.086 24.559 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 7.894 -12.595 24.744 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -5.251 -4.123 21.758 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -4.539 -3.649 22.238 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -6.050 -3.949 22.291 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -0.372 -15.146 20.579 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -0.224 -15.901 21.185 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -0.704 -14.435 21.161 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 4.511 -16.011 23.079 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 5.075 -16.495 23.706 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 3.671 -16.518 23.078 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 8.100 -15.677 24.470 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 8.178 -16.251 25.258 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 8.979 -15.733 24.042 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 3.003 -14.421 28.084 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 2.257 -14.238 27.488 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 3.773 -14.035 27.624 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -2.449 -9.402 23.796 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -1.658 -9.966 23.647 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -3.121 -10.014 24.114 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -4.766 -14.922 18.352 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -5.317 -15.643 17.981 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -3.972 -15.382 18.699 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 4.734 -10.636 23.343 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 4.756 -11.590 23.113 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 4.637 -10.632 24.317 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -4.865 -4.273 25.487 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -4.821 -4.437 26.437 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -4.260 -4.954 25.098 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 1.938 -11.444 24.544 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 2.236 -11.013 23.719 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 2.698 -11.341 25.155 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 10.070 -8.749 19.380 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 10.952 -8.363 19.408 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 10.160 -9.514 18.776 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 5.348 -15.923 13.294 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 5.295 -16.897 13.241 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 5.809 -15.669 12.470 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 4.616 -5.654 21.405 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 3.863 -6.067 21.892 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 5.328 -5.630 22.054 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 9.533 -11.038 17.971 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 9.564 -11.677 18.716 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 9.930 -11.526 17.219 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 4.640 -8.877 14.266 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 4.367 -7.983 13.946 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 4.050 -9.494 13.782 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -6.935 -8.443 21.844 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -6.795 -9.305 22.306 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -7.893 -8.371 21.767 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 12.830 -14.935 18.883 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 12.647 -15.320 18.009 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 12.782 -15.698 19.491 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -0.476 -2.072 20.521 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -0.802 -1.151 20.569 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -0.659 -2.437 21.421 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 7.217 -3.342 19.602 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 8.028 -3.431 20.113 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 7.211 -2.394 19.319 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 6.526 -8.221 12.114 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 7.285 -7.885 12.632 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 5.898 -8.529 12.788 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -3.547 -13.763 23.941 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -4.316 -13.628 23.336 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -3.906 -13.600 24.821 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 8.239 -7.730 14.263 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 7.897 -8.601 14.534 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 9.210 -7.805 14.394 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -7.063 -1.176 22.379 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -6.275 -0.669 22.653 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -7.085 -1.936 22.997 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 3.807 -4.799 11.082 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 2.867 -4.572 11.036 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 4.261 -3.995 10.752 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 4.911 -13.347 23.076 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 5.722 -13.314 23.629 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 4.705 -14.308 23.013 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 4.358 -6.341 13.348 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 4.202 -5.766 12.572 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 5.137 -5.944 13.789 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 5.161 -13.775 26.467 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 5.920 -13.518 25.897 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 5.262 -14.742 26.572 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 11.304 -12.917 23.758 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 12.032 -12.564 24.277 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 10.524 -12.399 24.057 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -3.610 -13.186 16.566 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -2.778 -13.421 17.013 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -4.292 -13.680 17.063 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 3.295 -0.462 11.707 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 3.476 0.352 12.192 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 2.490 -0.250 11.171 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -0.558 -7.785 11.838 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 0.215 -8.262 12.224 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -0.160 -7.130 11.231 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 3.375 -11.085 12.948 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 4.224 -11.490 13.231 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 3.007 -11.731 12.306 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 6.911 -0.772 18.849 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 5.965 -0.700 18.597 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 7.225 0.138 18.847 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -3.205 -6.192 24.578 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -3.199 -7.104 24.896 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -2.676 -6.224 23.759 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -0.280 -10.934 23.099 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 0.288 -11.227 23.847 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 0.354 -10.534 22.469 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 1.366 -9.190 13.104 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 0.977 -9.524 13.940 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 2.088 -9.825 12.908 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 2.716 -16.710 25.797 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 2.183 -15.913 25.969 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 3.448 -16.649 26.432 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 1.953 -14.039 25.484 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 2.659 -14.273 24.868 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 1.671 -13.150 25.194 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 2.131 -9.882 22.099 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 3.096 -9.807 22.207 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 1.856 -9.004 21.774 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 2.314 -17.544 23.292 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 2.405 -17.389 24.267 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 1.387 -17.271 23.094 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 4.474 -16.290 29.402 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 3.833 -15.624 29.063 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 4.321 -16.303 30.351 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 5.284 -22.586 26.973 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 4.371 -22.273 26.986 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 5.464 -22.838 27.888 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -1.057 -0.055 12.023 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -0.250 0.174 11.527 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -1.362 -0.887 11.604 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 10.911 -8.378 14.710 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 11.569 -7.830 14.274 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 11.436 -9.031 15.213 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 12.785 -10.058 16.034 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 13.046 -10.458 16.901 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 13.602 -9.670 15.702 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 10.977 -12.298 15.989 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 10.809 -12.401 15.044 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 11.699 -11.640 16.033 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 7.487 -10.005 23.378 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 6.513 -10.066 23.348 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 7.754 -9.962 22.435 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -8.436 -17.130 23.298 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -7.983 -17.961 23.037 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -8.993 -17.386 24.039 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 11.004 -17.667 14.377 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 10.057 -17.883 14.230 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 11.465 -18.129 13.670 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -5.642 -13.516 22.206 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -6.210 -14.300 22.030 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -5.448 -13.158 21.310 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -7.028 -19.290 22.421 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -6.098 -19.025 22.639 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -7.060 -20.229 22.634 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 0.682 -5.473 19.424 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 1.321 -4.733 19.442 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -0.140 -5.064 19.068 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 10.447 -18.684 27.751 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 11.034 -17.990 28.074 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 10.603 -19.436 28.375 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -3.793 -2.551 23.489 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -4.190 -2.854 24.328 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -4.101 -1.623 23.396 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -1.139 -2.982 22.992 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -2.098 -2.807 23.116 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -0.859 -3.359 23.830 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -4.791 -2.141 19.466 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -4.817 -2.815 20.168 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -5.705 -1.784 19.445 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -1.329 -3.869 18.511 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -1.116 -3.205 19.201 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -2.118 -3.507 18.066 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 1.822 -2.956 19.296 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 2.650 -2.946 19.818 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 1.132 -2.647 19.924 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 8.306 -18.272 17.302 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 7.986 -18.949 16.672 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 9.204 -18.578 17.546 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -2.433 -16.337 19.138 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -2.257 -16.757 18.268 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -1.573 -15.925 19.387 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -4.915 -15.620 13.712 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -5.421 -15.502 14.543 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -5.535 -15.328 13.019 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 9.583 -17.905 10.022 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 9.196 -17.521 9.229 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 9.457 -17.217 10.708 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 4.581 -2.282 10.138 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 5.475 -1.967 9.959 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 4.209 -1.614 10.758 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 5.410 -16.594 26.867 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 5.178 -16.590 27.828 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 6.366 -16.818 26.853 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -5.181 19.427 -11.161 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -5.504 18.518 -10.985 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -5.875 20.005 -10.773 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -7.412 13.610 -9.565 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -6.531 13.709 -9.172 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -7.288 13.891 -10.491 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -4.694 14.508 -10.066 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -5.219 14.519 -10.889 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -3.800 14.313 -10.355 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -3.738 21.910 -11.923 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -2.810 21.589 -11.992 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -4.266 21.093 -11.872 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -1.154 18.539 -4.153 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -0.982 18.234 -5.078 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -1.414 17.736 -3.684 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -7.083 19.067 3.923 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -6.936 18.912 2.959 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -6.949 18.183 4.326 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -4.215 19.015 -2.172 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -3.731 19.666 -2.713 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -4.873 18.643 -2.785 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -2.977 20.595 -4.108 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -3.066 21.130 -4.931 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -2.379 19.860 -4.362 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -1.797 3.924 7.827 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -1.314 4.348 7.076 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -1.805 4.615 8.525 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -6.520 16.476 4.675 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -6.604 15.537 4.845 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -5.807 16.534 3.991 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -1.054 17.668 -6.726 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -1.989 17.865 -6.968 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -0.640 17.432 -7.560 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -5.971 18.587 -4.430 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -6.478 19.367 -4.111 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -5.598 18.886 -5.283 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -9.033 15.589 9.519 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -8.305 16.054 9.947 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -9.109 16.020 8.641 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -6.100 11.345 13.222 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -5.677 10.666 12.647 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -7.055 11.286 12.994 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -4.822 9.451 11.705 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -5.022 8.993 10.877 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -4.681 8.732 12.347 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -0.453 5.277 5.914 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -0.860 5.835 5.214 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 0.490 5.321 5.730 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -1.328 4.351 12.104 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -1.376 3.499 12.590 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -1.318 5.027 12.818 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -1.350 6.833 3.827 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -1.529 7.762 3.650 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -1.510 6.394 2.986 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 2.276 -2.079 8.581 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 2.470 -2.220 7.646 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 3.138 -2.216 9.029 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -0.263 2.231 9.386 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -0.746 2.648 8.643 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -0.229 2.920 10.061 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -6.882 15.892 -4.771 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -7.722 16.030 -5.242 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -6.547 16.796 -4.603 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -4.250 2.838 7.531 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -3.346 3.230 7.558 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -4.230 2.252 6.768 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -6.973 0.906 5.547 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -7.438 0.957 4.707 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -7.259 1.712 6.030 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -4.561 16.441 2.796 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -4.580 16.843 1.909 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -3.605 16.378 3.007 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -6.324 21.015 5.745 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -6.586 20.356 5.064 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -5.830 21.681 5.255 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -1.782 18.926 1.477 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -1.818 19.310 2.385 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -1.322 19.615 0.947 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -6.684 18.482 1.304 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -7.189 18.555 0.490 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -5.769 18.292 1.006 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -4.149 17.986 0.394 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -4.145 18.292 -0.541 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -3.289 18.299 0.751 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 1.569 22.421 -1.869 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 2.348 21.844 -1.770 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 0.864 21.822 -2.183 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -5.502 20.112 -6.758 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -6.357 19.722 -7.086 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -5.425 20.954 -7.243 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -3.438 22.484 -6.071 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -3.613 23.396 -5.749 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -4.047 22.379 -6.829 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -5.291 12.388 18.061 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -5.492 12.644 17.130 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -4.340 12.200 18.054 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -2.853 2.593 22.231 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -2.488 3.280 22.798 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -3.622 3.025 21.798 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -1.697 5.330 18.221 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -2.480 5.616 18.723 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -1.168 6.154 18.108 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -0.186 10.394 18.240 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -0.224 10.461 19.221 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -0.923 10.956 17.936 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -4.935 4.043 21.065 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -5.856 4.322 21.272 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -4.622 4.717 20.428 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -0.575 10.633 20.950 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -1.455 10.530 21.382 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 0.058 10.485 21.664 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -5.880 12.993 15.500 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -5.954 12.514 14.653 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -6.200 13.896 15.294 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -3.008 -0.007 18.728 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -2.512 0.261 19.533 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -3.621 -0.702 19.047 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -2.500 11.817 17.498 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -2.672 10.948 17.058 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -2.493 12.454 16.768 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 1.385 9.280 16.254 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 2.267 9.665 16.249 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 0.902 9.791 16.940 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -5.127 7.897 17.308 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -5.316 8.457 16.518 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -5.403 8.463 18.069 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -3.117 10.622 22.000 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -3.999 10.675 21.597 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -3.105 11.367 22.637 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -2.673 9.481 16.161 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -1.995 9.265 15.471 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -2.854 8.628 16.585 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -6.068 11.809 23.837 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -6.939 12.073 24.201 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -6.174 10.865 23.624 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -5.879 11.698 20.919 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -5.299 12.461 20.707 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -6.396 12.002 21.691 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -3.569 12.831 23.638 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -3.122 12.592 24.483 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -4.511 12.571 23.785 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -1.364 0.678 20.820 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -0.625 1.249 20.580 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -1.934 1.249 21.384 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -1.481 5.846 14.429 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -1.196 5.148 15.053 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -2.403 6.042 14.702 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -4.146 6.142 19.322 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -4.102 6.749 20.095 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -4.516 6.700 18.604 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -0.366 7.665 17.801 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 0.376 7.682 17.175 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -0.467 8.597 18.071 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -4.197 8.056 21.418 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -3.477 8.664 21.669 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -4.909 8.249 22.068 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -1.832 5.739 9.862 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -1.706 5.227 10.700 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -1.260 6.511 9.971 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -1.305 3.599 16.154 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -1.471 4.205 16.916 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -1.160 2.725 16.574 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -0.739 8.566 14.546 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -0.789 7.601 14.391 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 0.119 8.694 14.995 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -4.606 4.125 17.215 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -4.289 4.653 16.455 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -4.380 4.666 17.988 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -2.205 12.413 25.984 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -1.909 12.202 26.872 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -1.876 13.326 25.830 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -1.035 0.939 17.023 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -0.212 0.581 17.414 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -1.743 0.632 17.631 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -6.326 9.074 22.847 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -6.637 8.950 23.777 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -7.131 9.012 22.318 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -3.134 16.402 12.930 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -2.253 16.670 12.658 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -3.505 15.955 12.136 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -5.475 6.950 13.082 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -6.196 7.529 13.403 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -5.778 6.664 12.205 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -1.889 12.922 19.974 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -2.066 12.557 19.086 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -1.283 12.278 20.381 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -1.671 14.837 24.900 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -1.619 15.781 24.732 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -2.198 14.490 24.164 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -5.272 9.511 15.147 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -5.599 10.215 14.556 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -4.332 9.732 15.286 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -1.539 2.193 13.785 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -1.007 1.388 13.859 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -1.452 2.623 14.665 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -4.076 6.153 15.318 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -4.480 6.726 15.999 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -4.546 6.399 14.488 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -5.360 1.357 20.570 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -5.424 1.280 19.601 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -5.275 2.317 20.727 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -6.920 15.556 15.132 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -7.428 15.434 15.965 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -7.395 16.271 14.664 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -4.238 12.456 11.406 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -4.894 12.441 12.123 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -3.992 11.526 11.294 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -3.755 17.219 18.006 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -3.917 17.002 17.056 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -3.195 16.503 18.316 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -8.127 15.134 17.609 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -8.754 15.725 18.072 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -7.414 14.988 18.266 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -4.600 0.070 22.847 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -4.885 0.400 21.961 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -3.960 0.732 23.145 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -5.711 9.366 19.529 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -5.292 8.827 20.226 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -5.780 10.261 19.928 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -9.370 2.721 21.182 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -9.288 1.862 21.617 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -9.959 3.238 21.776 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -6.666 14.685 19.910 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -7.096 14.381 20.736 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -5.708 14.579 20.089 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -4.205 13.862 21.022 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -3.352 13.661 20.569 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -4.013 13.702 21.966 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 1.254 -0.580 17.922 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 1.421 -0.826 16.985 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 1.316 -1.427 18.405 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -4.233 16.342 15.479 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -3.805 16.365 14.595 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -5.144 16.045 15.295 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -1.210 -1.741 15.844 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -1.291 -0.786 16.022 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -1.881 -2.147 16.424 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -2.334 33.627 -11.254 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -3.286 33.425 -11.328 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -2.307 34.581 -11.037 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -0.806 31.348 -10.911 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -0.444 31.593 -10.042 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -1.363 32.120 -11.163 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -2.308 29.363 -9.547 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -1.767 29.832 -10.210 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -2.982 30.020 -9.283 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -1.951 36.168 -10.054 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -1.990 37.123 -10.286 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -2.563 36.085 -9.289 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -6.251 30.561 -12.461 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -5.737 29.950 -13.001 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -6.970 30.871 -13.064 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -8.224 31.419 -14.092 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -8.346 32.364 -14.332 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -8.988 30.977 -14.477 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -4.030 31.474 -8.770 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -3.790 32.400 -8.500 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -4.486 31.112 -7.990 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -2.980 23.538 -9.784 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -3.079 23.068 -10.637 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -2.953 24.492 -10.034 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -0.969 33.370 -8.716 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -0.882 33.768 -9.596 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -1.907 33.561 -8.462 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -7.946 25.228 -12.173 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -6.990 24.995 -12.193 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -8.354 24.582 -12.756 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 1.495 28.590 -10.181 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 1.308 28.993 -11.058 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 2.013 27.808 -10.387 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -1.305 20.755 -11.546 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -0.384 20.710 -11.284 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -1.756 20.105 -10.957 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -5.033 32.715 -11.135 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -4.690 32.304 -10.314 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -5.436 31.964 -11.625 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 0.911 34.479 -6.888 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 0.609 33.728 -6.338 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 0.408 34.376 -7.721 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 0.817 29.808 -12.508 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 0.802 30.193 -13.387 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 0.203 30.372 -11.986 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -3.064 26.295 -9.918 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -2.734 27.201 -10.027 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -3.530 26.311 -9.062 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -1.413 23.844 -7.497 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -1.804 23.744 -8.389 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -1.894 23.198 -6.953 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -6.147 24.761 -9.383 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -5.640 25.427 -8.873 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -6.858 25.269 -9.799 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -5.084 22.464 -8.337 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -5.655 23.235 -8.558 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -4.261 22.627 -8.854 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -5.425 24.193 -12.078 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -5.425 24.289 -11.110 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -4.817 23.446 -12.244 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -6.950 20.917 -9.707 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -6.346 21.511 -9.230 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -7.294 20.312 -9.010 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 0.854 36.037 -10.033 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -0.118 36.102 -10.122 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 1.191 36.162 -10.948 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -5.225 35.811 -10.026 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -4.854 36.082 -9.149 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -4.889 34.911 -10.148 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -4.821 38.361 -11.481 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -5.038 37.513 -11.047 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -5.340 39.031 -10.978 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -6.943 34.858 -11.981 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -6.423 34.041 -12.038 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -6.468 35.392 -11.310 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -2.732 19.093 -9.944 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -3.591 19.168 -10.412 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -2.979 18.849 -9.029 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -3.577 18.343 -7.435 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -4.207 17.582 -7.391 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -4.124 19.115 -7.173 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 4.012 21.337 -1.110 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 3.988 22.075 -0.462 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 4.898 21.376 -1.479 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 3.347 36.881 1.228 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 3.299 36.001 0.784 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 4.095 36.800 1.830 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 1.140 31.034 0.848 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 1.029 31.696 0.142 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 2.005 30.620 0.645 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -0.596 20.980 0.165 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -0.872 21.930 0.203 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -0.469 20.809 -0.791 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 3.246 30.090 -0.653 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 3.226 30.846 -1.250 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 3.026 29.325 -1.225 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 0.360 28.425 1.446 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -0.085 28.388 2.317 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 0.603 29.369 1.338 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -0.842 28.036 3.924 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 0.062 27.820 4.263 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -1.358 27.238 4.108 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 3.825 23.249 0.866 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 4.003 23.865 1.591 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 3.028 23.628 0.425 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 2.678 34.604 -0.128 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 2.436 33.673 -0.292 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 1.891 35.108 -0.425 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 0.647 30.428 -3.044 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 1.036 29.619 -2.655 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 0.892 30.374 -3.994 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -3.594 30.615 7.093 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -2.858 30.567 6.455 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -4.394 30.692 6.527 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -2.418 38.334 -1.344 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -2.699 38.614 -2.247 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -3.242 38.378 -0.817 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -1.176 32.635 3.209 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -1.343 33.605 3.134 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -0.346 32.500 2.732 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 2.781 34.347 -3.118 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 2.557 35.273 -3.349 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 3.325 34.430 -2.323 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 2.775 32.436 -5.266 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 2.813 33.061 -4.516 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 3.210 32.919 -6.000 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 0.843 21.210 2.509 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 0.357 21.102 1.666 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 1.748 20.895 2.303 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 0.877 27.043 7.415 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 0.992 27.445 8.279 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -0.085 26.845 7.367 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 0.336 26.811 -0.755 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -0.419 27.067 -1.321 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 0.246 27.384 0.043 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -4.597 26.296 -7.609 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -4.391 25.716 -6.843 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -4.509 27.189 -7.259 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -1.378 23.560 0.226 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -1.743 24.148 -0.464 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -1.092 24.166 0.932 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -5.610 31.575 9.106 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -4.877 31.110 8.660 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -6.026 30.884 9.667 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 2.567 25.765 2.085 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 2.509 26.719 1.947 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 2.309 25.380 1.221 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -4.511 22.599 -3.077 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -4.839 23.012 -3.884 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -4.004 21.824 -3.393 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 1.580 27.218 4.771 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 2.256 26.558 4.579 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 1.455 27.160 5.746 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -0.522 32.118 -6.284 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -0.152 31.233 -6.438 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -0.752 32.438 -7.182 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 1.560 32.480 -1.519 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 1.783 33.137 -2.214 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 1.142 31.742 -2.015 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 0.497 36.158 -0.768 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 0.786 37.034 -1.087 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 0.321 36.299 0.188 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -7.745 32.430 6.643 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -8.004 31.581 7.079 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -8.040 33.115 7.267 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 0.208 29.832 -8.136 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -0.675 29.468 -8.324 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 0.780 29.442 -8.840 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -1.594 34.933 -2.063 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -1.282 34.235 -2.684 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -0.766 35.331 -1.714 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -0.881 32.741 -3.599 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -0.862 32.675 -4.577 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -0.536 31.881 -3.299 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 2.130 28.150 -2.273 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 1.643 27.574 -1.644 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 2.026 27.700 -3.134 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -2.927 24.708 -1.915 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -3.087 23.920 -2.454 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -3.802 24.913 -1.536 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -3.915 35.028 5.563 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -4.331 34.572 6.330 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -3.760 34.311 4.916 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 3.585 34.095 -7.375 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 2.642 34.330 -7.264 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 3.869 34.608 -8.137 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -8.524 30.220 7.862 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -8.670 29.310 7.541 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -8.133 30.102 8.745 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 1.411 30.043 -5.653 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 1.223 29.927 -6.609 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 1.995 30.841 -5.616 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -1.565 24.934 4.849 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -1.220 25.060 3.936 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -1.479 23.977 5.000 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 0.649 27.526 -4.569 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -0.057 27.755 -3.935 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 0.843 28.366 -5.029 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -1.799 26.356 7.231 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -2.295 25.700 7.767 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -1.747 25.943 6.340 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -1.398 25.918 -5.686 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -0.529 26.257 -5.399 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -1.187 25.290 -6.410 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -0.482 22.235 4.621 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -0.097 21.941 3.756 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 0.286 22.498 5.138 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 3.363 20.591 1.587 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 3.604 21.532 1.509 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 3.518 20.234 0.701 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -0.517 25.299 2.364 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -0.960 25.978 1.810 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 0.428 25.521 2.307 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -3.495 24.647 8.582 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -4.176 25.251 8.948 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -3.507 23.889 9.177 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -1.842 16.646 2.988 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -0.944 16.564 3.315 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -1.805 17.410 2.375 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -5.175 23.966 6.385 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -4.382 24.238 6.873 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -5.885 24.001 7.050 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -0.206 38.114 -2.938 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -0.974 37.898 -2.369 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -0.569 38.081 -3.851 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -4.071 32.703 3.940 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -3.153 32.392 3.826 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -4.481 32.028 4.512 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -2.129 30.409 4.525 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -1.636 29.586 4.316 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -1.607 31.118 4.095 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -8.964 38.037 3.920 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -8.348 38.532 3.344 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -9.477 38.735 4.378 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -0.254 39.048 2.886 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -0.722 39.457 2.125 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -0.347 39.690 3.593 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 0.623 36.721 1.879 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 0.323 37.567 2.291 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 1.591 36.833 1.786 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -0.508 20.734 -2.574 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -0.532 19.897 -3.081 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -1.316 21.196 -2.848 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 -3.917 25.028 -5.216 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 -4.380 25.543 -4.518 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 -2.985 25.363 -5.186 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 1.731 24.562 -0.241 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 1.540 23.821 -0.869 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 1.156 25.295 -0.557 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 1.653 36.975 -6.071 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 1.435 36.044 -6.298 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 2.117 37.311 -6.874 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -1.887 19.883 4.035 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -2.491 19.684 4.756 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -1.418 20.690 4.327 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -9.796 25.602 12.007 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -9.505 24.888 11.396 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -9.551 26.414 11.553 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -6.694 21.330 18.376 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -6.169 20.543 18.619 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -7.265 21.484 19.151 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -5.449 26.477 9.417 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -4.794 27.137 9.076 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -6.208 27.017 9.688 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -6.799 24.248 8.701 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -6.349 25.053 9.029 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -7.606 24.178 9.260 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -3.617 28.179 8.402 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 -3.593 29.062 7.978 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 -2.899 27.683 7.961 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 -7.971 33.020 9.672 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 -7.100 32.590 9.531 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 -8.183 32.824 10.613 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -8.369 20.490 13.737 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -9.180 20.915 14.040 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -7.680 20.814 14.368 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -3.842 15.052 10.633 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -3.963 14.117 10.920 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -3.762 14.997 9.677 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -1.307 40.444 -6.727 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -1.157 39.525 -6.426 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -1.781 40.346 -7.568 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -5.661 45.637 -11.158 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -5.457 44.723 -10.889 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -6.149 46.009 -10.396 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -9.132 47.000 -11.573 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -8.568 46.917 -12.364 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -8.494 47.023 -10.827 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -5.217 42.805 -10.989 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -4.939 42.655 -11.897 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -5.537 41.917 -10.685 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 -6.961 46.588 -13.293 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 -6.413 46.269 -12.531 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 -6.441 47.302 -13.673 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 1.314 39.336 -12.948 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 0.569 39.543 -12.368 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 1.329 40.058 -13.584 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 -1.921 44.879 -3.823 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 -2.011 45.292 -2.961 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 -1.471 44.031 -3.635 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 -2.292 38.869 -10.497 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 -3.089 38.698 -11.040 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 -2.594 39.514 -9.829 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 2.585 37.505 -8.555 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 2.946 38.101 -9.215 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 1.952 36.941 -9.059 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 -9.830 42.203 -14.418 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 -9.267 42.996 -14.431 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 -10.733 42.553 -14.267 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 -5.542 38.976 -14.127 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 -5.175 38.746 -13.249 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 -6.037 39.798 -13.973 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 -3.693 38.618 -6.634 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 -3.507 38.463 -5.693 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 -3.771 37.709 -7.020 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 -6.011 44.884 -3.669 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 -5.727 43.941 -3.599 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 -5.337 45.290 -4.258 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 -9.318 47.032 -2.866 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 -8.797 46.308 -2.451 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 -10.211 46.661 -2.943 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 -4.720 38.538 0.069 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 -4.797 39.302 0.675 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 -5.248 38.803 -0.723 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 -8.071 44.846 -1.762 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 -8.139 43.890 -1.572 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 -7.256 44.923 -2.298 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 -3.874 40.228 2.209 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 -3.130 40.469 1.621 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 -3.830 40.885 2.934 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 -1.528 40.044 0.664 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 -0.890 40.504 0.083 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 -1.844 39.297 0.116 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 -1.548 35.332 2.833 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 -0.738 35.751 2.475 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 -2.240 36.009 2.709 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 -3.351 37.596 2.738 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 -3.140 37.628 3.696 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 -3.417 38.541 2.477 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -5.157 41.587 -0.856 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -4.862 42.232 -1.520 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -5.245 40.748 -1.364 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 2.061 36.765 -12.388 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 1.794 37.688 -12.596 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 2.718 36.553 -13.056 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 0.282 40.399 -1.424 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 1.071 39.979 -1.019 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 -0.023 39.737 -2.078 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 -5.141 42.338 -3.573 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 -5.800 41.609 -3.702 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 -4.359 42.046 -4.083 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 -0.651 42.512 -3.075 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 -0.475 41.803 -2.424 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 0.222 42.958 -3.179 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 1.814 43.648 -3.056 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 2.244 44.336 -3.573 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 2.539 43.170 -2.641 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 -3.350 39.149 -3.752 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -4.243 39.236 -3.336 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 -3.211 40.006 -4.200 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -4.016 45.467 -5.503 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -3.191 45.352 -4.981 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -3.949 44.796 -6.202 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 -3.991 41.754 4.545 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 -4.974 41.857 4.520 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 -3.692 42.485 5.096 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 2.276 37.068 -3.393 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 2.296 37.113 -4.374 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 1.397 37.436 -3.158 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 -2.715 41.640 -4.766 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 -2.055 42.013 -4.140 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 -2.161 41.231 -5.479 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 -3.723 42.868 -7.066 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 -3.488 42.145 -7.680 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 -3.426 42.544 -6.195 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 -6.005 37.107 2.477 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 -5.095 37.466 2.558 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 -6.551 37.891 2.261 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 -2.842 37.506 5.423 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 -1.919 37.370 5.663 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 -3.259 36.620 5.560 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 -6.666 41.629 4.653 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 -6.707 40.785 5.131 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 -7.604 41.881 4.527 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 -7.781 42.064 -1.419 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 -7.749 41.569 -2.268 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 -6.869 41.979 -1.063 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -8.957 41.603 1.107 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -8.531 41.711 0.229 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -9.926 41.615 0.903 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 2.208 38.479 -0.776 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 2.632 38.106 -1.568 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 2.681 38.059 -0.029 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 -3.531 40.483 -8.599 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 -4.373 40.516 -9.107 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 -3.714 39.837 -7.871 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 -0.880 37.865 -5.640 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 -1.390 37.122 -5.988 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 0.056 37.625 -5.829 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -6.410 35.380 4.491 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -6.224 35.998 3.748 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 -5.552 35.297 4.951 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 13.300 -19.770 22.249 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 13.726 -20.122 23.039 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 12.719 -19.051 22.591 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 11.869 -20.617 19.956 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 12.595 -21.120 19.536 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 12.232 -20.368 20.830 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 12.159 -17.067 20.492 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 12.903 -17.618 20.145 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 12.187 -17.210 21.461 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 14.202 -18.800 19.869 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 14.128 -19.098 20.797 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 14.425 -19.607 19.380 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 12.496 -12.704 20.381 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 12.622 -13.509 19.818 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 12.773 -12.987 21.262 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 9.771 -12.475 20.310 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 9.643 -13.439 20.410 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 10.741 -12.354 20.409 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 7.539 -15.576 17.352 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 8.431 -15.169 17.369 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 7.716 -16.542 17.332 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 6.002 -14.340 15.475 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 6.576 -14.908 16.040 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 5.681 -14.949 14.771 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 13.618 -11.394 18.209 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 13.136 -11.688 19.010 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 14.351 -12.014 18.135 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 10.036 -14.427 17.456 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 10.618 -15.182 17.204 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 10.406 -13.665 16.957 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 9.949 -15.273 20.175 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 10.725 -15.869 20.185 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 9.870 -15.003 19.235 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 11.524 -16.612 16.902 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 11.459 -16.866 15.954 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 11.351 -17.448 17.381 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 11.666 -17.791 23.161 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 11.227 -16.912 23.205 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 11.169 -18.337 23.814 1.00 0.00 WAT1 END