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: -1613.22, 78.3815, 87.4038, 36.7396, 419.259, -266.859, -1969.43, 1.28253, 0 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.176283E-03,0.456479,1.12297,42.0813,3.539885E-03,0 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 20, 0 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:39:06 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 4.777 -19.980 34.069 1.00 21.30 ATOM 2 CB MET 1 6.148 -18.944 32.787 1.00 53.41 ATOM 3 HB1 MET 1 6.794 -19.806 32.708 1.00 37.52 ATOM 4 HB2 MET 1 6.513 -18.306 33.580 1.00 10.22 ATOM 5 CG MET 1 6.228 -18.171 31.478 1.00 63.14 ATOM 6 HG1 MET 1 7.262 -17.925 31.280 1.00 37.52 ATOM 7 HG2 MET 1 5.654 -17.259 31.575 1.00 4.52 ATOM 8 SD MET 1 5.583 -19.118 30.088 1.00 23.23 ATOM 9 CE MET 1 5.758 -17.935 28.755 1.00 63.41 ATOM 10 HE1 MET 1 5.396 -18.374 27.837 1.00 52.20 ATOM 11 HE2 MET 1 6.799 -17.671 28.643 1.00 22.15 ATOM 12 HE3 MET 1 5.184 -17.048 28.982 1.00 11.01 ATOM 13 C MET 1 3.814 -18.209 33.358 1.00 1.35 ATOM 14 O MET 1 3.757 -17.652 34.454 1.00 44.41 ATOM 15 N MET 1 4.210 -20.339 32.088 1.00 12.34 ATOM 16 HT1 MET 1 4.143 -19.845 31.174 1.00 37.52 ATOM 17 HT2 MET 1 3.265 -20.689 32.349 1.00 37.52 ATOM 18 HT3 MET 1 4.847 -21.156 31.976 1.00 37.52 ATOM 19 CA MET 1 4.732 -19.422 33.144 1.00 5.21 ATOM 20 N GLY 2 3.097 -17.799 32.313 1.00 33.11 ATOM 21 HN GLY 2 3.163 -18.286 31.466 1.00 37.52 ATOM 22 CA GLY 2 2.212 -16.641 32.413 1.00 60.42 ATOM 23 HA1 GLY 2 2.188 -16.304 33.439 1.00 37.52 ATOM 24 HA2 GLY 2 1.214 -16.942 32.127 1.00 70.45 ATOM 25 C GLY 2 2.648 -15.478 31.523 1.00 15.40 ATOM 26 O GLY 2 3.699 -14.871 31.745 1.00 22.15 ATOM 27 N HIS 3 1.838 -15.164 30.516 1.00 44.34 ATOM 28 HN HIS 3 1.008 -15.675 30.398 1.00 37.52 ATOM 29 CA HIS 3 2.146 -14.082 29.573 1.00 61.02 ATOM 30 HA HIS 3 3.222 -14.027 29.473 1.00 20.33 ATOM 31 CB HIS 3 1.539 -14.404 28.199 1.00 10.25 ATOM 32 HB1 HIS 3 0.464 -14.464 28.296 1.00 37.52 ATOM 33 HB2 HIS 3 1.915 -15.359 27.863 1.00 33.11 ATOM 34 CG HIS 3 1.849 -13.390 27.139 1.00 32.52 ATOM 35 ND1 HIS 3 0.932 -12.460 26.695 1.00 25.44 ATOM 36 HD1 HIS 3 0.007 -12.371 27.011 1.00 74.44 ATOM 37 CD2 HIS 3 2.977 -13.169 26.423 1.00 41.41 ATOM 38 HD2 HIS 3 3.907 -13.712 26.506 1.00 15.05 ATOM 39 CE1 HIS 3 1.479 -11.716 25.757 1.00 3.13 ATOM 40 HE1 HIS 3 0.998 -10.905 25.232 1.00 23.15 ATOM 41 NE2 HIS 3 2.715 -12.125 25.573 1.00 32.33 ATOM 42 HE2 HIS 3 3.336 -11.764 24.903 1.00 37.52 ATOM 43 C HIS 3 1.630 -12.724 30.086 1.00 51.13 ATOM 44 O HIS 3 0.520 -12.299 29.756 1.00 71.21 ATOM 45 N HIS 4 2.442 -12.057 30.904 1.00 0.44 ATOM 46 HN HIS 4 3.306 -12.453 31.135 1.00 37.52 ATOM 47 CA HIS 4 2.073 -10.757 31.481 1.00 5.52 ATOM 48 HA HIS 4 1.080 -10.864 31.899 1.00 1.24 ATOM 49 CB HIS 4 3.034 -10.381 32.626 1.00 71.11 ATOM 50 HB1 HIS 4 2.793 -10.978 33.494 1.00 37.52 ATOM 51 HB2 HIS 4 2.901 -9.338 32.873 1.00 50.42 ATOM 52 CG HIS 4 4.487 -10.592 32.317 1.00 24.11 ATOM 53 ND1 HIS 4 5.197 -11.693 32.751 1.00 21.21 ATOM 54 HD1 HIS 4 4.843 -12.425 33.302 1.00 73.04 ATOM 55 CD2 HIS 4 5.369 -9.834 31.625 1.00 32.24 ATOM 56 HD2 HIS 4 5.162 -8.891 31.138 1.00 12.43 ATOM 57 CE1 HIS 4 6.444 -11.602 32.340 1.00 53.23 ATOM 58 HE1 HIS 4 7.228 -12.323 32.528 1.00 30.24 ATOM 59 NE2 HIS 4 6.574 -10.487 31.655 1.00 14.04 ATOM 60 HE2 HIS 4 7.375 -10.224 31.156 1.00 37.52 ATOM 61 C HIS 4 2.025 -9.638 30.423 1.00 63.24 ATOM 62 O HIS 4 3.049 -9.070 30.044 1.00 23.51 ATOM 63 N HIS 5 0.820 -9.339 29.945 1.00 54.01 ATOM 64 HN HIS 5 0.050 -9.875 30.232 1.00 37.52 ATOM 65 CA HIS 5 0.609 -8.244 28.994 1.00 24.04 ATOM 66 HA HIS 5 1.580 -7.912 28.649 1.00 35.33 ATOM 67 CB HIS 5 -0.200 -8.742 27.787 1.00 52.23 ATOM 68 HB1 HIS 5 -1.060 -9.294 28.142 1.00 37.52 ATOM 69 HB2 HIS 5 0.419 -9.400 27.194 1.00 54.13 ATOM 70 CG HIS 5 -0.695 -7.645 26.889 1.00 14.11 ATOM 71 ND1 HIS 5 -1.990 -7.177 26.924 1.00 21.50 ATOM 72 HD1 HIS 5 -2.702 -7.511 27.511 1.00 52.34 ATOM 73 CD2 HIS 5 -0.066 -6.923 25.931 1.00 43.15 ATOM 74 HD2 HIS 5 0.966 -7.022 25.628 1.00 62.41 ATOM 75 CE1 HIS 5 -2.138 -6.219 26.033 1.00 54.23 ATOM 76 HE1 HIS 5 -3.049 -5.670 25.840 1.00 2.34 ATOM 77 NE2 HIS 5 -0.987 -6.045 25.418 1.00 15.11 ATOM 78 HE2 HIS 5 -0.858 -5.498 24.613 1.00 37.52 ATOM 79 C HIS 5 -0.104 -7.057 29.666 1.00 23.30 ATOM 80 O HIS 5 -1.308 -7.106 29.924 1.00 70.22 ATOM 81 N HIS 6 0.648 -5.998 29.957 1.00 73.13 ATOM 82 HN HIS 6 1.609 -6.030 29.758 1.00 37.52 ATOM 83 CA HIS 6 0.088 -4.782 30.561 1.00 73.44 ATOM 84 HA HIS 6 -0.855 -5.048 31.020 1.00 33.43 ATOM 85 CB HIS 6 1.027 -4.239 31.645 1.00 13.22 ATOM 86 HB1 HIS 6 0.740 -3.223 31.887 1.00 37.52 ATOM 87 HB2 HIS 6 2.041 -4.239 31.269 1.00 41.24 ATOM 88 CG HIS 6 1.006 -5.037 32.910 1.00 50.34 ATOM 89 ND1 HIS 6 0.157 -4.754 33.957 1.00 63.05 ATOM 90 HD1 HIS 6 -0.503 -4.026 33.982 1.00 22.33 ATOM 91 CD2 HIS 6 1.731 -6.112 33.303 1.00 31.14 ATOM 92 HD2 HIS 6 2.497 -6.614 32.729 1.00 52.52 ATOM 93 CE1 HIS 6 0.361 -5.610 34.933 1.00 63.40 ATOM 94 HE1 HIS 6 -0.163 -5.624 35.875 1.00 30.50 ATOM 95 NE2 HIS 6 1.307 -6.445 34.566 1.00 31.33 ATOM 96 HE2 HIS 6 1.785 -7.045 35.180 1.00 37.52 ATOM 97 C HIS 6 -0.176 -3.698 29.506 1.00 34.02 ATOM 98 O HIS 6 0.489 -3.647 28.471 1.00 52.23 ATOM 99 N HIS 7 -1.152 -2.835 29.784 1.00 4.15 ATOM 100 HN HIS 7 -1.648 -2.940 30.623 1.00 37.52 ATOM 101 CA HIS 7 -1.523 -1.747 28.867 1.00 21.01 ATOM 102 HA HIS 7 -1.757 -2.194 27.912 1.00 1.41 ATOM 103 CB HIS 7 -2.773 -1.025 29.387 1.00 73.24 ATOM 104 HB1 HIS 7 -3.592 -1.728 29.428 1.00 37.52 ATOM 105 HB2 HIS 7 -3.029 -0.227 28.705 1.00 52.22 ATOM 106 CG HIS 7 -2.609 -0.426 30.754 1.00 71.41 ATOM 107 ND1 HIS 7 -3.092 -1.017 31.902 1.00 54.00 ATOM 108 HD1 HIS 7 -3.588 -1.861 31.947 1.00 1.34 ATOM 109 CD2 HIS 7 -2.014 0.724 31.154 1.00 54.23 ATOM 110 HD2 HIS 7 -1.523 1.446 30.516 1.00 74.42 ATOM 111 CE1 HIS 7 -2.803 -0.260 32.942 1.00 33.01 ATOM 112 HE1 HIS 7 -3.061 -0.473 33.968 1.00 55.40 ATOM 113 NE2 HIS 7 -2.149 0.802 32.515 1.00 51.12 ATOM 114 HE2 HIS 7 -1.971 1.605 33.054 1.00 37.52 ATOM 115 C HIS 7 -0.380 -0.735 28.665 1.00 23.32 ATOM 116 O HIS 7 0.538 -0.638 29.482 1.00 12.22 ATOM 117 N HIS 8 -0.452 0.021 27.572 1.00 0.12 ATOM 118 HN HIS 8 -1.206 -0.108 26.958 1.00 37.52 ATOM 119 CA HIS 8 0.562 1.031 27.249 1.00 74.21 ATOM 120 HA HIS 8 1.397 0.891 27.924 1.00 33.50 ATOM 121 CB HIS 8 1.054 0.824 25.807 1.00 21.11 ATOM 122 HB1 HIS 8 0.202 0.799 25.142 1.00 37.52 ATOM 123 HB2 HIS 8 1.575 -0.120 25.745 1.00 64.01 ATOM 124 CG HIS 8 1.988 1.892 25.319 1.00 34.13 ATOM 125 ND1 HIS 8 1.767 2.605 24.163 1.00 22.42 ATOM 126 HD1 HIS 8 1.008 2.486 23.552 1.00 2.52 ATOM 127 CD2 HIS 8 3.148 2.368 25.831 1.00 14.41 ATOM 128 HD2 HIS 8 3.628 2.042 26.743 1.00 70.00 ATOM 129 CE1 HIS 8 2.741 3.467 23.984 1.00 21.12 ATOM 130 HE1 HIS 8 2.829 4.154 23.156 1.00 12.22 ATOM 131 NE2 HIS 8 3.594 3.348 24.980 1.00 22.44 ATOM 132 HE2 HIS 8 4.297 4.000 25.189 1.00 37.52 ATOM 133 C HIS 8 0.022 2.461 27.432 1.00 11.35 ATOM 134 O HIS 8 0.638 3.291 28.109 1.00 53.15 ATOM 135 N SER 9 -1.131 2.743 26.835 1.00 41.21 ATOM 136 HN SER 9 -1.617 2.027 26.376 1.00 37.52 ATOM 137 CA SER 9 -1.703 4.096 26.852 1.00 33.12 ATOM 138 HA SER 9 -1.216 4.651 27.642 1.00 25.05 ATOM 139 CB SER 9 -1.435 4.808 25.519 1.00 72.15 ATOM 140 HB1 SER 9 -1.898 5.785 25.537 1.00 37.52 ATOM 141 HB2 SER 9 -1.855 4.230 24.710 1.00 24.12 ATOM 142 OG SER 9 -0.042 4.967 25.285 1.00 64.44 ATOM 143 HG SER 9 0.085 5.384 24.421 1.00 72.11 ATOM 144 C SER 9 -3.211 4.083 27.128 1.00 71.14 ATOM 145 O SER 9 -3.878 3.058 26.986 1.00 3.34 ATOM 146 N HIS 10 -3.730 5.237 27.545 1.00 31.32 ATOM 147 HN HIS 10 -3.122 5.987 27.719 1.00 37.52 ATOM 148 CA HIS 10 -5.168 5.431 27.762 1.00 61.12 ATOM 149 HA HIS 10 -5.686 5.028 26.901 1.00 13.11 ATOM 150 CB HIS 10 -5.643 4.684 29.022 1.00 52.41 ATOM 151 HB1 HIS 10 -5.516 3.621 28.867 1.00 37.52 ATOM 152 HB2 HIS 10 -6.690 4.892 29.180 1.00 33.34 ATOM 153 CG HIS 10 -4.910 5.059 30.278 1.00 11.30 ATOM 154 ND1 HIS 10 -5.217 6.175 31.029 1.00 14.04 ATOM 155 HD1 HIS 10 -5.907 6.839 30.813 1.00 50.54 ATOM 156 CD2 HIS 10 -3.887 4.451 30.925 1.00 10.34 ATOM 157 HD2 HIS 10 -3.383 3.544 30.619 1.00 61.12 ATOM 158 CE1 HIS 10 -4.419 6.235 32.077 1.00 61.23 ATOM 159 HE1 HIS 10 -4.429 7.004 32.835 1.00 15.14 ATOM 160 NE2 HIS 10 -3.605 5.202 32.039 1.00 0.12 ATOM 161 HE2 HIS 10 -3.058 4.896 32.797 1.00 37.52 ATOM 162 C HIS 10 -5.502 6.927 27.878 1.00 2.14 ATOM 163 O HIS 10 -4.993 7.616 28.762 1.00 15.43 ATOM 164 N MET 11 -6.352 7.428 26.981 1.00 51.35 ATOM 165 HN MET 11 -6.730 6.833 26.298 1.00 37.52 ATOM 166 CA MET 11 -6.748 8.844 26.992 1.00 23.34 ATOM 167 HA MET 11 -7.130 9.066 27.979 1.00 33.32 ATOM 168 CB MET 11 -5.539 9.752 26.715 1.00 70.21 ATOM 169 HB1 MET 11 -4.817 9.617 27.508 1.00 37.52 ATOM 170 HB2 MET 11 -5.867 10.781 26.715 1.00 54.40 ATOM 171 CG MET 11 -4.844 9.476 25.387 1.00 31.23 ATOM 172 HG1 MET 11 -5.560 9.598 24.586 1.00 37.52 ATOM 173 HG2 MET 11 -4.478 8.459 25.389 1.00 44.23 ATOM 174 SD MET 11 -3.455 10.589 25.094 1.00 12.54 ATOM 175 CE MET 11 -2.845 9.965 23.527 1.00 54.43 ATOM 176 HE1 MET 11 -3.621 10.044 22.779 1.00 1.43 ATOM 177 HE2 MET 11 -2.556 8.931 23.639 1.00 54.01 ATOM 178 HE3 MET 11 -1.988 10.546 23.218 1.00 22.50 ATOM 179 C MET 11 -7.855 9.137 25.964 1.00 14.14 ATOM 180 O MET 11 -8.039 8.390 25.002 1.00 75.24 ATOM 181 N ALA 12 -8.581 10.235 26.175 1.00 31.53 ATOM 182 HN ALA 12 -8.406 10.769 26.976 1.00 37.52 ATOM 183 CA ALA 12 -9.639 10.665 25.251 1.00 71.34 ATOM 184 HA ALA 12 -9.828 9.856 24.557 1.00 71.33 ATOM 185 CB ALA 12 -10.928 10.935 26.022 1.00 11.32 ATOM 186 HB1 ALA 12 -11.722 11.178 25.329 1.00 12.04 ATOM 187 HB2 ALA 12 -10.777 11.762 26.701 1.00 60.14 ATOM 188 HB3 ALA 12 -11.200 10.055 26.585 1.00 61.03 ATOM 189 C ALA 12 -9.219 11.910 24.453 1.00 30.33 ATOM 190 O ALA 12 -8.602 12.832 24.994 1.00 55.25 ATOM 191 N LYS 13 -9.544 11.926 23.163 1.00 44.32 ATOM 192 HN LYS 13 -10.004 11.148 22.782 1.00 37.52 ATOM 193 CA LYS 13 -9.230 13.066 22.291 1.00 12.14 ATOM 194 HA LYS 13 -8.398 13.598 22.727 1.00 13.15 ATOM 195 CB LYS 13 -8.821 12.564 20.898 1.00 74.15 ATOM 196 HB1 LYS 13 -8.626 13.416 20.260 1.00 37.52 ATOM 197 HB2 LYS 13 -9.642 11.997 20.479 1.00 53.14 ATOM 198 CG LYS 13 -7.579 11.674 20.902 1.00 64.11 ATOM 199 HG1 LYS 13 -7.365 11.377 19.885 1.00 37.52 ATOM 200 HG2 LYS 13 -7.783 10.794 21.495 1.00 23.12 ATOM 201 CD LYS 13 -6.350 12.382 21.479 1.00 71.12 ATOM 202 HD1 LYS 13 -5.512 11.697 21.459 1.00 37.52 ATOM 203 HD2 LYS 13 -6.554 12.667 22.503 1.00 32.12 ATOM 204 CE LYS 13 -5.985 13.634 20.684 1.00 61.03 ATOM 205 HE1 LYS 13 -5.132 14.107 21.150 1.00 37.52 ATOM 206 HE2 LYS 13 -6.823 14.315 20.703 1.00 33.33 ATOM 207 NZ LYS 13 -5.651 13.325 19.269 1.00 23.22 ATOM 208 HZ1 LYS 13 -6.478 12.921 18.783 1.00 64.04 ATOM 209 HZ2 LYS 13 -4.870 12.641 19.223 1.00 31.15 ATOM 210 HZ3 LYS 13 -5.364 14.193 18.773 1.00 35.43 ATOM 211 C LYS 13 -10.422 14.032 22.173 1.00 51.01 ATOM 212 O LYS 13 -11.577 13.616 22.286 1.00 42.11 ATOM 213 N PRO 14 -10.157 15.338 21.942 1.00 35.40 ATOM 214 CA PRO 14 -11.219 16.352 21.808 1.00 70.10 ATOM 215 HA PRO 14 -11.862 16.356 22.678 1.00 14.31 ATOM 216 CB PRO 14 -10.442 17.678 21.742 1.00 73.20 ATOM 217 HB1 PRO 14 -10.391 18.118 22.728 1.00 37.52 ATOM 218 HB2 PRO 14 -10.937 18.362 21.066 1.00 43.44 ATOM 219 CG PRO 14 -9.087 17.304 21.246 1.00 61.13 ATOM 220 HG1 PRO 14 -8.354 18.011 21.608 1.00 37.52 ATOM 221 HG2 PRO 14 -9.084 17.282 20.164 1.00 43.14 ATOM 222 CD PRO 14 -8.809 15.932 21.799 1.00 63.10 ATOM 223 HD1 PRO 14 -8.319 16.004 22.759 1.00 37.52 ATOM 224 HD2 PRO 14 -8.205 15.360 21.108 1.00 22.13 ATOM 225 C PRO 14 -12.082 16.157 20.545 1.00 74.02 ATOM 226 O PRO 14 -11.571 15.879 19.454 1.00 72.34 ATOM 227 N THR 15 -13.396 16.302 20.705 1.00 32.43 ATOM 228 HN THR 15 -13.742 16.520 21.598 1.00 37.52 ATOM 229 CA THR 15 -14.346 16.140 19.595 1.00 12.31 ATOM 230 HA THR 15 -13.970 15.366 18.940 1.00 14.11 ATOM 231 CB THR 15 -15.739 15.698 20.113 1.00 12.53 ATOM 232 HB THR 15 -16.149 16.491 20.727 1.00 54.22 ATOM 233 OG1 THR 15 -15.616 14.508 20.911 1.00 63.43 ATOM 234 HG1 THR 15 -16.492 14.240 21.221 1.00 34.53 ATOM 235 CG2 THR 15 -16.697 15.432 18.958 1.00 11.42 ATOM 236 HG21 THR 15 -16.296 14.650 18.330 1.00 22.22 ATOM 237 HG22 THR 15 -16.822 16.335 18.376 1.00 44.01 ATOM 238 HG23 THR 15 -17.655 15.121 19.348 1.00 42.41 ATOM 239 C THR 15 -14.498 17.442 18.795 1.00 43.13 ATOM 240 O THR 15 -15.090 18.409 19.275 1.00 71.41 ATOM 241 N ALA 16 -13.965 17.463 17.575 1.00 65.43 ATOM 242 HN ALA 16 -13.546 16.649 17.226 1.00 37.52 ATOM 243 CA ALA 16 -13.994 18.666 16.734 1.00 62.45 ATOM 244 HA ALA 16 -13.898 19.526 17.383 1.00 75.40 ATOM 245 CB ALA 16 -12.803 18.666 15.775 1.00 71.32 ATOM 246 HB1 ALA 16 -12.895 17.840 15.085 1.00 71.10 ATOM 247 HB2 ALA 16 -11.885 18.564 16.337 1.00 40.30 ATOM 248 HB3 ALA 16 -12.783 19.595 15.221 1.00 43.53 ATOM 249 C ALA 16 -15.314 18.782 15.953 1.00 73.12 ATOM 250 O ALA 16 -15.616 17.945 15.104 1.00 12.22 ATOM 251 N ARG 17 -16.100 19.819 16.248 1.00 12.34 ATOM 252 HN ARG 17 -15.812 20.450 16.940 1.00 37.52 ATOM 253 CA ARG 17 -17.384 20.044 15.565 1.00 13.31 ATOM 254 HA ARG 17 -17.584 19.186 14.938 1.00 53.35 ATOM 255 CB ARG 17 -18.514 20.180 16.596 1.00 74.04 ATOM 256 HB1 ARG 17 -19.459 20.244 16.073 1.00 37.52 ATOM 257 HB2 ARG 17 -18.364 21.092 17.159 1.00 74.43 ATOM 258 CG ARG 17 -18.593 19.020 17.585 1.00 63.41 ATOM 259 HG1 ARG 17 -17.689 19.003 18.179 1.00 37.52 ATOM 260 HG2 ARG 17 -18.680 18.094 17.034 1.00 60.05 ATOM 261 CD ARG 17 -19.795 19.154 18.514 1.00 54.22 ATOM 262 HD1 ARG 17 -19.704 18.424 19.308 1.00 37.52 ATOM 263 HD2 ARG 17 -20.694 18.957 17.949 1.00 44.55 ATOM 264 NE ARG 17 -19.892 20.490 19.100 1.00 24.52 ATOM 265 HE ARG 17 -19.798 21.255 18.498 1.00 35.14 ATOM 266 CZ ARG 17 -20.114 20.731 20.360 1.00 14.44 ATOM 267 NH1 ARG 17 -20.228 19.762 21.215 1.00 74.25 ATOM 268 HH11 ARG 17 -20.144 18.817 20.913 1.00 12.52 ATOM 269 HH12 ARG 17 -20.401 19.967 22.178 1.00 72.51 ATOM 270 NH2 ARG 17 -20.214 21.954 20.764 1.00 35.34 ATOM 271 HH21 ARG 17 -20.124 22.701 20.109 1.00 23.35 ATOM 272 HH22 ARG 17 -20.372 22.149 21.730 1.00 0.54 ATOM 273 C ARG 17 -17.334 21.296 14.673 1.00 54.32 ATOM 274 O ARG 17 -16.366 22.059 14.712 1.00 31.20 ATOM 275 N GLY 18 -18.380 21.500 13.872 1.00 51.13 ATOM 276 HN GLY 18 -19.122 20.858 13.882 1.00 37.52 ATOM 277 CA GLY 18 -18.438 22.660 12.985 1.00 3.42 ATOM 278 HA1 GLY 18 -17.793 22.479 12.137 1.00 37.52 ATOM 279 HA2 GLY 18 -18.072 23.524 13.520 1.00 71.24 ATOM 280 C GLY 18 -19.846 22.961 12.477 1.00 40.50 ATOM 281 O GLY 18 -20.649 22.048 12.258 1.00 1.34 ATOM 282 N GLU 19 -20.150 24.243 12.279 1.00 41.22 ATOM 283 HN GLU 19 -19.469 24.930 12.457 1.00 37.52 ATOM 284 CA GLU 19 -21.474 24.657 11.798 1.00 44.02 ATOM 285 HA GLU 19 -21.927 23.807 11.306 1.00 33.10 ATOM 286 CB GLU 19 -22.364 25.074 12.979 1.00 24.42 ATOM 287 HB1 GLU 19 -21.872 25.870 13.521 1.00 37.52 ATOM 288 HB2 GLU 19 -22.486 24.226 13.639 1.00 13.24 ATOM 289 CG GLU 19 -23.753 25.564 12.567 1.00 62.40 ATOM 290 HG1 GLU 19 -24.233 24.793 11.979 1.00 37.52 ATOM 291 HG2 GLU 19 -23.643 26.455 11.964 1.00 73.31 ATOM 292 CD GLU 19 -24.634 25.891 13.759 1.00 41.45 ATOM 293 OE1 GLU 19 -24.561 27.029 14.264 1.00 51.41 ATOM 294 OE2 GLU 19 -25.391 25.004 14.206 1.00 53.41 ATOM 295 C GLU 19 -21.381 25.807 10.788 1.00 42.05 ATOM 296 O GLU 19 -20.568 26.722 10.936 1.00 72.10 ATOM 297 N ALA 20 -22.229 25.750 9.764 1.00 15.11 ATOM 298 HN ALA 20 -22.831 24.979 9.694 1.00 37.52 ATOM 299 CA ALA 20 -22.291 26.791 8.735 1.00 31.14 ATOM 300 HA ALA 20 -21.883 27.703 9.152 1.00 24.12 ATOM 301 CB ALA 20 -21.435 26.386 7.543 1.00 44.24 ATOM 302 HB1 ALA 20 -20.424 26.199 7.873 1.00 34.02 ATOM 303 HB2 ALA 20 -21.432 27.183 6.813 1.00 44.45 ATOM 304 HB3 ALA 20 -21.839 25.489 7.093 1.00 61.13 ATOM 305 C ALA 20 -23.745 27.051 8.302 1.00 35.32 ATOM 306 O ALA 20 -24.606 26.173 8.426 1.00 21.54 ATOM 307 N GLY 21 -24.019 28.255 7.794 1.00 24.15 ATOM 308 HN GLY 21 -23.290 28.903 7.675 1.00 37.52 ATOM 309 CA GLY 21 -25.391 28.625 7.428 1.00 42.01 ATOM 310 HA1 GLY 21 -25.728 29.396 8.105 1.00 37.52 ATOM 311 HA2 GLY 21 -26.031 27.761 7.552 1.00 42.44 ATOM 312 C GLY 21 -25.540 29.133 5.993 1.00 71.35 ATOM 313 O GLY 21 -25.548 30.343 5.755 1.00 1.54 ATOM 314 N SER 22 -25.676 28.203 5.041 1.00 44.21 ATOM 315 HN SER 22 -25.628 27.257 5.297 1.00 37.52 ATOM 316 CA SER 22 -25.904 28.542 3.624 1.00 30.42 ATOM 317 HA SER 22 -26.853 29.052 3.560 1.00 54.14 ATOM 318 CB SER 22 -24.807 29.469 3.076 1.00 30.31 ATOM 319 HB1 SER 22 -23.843 28.998 3.197 1.00 37.52 ATOM 320 HB2 SER 22 -24.821 30.403 3.619 1.00 1.32 ATOM 321 OG SER 22 -25.013 29.740 1.696 1.00 12.44 ATOM 322 HG SER 22 -24.221 30.156 1.328 1.00 71.33 ATOM 323 C SER 22 -25.966 27.286 2.746 1.00 34.24 ATOM 324 O SER 22 -25.362 26.258 3.065 1.00 13.41 ATOM 325 N ARG 23 -26.685 27.380 1.626 1.00 72.35 ATOM 326 HN ARG 23 -27.154 28.220 1.434 1.00 37.52 ATOM 327 CA ARG 23 -26.785 26.269 0.671 1.00 54.11 ATOM 328 HA ARG 23 -27.234 25.428 1.182 1.00 14.45 ATOM 329 CB ARG 23 -27.671 26.666 -0.523 1.00 35.02 ATOM 330 HB1 ARG 23 -27.221 27.514 -1.022 1.00 37.52 ATOM 331 HB2 ARG 23 -28.645 26.957 -0.156 1.00 52.22 ATOM 332 CG ARG 23 -27.859 25.551 -1.553 1.00 11.11 ATOM 333 HG1 ARG 23 -26.897 25.097 -1.754 1.00 37.52 ATOM 334 HG2 ARG 23 -28.249 25.980 -2.466 1.00 70.40 ATOM 335 CD ARG 23 -28.827 24.474 -1.071 1.00 41.31 ATOM 336 HD1 ARG 23 -28.587 24.218 -0.048 1.00 37.52 ATOM 337 HD2 ARG 23 -28.713 23.601 -1.696 1.00 43.14 ATOM 338 NE ARG 23 -30.217 24.925 -1.138 1.00 14.43 ATOM 339 HE ARG 23 -30.407 25.711 -1.690 1.00 51.15 ATOM 340 CZ ARG 23 -31.220 24.336 -0.544 1.00 4.42 ATOM 341 NH1 ARG 23 -31.029 23.298 0.207 1.00 73.13 ATOM 342 HH11 ARG 23 -30.111 22.934 0.334 1.00 43.24 ATOM 343 HH12 ARG 23 -31.805 22.855 0.651 1.00 71.02 ATOM 344 NH2 ARG 23 -32.420 24.794 -0.703 1.00 15.11 ATOM 345 HH21 ARG 23 -32.577 25.591 -1.286 1.00 31.52 ATOM 346 HH22 ARG 23 -33.190 24.348 -0.249 1.00 32.42 ATOM 347 C ARG 23 -25.392 25.862 0.163 1.00 52.03 ATOM 348 O ARG 23 -25.085 24.676 0.022 1.00 53.42 ATOM 349 N ASP 24 -24.554 26.863 -0.100 1.00 2.22 ATOM 350 HN ASP 24 -24.860 27.787 0.045 1.00 37.52 ATOM 351 CA ASP 24 -23.192 26.637 -0.604 1.00 21.22 ATOM 352 HA ASP 24 -23.266 26.036 -1.501 1.00 44.14 ATOM 353 CB ASP 24 -22.550 27.982 -0.958 1.00 70.42 ATOM 354 HB1 ASP 24 -21.682 27.812 -1.579 1.00 37.52 ATOM 355 HB2 ASP 24 -22.244 28.486 -0.049 1.00 11.41 ATOM 356 CG ASP 24 -23.516 28.878 -1.712 1.00 30.23 ATOM 357 OD1 ASP 24 -24.040 29.834 -1.106 1.00 11.32 ATOM 358 OD2 ASP 24 -23.787 28.603 -2.898 1.00 12.24 ATOM 359 C ASP 24 -22.335 25.890 0.431 1.00 31.55 ATOM 360 O ASP 24 -21.577 24.976 0.094 1.00 54.24 ATOM 361 N GLU 25 -22.480 26.283 1.695 1.00 33.44 ATOM 362 HN GLU 25 -23.075 27.036 1.884 1.00 37.52 ATOM 363 CA GLU 25 -21.780 25.635 2.811 1.00 11.30 ATOM 364 HA GLU 25 -20.718 25.780 2.670 1.00 54.41 ATOM 365 CB GLU 25 -22.205 26.291 4.134 1.00 5.13 ATOM 366 HB1 GLU 25 -21.684 25.805 4.946 1.00 37.52 ATOM 367 HB2 GLU 25 -23.268 26.144 4.267 1.00 51.13 ATOM 368 CG GLU 25 -21.916 27.793 4.213 1.00 12.35 ATOM 369 HG1 GLU 25 -22.556 28.224 4.972 1.00 37.52 ATOM 370 HG2 GLU 25 -22.154 28.239 3.259 1.00 74.25 ATOM 371 CD GLU 25 -20.467 28.128 4.548 1.00 72.31 ATOM 372 OE1 GLU 25 -19.554 27.643 3.854 1.00 53.14 ATOM 373 OE2 GLU 25 -20.240 28.907 5.501 1.00 23.33 ATOM 374 C GLU 25 -22.078 24.126 2.853 1.00 33.42 ATOM 375 O GLU 25 -21.187 23.309 3.097 1.00 40.13 ATOM 376 N ARG 26 -23.336 23.764 2.595 1.00 44.31 ATOM 377 HN ARG 26 -24.005 24.462 2.427 1.00 37.52 ATOM 378 CA ARG 26 -23.747 22.355 2.553 1.00 45.34 ATOM 379 HA ARG 26 -23.536 21.923 3.523 1.00 74.01 ATOM 380 CB ARG 26 -25.256 22.251 2.282 1.00 63.50 ATOM 381 HB1 ARG 26 -25.523 21.209 2.179 1.00 37.52 ATOM 382 HB2 ARG 26 -25.478 22.763 1.358 1.00 0.32 ATOM 383 CG ARG 26 -26.118 22.858 3.386 1.00 3.22 ATOM 384 HG1 ARG 26 -27.157 22.809 3.089 1.00 37.52 ATOM 385 HG2 ARG 26 -25.833 23.891 3.528 1.00 33.10 ATOM 386 CD ARG 26 -25.945 22.110 4.704 1.00 20.52 ATOM 387 HD1 ARG 26 -24.895 22.094 4.957 1.00 37.52 ATOM 388 HD2 ARG 26 -26.295 21.095 4.575 1.00 31.03 ATOM 389 NE ARG 26 -26.687 22.734 5.800 1.00 3.04 ATOM 390 HE ARG 26 -26.929 23.679 5.706 1.00 4.52 ATOM 391 CZ ARG 26 -27.033 22.113 6.898 1.00 72.23 ATOM 392 NH1 ARG 26 -26.757 20.858 7.063 1.00 42.40 ATOM 393 HH11 ARG 26 -26.279 20.354 6.345 1.00 42.51 ATOM 394 HH12 ARG 26 -27.024 20.392 7.907 1.00 75.04 ATOM 395 NH2 ARG 26 -27.659 22.751 7.829 1.00 34.42 ATOM 396 HH21 ARG 26 -27.878 23.720 7.711 1.00 53.23 ATOM 397 HH22 ARG 26 -27.930 22.275 8.662 1.00 53.03 ATOM 398 C ARG 26 -22.954 21.575 1.491 1.00 55.24 ATOM 399 O ARG 26 -22.538 20.438 1.722 1.00 42.40 ATOM 400 N ARG 27 -22.736 22.201 0.334 1.00 32.30 ATOM 401 HN ARG 27 -23.144 23.082 0.190 1.00 37.52 ATOM 402 CA ARG 27 -21.904 21.615 -0.726 1.00 30.14 ATOM 403 HA ARG 27 -22.310 20.643 -0.973 1.00 1.52 ATOM 404 CB ARG 27 -21.935 22.507 -1.978 1.00 24.31 ATOM 405 HB1 ARG 27 -21.229 22.116 -2.699 1.00 37.52 ATOM 406 HB2 ARG 27 -21.627 23.505 -1.699 1.00 52.21 ATOM 407 CG ARG 27 -23.303 22.605 -2.655 1.00 14.21 ATOM 408 HG1 ARG 27 -23.328 23.502 -3.261 1.00 37.52 ATOM 409 HG2 ARG 27 -24.066 22.669 -1.892 1.00 32.31 ATOM 410 CD ARG 27 -23.599 21.396 -3.546 1.00 61.23 ATOM 411 HD1 ARG 27 -22.802 21.301 -4.271 1.00 37.52 ATOM 412 HD2 ARG 27 -24.530 21.572 -4.067 1.00 33.51 ATOM 413 NE ARG 27 -23.713 20.141 -2.797 1.00 53.33 ATOM 414 HE ARG 27 -23.824 20.200 -1.828 1.00 73.24 ATOM 415 CZ ARG 27 -23.683 18.955 -3.349 1.00 54.41 ATOM 416 NH1 ARG 27 -23.586 18.830 -4.632 1.00 33.31 ATOM 417 HH11 ARG 27 -23.538 19.642 -5.210 1.00 30.00 ATOM 418 HH12 ARG 27 -23.556 17.922 -5.045 1.00 35.44 ATOM 419 NH2 ARG 27 -23.784 17.893 -2.617 1.00 41.35 ATOM 420 HH21 ARG 27 -23.880 17.975 -1.629 1.00 64.42 ATOM 421 HH22 ARG 27 -23.780 16.991 -3.045 1.00 52.11 ATOM 422 C ARG 27 -20.452 21.444 -0.248 1.00 35.05 ATOM 423 O ARG 27 -19.830 20.397 -0.459 1.00 62.25 ATOM 424 N ALA 28 -19.928 22.479 0.407 1.00 24.02 ATOM 425 HN ALA 28 -20.485 23.276 0.553 1.00 37.52 ATOM 426 CA ALA 28 -18.550 22.477 0.914 1.00 0.50 ATOM 427 HA ALA 28 -17.888 22.356 0.067 1.00 73.24 ATOM 428 CB ALA 28 -18.232 23.817 1.569 1.00 62.35 ATOM 429 HB1 ALA 28 -17.189 23.844 1.856 1.00 13.51 ATOM 430 HB2 ALA 28 -18.850 23.945 2.447 1.00 15.11 ATOM 431 HB3 ALA 28 -18.431 24.616 0.871 1.00 60.02 ATOM 432 C ALA 28 -18.300 21.328 1.905 1.00 41.45 ATOM 433 O ALA 28 -17.422 20.488 1.689 1.00 42.41 ATOM 434 N LEU 29 -19.078 21.288 2.987 1.00 22.05 ATOM 435 HN LEU 29 -19.775 21.974 3.101 1.00 37.52 ATOM 436 CA LEU 29 -18.916 20.251 4.016 1.00 4.31 ATOM 437 HA LEU 29 -17.873 20.259 4.310 1.00 31.04 ATOM 438 CB LEU 29 -19.768 20.585 5.260 1.00 20.14 ATOM 439 HB1 LEU 29 -19.384 21.501 5.687 1.00 37.52 ATOM 440 HB2 LEU 29 -19.626 19.795 5.985 1.00 32.44 ATOM 441 CG LEU 29 -21.285 20.764 5.032 1.00 54.24 ATOM 442 HG LEU 29 -21.440 21.215 4.061 1.00 70.24 ATOM 443 CD1 LEU 29 -22.011 19.421 5.034 1.00 54.10 ATOM 444 HD11 LEU 29 -21.628 18.802 4.234 1.00 54.53 ATOM 445 HD12 LEU 29 -23.070 19.581 4.889 1.00 2.40 ATOM 446 HD13 LEU 29 -21.848 18.923 5.979 1.00 45.31 ATOM 447 CD2 LEU 29 -21.883 21.704 6.080 1.00 40.53 ATOM 448 HD21 LEU 29 -21.378 22.660 6.038 1.00 20.14 ATOM 449 HD22 LEU 29 -21.761 21.277 7.065 1.00 61.33 ATOM 450 HD23 LEU 29 -22.935 21.846 5.879 1.00 1.04 ATOM 451 C LEU 29 -19.242 18.848 3.470 1.00 63.13 ATOM 452 O LEU 29 -18.700 17.846 3.943 1.00 15.21 ATOM 453 N ALA 30 -20.121 18.780 2.469 1.00 64.53 ATOM 454 HN ALA 30 -20.569 19.601 2.171 1.00 37.52 ATOM 455 CA ALA 30 -20.444 17.510 1.808 1.00 71.31 ATOM 456 HA ALA 30 -20.754 16.805 2.570 1.00 44.50 ATOM 457 CB ALA 30 -21.603 17.699 0.837 1.00 14.20 ATOM 458 HB1 ALA 30 -22.447 18.120 1.364 1.00 52.15 ATOM 459 HB2 ALA 30 -21.884 16.744 0.416 1.00 25.30 ATOM 460 HB3 ALA 30 -21.304 18.369 0.044 1.00 34.04 ATOM 461 C ALA 30 -19.222 16.938 1.073 1.00 54.35 ATOM 462 O ALA 30 -19.012 15.723 1.043 1.00 11.31 ATOM 463 N MET 31 -18.421 17.823 0.475 1.00 44.35 ATOM 464 HN MET 31 -18.665 18.774 0.495 1.00 37.52 ATOM 465 CA MET 31 -17.190 17.418 -0.219 1.00 72.22 ATOM 466 HA MET 31 -17.269 16.362 -0.446 1.00 41.52 ATOM 467 CB MET 31 -17.050 18.198 -1.531 1.00 54.31 ATOM 468 HB1 MET 31 -16.120 17.920 -2.008 1.00 37.52 ATOM 469 HB2 MET 31 -17.025 19.255 -1.305 1.00 21.11 ATOM 470 CG MET 31 -18.187 17.947 -2.516 1.00 42.05 ATOM 471 HG1 MET 31 -18.030 18.566 -3.388 1.00 37.52 ATOM 472 HG2 MET 31 -19.119 18.227 -2.047 1.00 64.32 ATOM 473 SD MET 31 -18.297 16.220 -3.045 1.00 54.11 ATOM 474 CE MET 31 -16.737 16.027 -3.901 1.00 62.34 ATOM 475 HE1 MET 31 -16.673 15.026 -4.301 1.00 40.34 ATOM 476 HE2 MET 31 -15.926 16.195 -3.208 1.00 0.43 ATOM 477 HE3 MET 31 -16.676 16.742 -4.708 1.00 31.54 ATOM 478 C MET 31 -15.950 17.634 0.667 1.00 72.33 ATOM 479 O MET 31 -14.815 17.570 0.190 1.00 11.41 ATOM 480 N LYS 32 -16.189 17.905 1.956 1.00 24.12 ATOM 481 HN LYS 32 -17.117 18.034 2.241 1.00 37.52 ATOM 482 CA LYS 32 -15.123 18.022 2.963 1.00 72.23 ATOM 483 HA LYS 32 -15.591 18.341 3.884 1.00 51.43 ATOM 484 CB LYS 32 -14.486 16.646 3.197 1.00 44.21 ATOM 485 HB1 LYS 32 -13.677 16.747 3.906 1.00 37.52 ATOM 486 HB2 LYS 32 -14.093 16.278 2.259 1.00 21.33 ATOM 487 CG LYS 32 -15.478 15.622 3.740 1.00 64.15 ATOM 488 HG1 LYS 32 -16.336 15.587 3.082 1.00 37.52 ATOM 489 HG2 LYS 32 -15.796 15.935 4.724 1.00 4.11 ATOM 490 CD LYS 32 -14.877 14.226 3.842 1.00 52.34 ATOM 491 HD1 LYS 32 -14.030 14.257 4.512 1.00 37.52 ATOM 492 HD2 LYS 32 -14.550 13.912 2.860 1.00 15.31 ATOM 493 CE LYS 32 -15.891 13.217 4.372 1.00 42.43 ATOM 494 HE1 LYS 32 -16.777 13.245 3.751 1.00 37.52 ATOM 495 HE2 LYS 32 -16.155 13.484 5.385 1.00 63.40 ATOM 496 NZ LYS 32 -15.348 11.838 4.371 1.00 13.30 ATOM 497 HZ1 LYS 32 -16.054 11.176 4.749 1.00 0.54 ATOM 498 HZ2 LYS 32 -14.496 11.788 4.961 1.00 63.22 ATOM 499 HZ3 LYS 32 -15.104 11.548 3.400 1.00 45.52 ATOM 500 C LYS 32 -14.063 19.073 2.585 1.00 13.31 ATOM 501 O LYS 32 -12.857 18.821 2.654 1.00 1.42 ATOM 502 N ILE 33 -14.533 20.257 2.193 1.00 41.42 ATOM 503 HN ILE 33 -15.502 20.370 2.095 1.00 37.52 ATOM 504 CA ILE 33 -13.653 21.393 1.897 1.00 1.30 ATOM 505 HA ILE 33 -12.819 21.023 1.316 1.00 65.33 ATOM 506 CB ILE 33 -14.396 22.465 1.056 1.00 64.24 ATOM 507 HB ILE 33 -15.250 22.803 1.628 1.00 1.33 ATOM 508 CG1 ILE 33 -14.897 21.863 -0.272 1.00 4.01 ATOM 509 HG11 ILE 33 -15.406 22.631 -0.838 1.00 37.52 ATOM 510 HG12 ILE 33 -15.592 21.065 -0.058 1.00 11.12 ATOM 511 CG2 ILE 33 -13.502 23.677 0.796 1.00 13.23 ATOM 512 HG21 ILE 33 -13.207 24.119 1.737 1.00 21.55 ATOM 513 HG22 ILE 33 -14.043 24.407 0.210 1.00 21.33 ATOM 514 HG23 ILE 33 -12.619 23.365 0.255 1.00 24.51 ATOM 515 CD1 ILE 33 -13.797 21.292 -1.149 1.00 4.32 ATOM 516 HD11 ILE 33 -13.078 22.065 -1.377 1.00 72.21 ATOM 517 HD12 ILE 33 -14.227 20.921 -2.067 1.00 41.22 ATOM 518 HD13 ILE 33 -13.304 20.482 -0.631 1.00 70.43 ATOM 519 C ILE 33 -13.117 22.031 3.199 1.00 44.54 ATOM 520 O ILE 33 -13.891 22.510 4.029 1.00 41.51 ATOM 521 N PRO 34 -11.781 22.052 3.396 1.00 45.34 ATOM 522 CA PRO 34 -11.163 22.544 4.644 1.00 24.13 ATOM 523 HA PRO 34 -11.713 22.207 5.510 1.00 11.43 ATOM 524 CB PRO 34 -9.796 21.856 4.614 1.00 22.21 ATOM 525 HB1 PRO 34 -9.874 20.874 5.057 1.00 37.52 ATOM 526 HB2 PRO 34 -9.075 22.446 5.162 1.00 0.22 ATOM 527 CG PRO 34 -9.454 21.770 3.163 1.00 42.11 ATOM 528 HG1 PRO 34 -8.801 20.926 2.992 1.00 37.52 ATOM 529 HG2 PRO 34 -8.974 22.685 2.841 1.00 54.41 ATOM 530 CD PRO 34 -10.762 21.576 2.434 1.00 15.13 ATOM 531 HD1 PRO 34 -10.912 20.531 2.201 1.00 37.52 ATOM 532 HD2 PRO 34 -10.782 22.169 1.530 1.00 11.32 ATOM 533 C PRO 34 -11.001 24.080 4.717 1.00 1.11 ATOM 534 O PRO 34 -10.086 24.580 5.379 1.00 45.54 ATOM 535 N PHE 35 -11.886 24.824 4.053 1.00 34.35 ATOM 536 HN PHE 35 -12.572 24.382 3.514 1.00 37.52 ATOM 537 CA PHE 35 -11.868 26.296 4.120 1.00 73.25 ATOM 538 HA PHE 35 -11.642 26.559 5.145 1.00 61.33 ATOM 539 CB PHE 35 -10.758 26.876 3.217 1.00 44.02 ATOM 540 HB1 PHE 35 -9.801 26.698 3.690 1.00 37.52 ATOM 541 HB2 PHE 35 -10.904 27.941 3.122 1.00 45.42 ATOM 542 CG PHE 35 -10.698 26.296 1.823 1.00 52.23 ATOM 543 CD1 PHE 35 -9.854 25.230 1.536 1.00 22.22 ATOM 544 HD1 PHE 35 -9.247 24.808 2.323 1.00 44.53 ATOM 545 CD2 PHE 35 -11.471 26.821 0.799 1.00 21.43 ATOM 546 HD2 PHE 35 -12.131 27.653 1.005 1.00 13.51 ATOM 547 CE1 PHE 35 -9.787 24.703 0.262 1.00 53.04 ATOM 548 HE1 PHE 35 -9.126 23.874 0.055 1.00 12.13 ATOM 549 CE2 PHE 35 -11.406 26.293 -0.479 1.00 4.24 ATOM 550 HE2 PHE 35 -12.014 26.712 -1.267 1.00 61.54 ATOM 551 CZ PHE 35 -10.563 25.235 -0.747 1.00 51.31 ATOM 552 HZ PHE 35 -10.512 24.823 -1.745 1.00 75.45 ATOM 553 C PHE 35 -13.245 26.903 3.773 1.00 13.52 ATOM 554 O PHE 35 -13.965 26.379 2.921 1.00 60.25 ATOM 555 N PRO 36 -13.621 28.021 4.441 1.00 45.14 ATOM 556 CA PRO 36 -14.964 28.633 4.306 1.00 21.11 ATOM 557 HA PRO 36 -15.741 27.920 4.545 1.00 54.24 ATOM 558 CB PRO 36 -14.950 29.742 5.372 1.00 63.32 ATOM 559 HB1 PRO 36 -15.386 29.368 6.288 1.00 37.52 ATOM 560 HB2 PRO 36 -15.515 30.596 5.023 1.00 41.12 ATOM 561 CG PRO 36 -13.509 30.073 5.554 1.00 11.33 ATOM 562 HG1 PRO 36 -13.341 30.471 6.544 1.00 37.52 ATOM 563 HG2 PRO 36 -13.199 30.790 4.804 1.00 3.35 ATOM 564 CD PRO 36 -12.769 28.774 5.382 1.00 44.33 ATOM 565 HD1 PRO 36 -12.686 28.254 6.327 1.00 37.52 ATOM 566 HD2 PRO 36 -11.789 28.950 4.962 1.00 14.55 ATOM 567 C PRO 36 -15.247 29.226 2.911 1.00 51.43 ATOM 568 O PRO 36 -14.350 29.750 2.242 1.00 73.30 ATOM 569 N THR 37 -16.517 29.173 2.503 1.00 40.24 ATOM 570 HN THR 37 -17.196 28.819 3.117 1.00 37.52 ATOM 571 CA THR 37 -16.938 29.639 1.174 1.00 61.54 ATOM 572 HA THR 37 -16.252 29.221 0.452 1.00 70.04 ATOM 573 CB THR 37 -18.363 29.145 0.818 1.00 53.23 ATOM 574 HB THR 37 -18.612 29.501 -0.173 1.00 42.31 ATOM 575 OG1 THR 37 -19.321 29.669 1.753 1.00 2.44 ATOM 576 HG1 THR 37 -19.298 29.142 2.564 1.00 33.13 ATOM 577 CG2 THR 37 -18.431 27.618 0.814 1.00 63.34 ATOM 578 HG21 THR 37 -19.433 27.302 0.557 1.00 45.32 ATOM 579 HG22 THR 37 -18.180 27.244 1.796 1.00 71.51 ATOM 580 HG23 THR 37 -17.733 27.223 0.089 1.00 41.32 ATOM 581 C THR 37 -16.901 31.170 1.049 1.00 35.25 ATOM 582 O THR 37 -16.582 31.700 -0.018 1.00 30.24 ATOM 583 N ASP 38 -17.222 31.885 2.132 1.00 31.34 ATOM 584 HN ASP 38 -17.492 31.418 2.953 1.00 37.52 ATOM 585 CA ASP 38 -17.194 33.354 2.111 1.00 32.03 ATOM 586 HA ASP 38 -17.905 33.676 1.360 1.00 44.32 ATOM 587 CB ASP 38 -17.619 33.941 3.469 1.00 4.33 ATOM 588 HB1 ASP 38 -18.611 33.584 3.708 1.00 37.52 ATOM 589 HB2 ASP 38 -17.644 35.018 3.391 1.00 15.21 ATOM 590 CG ASP 38 -16.685 33.569 4.611 1.00 50.53 ATOM 591 OD1 ASP 38 -15.636 34.230 4.771 1.00 72.31 ATOM 592 OD2 ASP 38 -17.000 32.622 5.362 1.00 2.24 ATOM 593 C ASP 38 -15.803 33.873 1.705 1.00 73.13 ATOM 594 O ASP 38 -15.683 34.802 0.903 1.00 20.24 ATOM 595 N LYS 39 -14.757 33.253 2.248 1.00 54.51 ATOM 596 HN LYS 39 -14.914 32.553 2.918 1.00 37.52 ATOM 597 CA LYS 39 -13.383 33.594 1.881 1.00 35.43 ATOM 598 HA LYS 39 -13.241 34.646 2.086 1.00 50.51 ATOM 599 CB LYS 39 -12.388 32.781 2.727 1.00 34.54 ATOM 600 HB1 LYS 39 -12.560 31.727 2.550 1.00 37.52 ATOM 601 HB2 LYS 39 -12.570 32.992 3.771 1.00 65.33 ATOM 602 CG LYS 39 -10.921 33.083 2.426 1.00 55.03 ATOM 603 HG1 LYS 39 -10.765 34.152 2.482 1.00 37.52 ATOM 604 HG2 LYS 39 -10.693 32.740 1.426 1.00 63.31 ATOM 605 CD LYS 39 -9.975 32.391 3.413 1.00 70.34 ATOM 606 HD1 LYS 39 -8.952 32.566 3.103 1.00 37.52 ATOM 607 HD2 LYS 39 -10.174 31.328 3.405 1.00 33.30 ATOM 608 CE LYS 39 -10.160 32.916 4.835 1.00 44.13 ATOM 609 HE1 LYS 39 -11.175 32.717 5.152 1.00 37.52 ATOM 610 HE2 LYS 39 -9.989 33.984 4.838 1.00 54.40 ATOM 611 NZ LYS 39 -9.222 32.279 5.800 1.00 73.43 ATOM 612 HZ1 LYS 39 -8.237 32.462 5.520 1.00 0.14 ATOM 613 HZ2 LYS 39 -9.376 31.254 5.832 1.00 4.23 ATOM 614 HZ3 LYS 39 -9.372 32.671 6.753 1.00 70.40 ATOM 615 C LYS 39 -13.150 33.348 0.382 1.00 52.35 ATOM 616 O LYS 39 -12.653 34.220 -0.327 1.00 51.00 ATOM 617 N ILE 40 -13.547 32.164 -0.088 1.00 40.43 ATOM 618 HN ILE 40 -13.926 31.515 0.539 1.00 37.52 ATOM 619 CA ILE 40 -13.435 31.794 -1.509 1.00 64.23 ATOM 620 HA ILE 40 -12.388 31.644 -1.734 1.00 11.53 ATOM 621 CB ILE 40 -14.197 30.468 -1.793 1.00 51.41 ATOM 622 HB ILE 40 -15.234 30.618 -1.526 1.00 13.30 ATOM 623 CG1 ILE 40 -13.630 29.320 -0.941 1.00 63.34 ATOM 624 HG11 ILE 40 -13.638 29.614 0.101 1.00 37.52 ATOM 625 HG12 ILE 40 -12.611 29.123 -1.245 1.00 0.55 ATOM 626 CG2 ILE 40 -14.145 30.111 -3.280 1.00 31.34 ATOM 627 HG21 ILE 40 -14.685 29.191 -3.451 1.00 62.02 ATOM 628 HG22 ILE 40 -13.116 29.985 -3.585 1.00 24.21 ATOM 629 HG23 ILE 40 -14.596 30.904 -3.859 1.00 2.43 ATOM 630 CD1 ILE 40 -14.407 28.022 -1.066 1.00 62.03 ATOM 631 HD11 ILE 40 -14.397 27.691 -2.094 1.00 22.32 ATOM 632 HD12 ILE 40 -15.427 28.181 -0.750 1.00 63.21 ATOM 633 HD13 ILE 40 -13.951 27.269 -0.442 1.00 62.42 ATOM 634 C ILE 40 -13.999 32.892 -2.431 1.00 64.43 ATOM 635 O ILE 40 -13.373 33.278 -3.422 1.00 5.31 ATOM 636 N VAL 41 -15.184 33.391 -2.086 1.00 42.43 ATOM 637 HN VAL 41 -15.611 33.068 -1.262 1.00 37.52 ATOM 638 CA VAL 41 -15.875 34.396 -2.901 1.00 3.02 ATOM 639 HA VAL 41 -15.868 34.048 -3.925 1.00 43.54 ATOM 640 CB VAL 41 -17.354 34.548 -2.459 1.00 74.13 ATOM 641 HB VAL 41 -17.366 34.904 -1.437 1.00 14.40 ATOM 642 CG1 VAL 41 -18.088 35.575 -3.325 1.00 53.24 ATOM 643 HG11 VAL 41 -18.062 35.263 -4.359 1.00 54.15 ATOM 644 HG12 VAL 41 -17.608 36.538 -3.228 1.00 33.30 ATOM 645 HG13 VAL 41 -19.116 35.653 -3.000 1.00 22.42 ATOM 646 CG2 VAL 41 -18.066 33.196 -2.496 1.00 61.11 ATOM 647 HG21 VAL 41 -18.084 32.825 -3.510 1.00 2.12 ATOM 648 HG22 VAL 41 -19.079 33.309 -2.136 1.00 62.33 ATOM 649 HG23 VAL 41 -17.537 32.495 -1.867 1.00 31.04 ATOM 650 C VAL 41 -15.185 35.773 -2.846 1.00 23.42 ATOM 651 O VAL 41 -15.064 36.457 -3.865 1.00 24.31 ATOM 652 N ASN 42 -14.728 36.174 -1.660 1.00 73.01 ATOM 653 HN ASN 42 -14.774 35.559 -0.898 1.00 37.52 ATOM 654 CA ASN 42 -14.148 37.516 -1.474 1.00 73.20 ATOM 655 HA ASN 42 -14.616 38.167 -2.201 1.00 75.32 ATOM 656 CB ASN 42 -14.469 38.055 -0.076 1.00 53.53 ATOM 657 HB1 ASN 42 -13.935 38.983 0.077 1.00 37.52 ATOM 658 HB2 ASN 42 -14.150 37.336 0.665 1.00 52.11 ATOM 659 CG ASN 42 -15.953 38.319 0.111 1.00 31.03 ATOM 660 OD1 ASN 42 -16.459 39.379 -0.243 1.00 30.32 ATOM 661 ND2 ASN 42 -16.666 37.368 0.673 1.00 25.42 ATOM 662 HD21 ASN 42 -16.213 36.545 0.942 1.00 73.44 ATOM 663 HD22 ASN 42 -17.622 37.533 0.811 1.00 34.44 ATOM 664 C ASN 42 -12.629 37.556 -1.718 1.00 2.24 ATOM 665 O ASN 42 -12.018 38.626 -1.643 1.00 14.12 ATOM 666 N LEU 43 -12.016 36.407 -2.000 1.00 11.24 ATOM 667 HN LEU 43 -12.520 35.567 -1.944 1.00 37.52 ATOM 668 CA LEU 43 -10.596 36.371 -2.382 1.00 5.30 ATOM 669 HA LEU 43 -10.061 37.036 -1.716 1.00 62.13 ATOM 670 CB LEU 43 -10.018 34.949 -2.241 1.00 33.01 ATOM 671 HB1 LEU 43 -9.120 34.886 -2.842 1.00 37.52 ATOM 672 HB2 LEU 43 -10.742 34.252 -2.641 1.00 44.15 ATOM 673 CG LEU 43 -9.666 34.506 -0.812 1.00 72.24 ATOM 674 HG LEU 43 -10.563 34.516 -0.210 1.00 23.34 ATOM 675 CD1 LEU 43 -9.117 33.081 -0.806 1.00 64.20 ATOM 676 HD11 LEU 43 -8.857 32.799 0.205 1.00 13.22 ATOM 677 HD12 LEU 43 -8.238 33.027 -1.432 1.00 35.13 ATOM 678 HD13 LEU 43 -9.869 32.404 -1.184 1.00 34.34 ATOM 679 CD2 LEU 43 -8.665 35.474 -0.181 1.00 33.52 ATOM 680 HD21 LEU 43 -8.409 35.134 0.812 1.00 15.24 ATOM 681 HD22 LEU 43 -9.106 36.459 -0.119 1.00 43.31 ATOM 682 HD23 LEU 43 -7.772 35.518 -0.788 1.00 4.35 ATOM 683 C LEU 43 -10.395 36.856 -3.829 1.00 30.03 ATOM 684 O LEU 43 -11.250 36.635 -4.692 1.00 21.33 ATOM 685 N PRO 44 -9.269 37.543 -4.107 1.00 61.14 ATOM 686 CA PRO 44 -8.882 37.899 -5.480 1.00 74.14 ATOM 687 HA PRO 44 -9.589 38.582 -5.928 1.00 60.30 ATOM 688 CB PRO 44 -7.519 38.592 -5.315 1.00 11.21 ATOM 689 HB1 PRO 44 -7.458 39.439 -5.985 1.00 37.52 ATOM 690 HB2 PRO 44 -6.725 37.894 -5.544 1.00 53.33 ATOM 691 CG PRO 44 -7.464 39.023 -3.889 1.00 70.40 ATOM 692 HG1 PRO 44 -7.864 40.018 -3.795 1.00 37.52 ATOM 693 HG2 PRO 44 -6.442 38.999 -3.538 1.00 40.01 ATOM 694 CD PRO 44 -8.306 38.045 -3.111 1.00 3.11 ATOM 695 HD1 PRO 44 -8.817 38.547 -2.303 1.00 37.52 ATOM 696 HD2 PRO 44 -7.697 37.242 -2.728 1.00 62.32 ATOM 697 C PRO 44 -8.726 36.661 -6.374 1.00 45.35 ATOM 698 O PRO 44 -8.551 35.550 -5.875 1.00 31.24 ATOM 699 N VAL 45 -8.772 36.853 -7.690 1.00 64.43 ATOM 700 HN VAL 45 -8.962 37.751 -8.037 1.00 37.52 ATOM 701 CA VAL 45 -8.553 35.748 -8.630 1.00 44.51 ATOM 702 HA VAL 45 -9.345 35.025 -8.473 1.00 71.41 ATOM 703 CB VAL 45 -8.629 36.237 -10.104 1.00 5.05 ATOM 704 HB VAL 45 -9.614 36.653 -10.263 1.00 24.40 ATOM 705 CG1 VAL 45 -7.611 37.343 -10.380 1.00 60.30 ATOM 706 HG11 VAL 45 -6.612 36.967 -10.213 1.00 22.34 ATOM 707 HG12 VAL 45 -7.795 38.178 -9.720 1.00 43.04 ATOM 708 HG13 VAL 45 -7.705 37.671 -11.406 1.00 44.14 ATOM 709 CG2 VAL 45 -8.448 35.071 -11.078 1.00 12.44 ATOM 710 HG21 VAL 45 -9.210 34.327 -10.897 1.00 72.34 ATOM 711 HG22 VAL 45 -7.473 34.627 -10.938 1.00 4.13 ATOM 712 HG23 VAL 45 -8.534 35.433 -12.093 1.00 32.52 ATOM 713 C VAL 45 -7.199 35.061 -8.370 1.00 14.33 ATOM 714 O VAL 45 -7.094 33.835 -8.398 1.00 53.25 ATOM 715 N ASP 46 -6.180 35.869 -8.078 1.00 72.13 ATOM 716 HN ASP 46 -6.336 36.837 -8.057 1.00 37.52 ATOM 717 CA ASP 46 -4.833 35.364 -7.804 1.00 33.12 ATOM 718 HA ASP 46 -4.551 34.713 -8.620 1.00 73.31 ATOM 719 CB ASP 46 -3.845 36.531 -7.740 1.00 1.41 ATOM 720 HB1 ASP 46 -2.837 36.143 -7.699 1.00 37.52 ATOM 721 HB2 ASP 46 -4.037 37.115 -6.849 1.00 13.25 ATOM 722 CG ASP 46 -3.967 37.436 -8.951 1.00 11.25 ATOM 723 OD1 ASP 46 -4.682 38.453 -8.865 1.00 24.30 ATOM 724 OD2 ASP 46 -3.369 37.123 -9.999 1.00 22.21 ATOM 725 C ASP 46 -4.783 34.562 -6.494 1.00 32.33 ATOM 726 O ASP 46 -4.331 33.416 -6.473 1.00 52.23 ATOM 727 N ASP 47 -5.244 35.168 -5.398 1.00 62.42 ATOM 728 HN ASP 47 -5.579 36.094 -5.465 1.00 37.52 ATOM 729 CA ASP 47 -5.255 34.498 -4.088 1.00 11.34 ATOM 730 HA ASP 47 -4.240 34.190 -3.872 1.00 22.40 ATOM 731 CB ASP 47 -5.708 35.479 -3.008 1.00 23.51 ATOM 732 HB1 ASP 47 -5.775 34.960 -2.060 1.00 37.52 ATOM 733 HB2 ASP 47 -6.682 35.868 -3.268 1.00 13.31 ATOM 734 CG ASP 47 -4.746 36.643 -2.860 1.00 1.42 ATOM 735 OD1 ASP 47 -4.256 36.882 -1.738 1.00 12.31 ATOM 736 OD2 ASP 47 -4.453 37.311 -3.874 1.00 54.32 ATOM 737 C ASP 47 -6.152 33.250 -4.095 1.00 72.33 ATOM 738 O ASP 47 -5.876 32.274 -3.399 1.00 33.12 ATOM 739 N PHE 48 -7.221 33.291 -4.886 1.00 11.43 ATOM 740 HN PHE 48 -7.437 34.127 -5.348 1.00 37.52 ATOM 741 CA PHE 48 -8.089 32.128 -5.080 1.00 75.32 ATOM 742 HA PHE 48 -8.455 31.823 -4.107 1.00 34.00 ATOM 743 CB PHE 48 -9.283 32.507 -5.965 1.00 13.10 ATOM 744 HB1 PHE 48 -8.918 32.971 -6.872 1.00 37.52 ATOM 745 HB2 PHE 48 -9.906 33.214 -5.435 1.00 74.42 ATOM 746 CG PHE 48 -10.140 31.333 -6.351 1.00 34.10 ATOM 747 CD1 PHE 48 -10.103 30.823 -7.643 1.00 51.32 ATOM 748 HD1 PHE 48 -9.457 31.284 -8.378 1.00 72.31 ATOM 749 CD2 PHE 48 -10.973 30.729 -5.421 1.00 51.01 ATOM 750 HD2 PHE 48 -11.013 31.114 -4.411 1.00 71.44 ATOM 751 CE1 PHE 48 -10.878 29.739 -7.994 1.00 64.24 ATOM 752 HE1 PHE 48 -10.840 29.351 -9.000 1.00 72.33 ATOM 753 CE2 PHE 48 -11.750 29.646 -5.772 1.00 73.33 ATOM 754 HE2 PHE 48 -12.397 29.184 -5.040 1.00 54.12 ATOM 755 CZ PHE 48 -11.703 29.151 -7.058 1.00 65.43 ATOM 756 HZ PHE 48 -12.309 28.303 -7.332 1.00 74.31 ATOM 757 C PHE 48 -7.311 30.957 -5.708 1.00 52.03 ATOM 758 O PHE 48 -7.360 29.827 -5.217 1.00 2.34 ATOM 759 N ASN 49 -6.596 31.239 -6.798 1.00 42.53 ATOM 760 HN ASN 49 -6.636 32.146 -7.172 1.00 37.52 ATOM 761 CA ASN 49 -5.758 30.231 -7.460 1.00 64.41 ATOM 762 HA ASN 49 -6.395 29.398 -7.726 1.00 63.33 ATOM 763 CB ASN 49 -5.151 30.817 -8.740 1.00 33.22 ATOM 764 HB1 ASN 49 -4.495 30.086 -9.192 1.00 37.52 ATOM 765 HB2 ASN 49 -4.580 31.700 -8.488 1.00 50.24 ATOM 766 CG ASN 49 -6.214 31.202 -9.758 1.00 63.11 ATOM 767 OD1 ASN 49 -7.262 30.568 -9.858 1.00 33.14 ATOM 768 ND2 ASN 49 -5.964 32.251 -10.514 1.00 44.22 ATOM 769 HD21 ASN 49 -5.116 32.729 -10.385 1.00 52.14 ATOM 770 HD22 ASN 49 -6.640 32.517 -11.166 1.00 22.33 ATOM 771 C ASN 49 -4.653 29.723 -6.515 1.00 63.21 ATOM 772 O ASN 49 -4.356 28.527 -6.474 1.00 10.02 ATOM 773 N GLU 50 -4.054 30.641 -5.749 1.00 32.32 ATOM 774 HN GLU 50 -4.256 31.587 -5.902 1.00 37.52 ATOM 775 CA GLU 50 -3.094 30.272 -4.695 1.00 24.13 ATOM 776 HA GLU 50 -2.241 29.805 -5.169 1.00 55.02 ATOM 777 CB GLU 50 -2.625 31.523 -3.926 1.00 54.35 ATOM 778 HB1 GLU 50 -2.096 31.207 -3.036 1.00 37.52 ATOM 779 HB2 GLU 50 -3.493 32.092 -3.628 1.00 73.24 ATOM 780 CG GLU 50 -1.706 32.449 -4.718 1.00 50.45 ATOM 781 HG1 GLU 50 -1.571 33.364 -4.156 1.00 37.52 ATOM 782 HG2 GLU 50 -2.177 32.680 -5.663 1.00 62.11 ATOM 783 CD GLU 50 -0.339 31.836 -4.987 1.00 21.52 ATOM 784 OE1 GLU 50 -0.131 31.289 -6.089 1.00 62.33 ATOM 785 OE2 GLU 50 0.536 31.900 -4.092 1.00 41.55 ATOM 786 C GLU 50 -3.725 29.277 -3.712 1.00 23.22 ATOM 787 O GLU 50 -3.139 28.246 -3.392 1.00 35.52 ATOM 788 N LEU 51 -4.935 29.594 -3.259 1.00 34.12 ATOM 789 HN LEU 51 -5.350 30.426 -3.572 1.00 37.52 ATOM 790 CA LEU 51 -5.678 28.749 -2.314 1.00 71.12 ATOM 791 HA LEU 51 -5.161 28.778 -1.363 1.00 72.51 ATOM 792 CB LEU 51 -7.095 29.322 -2.131 1.00 53.40 ATOM 793 HB1 LEU 51 -7.596 29.285 -3.089 1.00 37.52 ATOM 794 HB2 LEU 51 -7.001 30.359 -1.839 1.00 4.32 ATOM 795 CG LEU 51 -7.988 28.613 -1.098 1.00 3.24 ATOM 796 HG LEU 51 -8.032 27.560 -1.334 1.00 33.51 ATOM 797 CD1 LEU 51 -7.412 28.750 0.309 1.00 74.42 ATOM 798 HD11 LEU 51 -6.434 28.292 0.343 1.00 75.10 ATOM 799 HD12 LEU 51 -8.063 28.257 1.018 1.00 4.43 ATOM 800 HD13 LEU 51 -7.329 29.796 0.566 1.00 33.43 ATOM 801 CD2 LEU 51 -9.412 29.168 -1.158 1.00 53.44 ATOM 802 HD21 LEU 51 -9.816 29.018 -2.149 1.00 72.31 ATOM 803 HD22 LEU 51 -9.401 30.224 -0.930 1.00 45.43 ATOM 804 HD23 LEU 51 -10.030 28.652 -0.438 1.00 71.42 ATOM 805 C LEU 51 -5.750 27.287 -2.797 1.00 2.33 ATOM 806 O LEU 51 -5.360 26.362 -2.081 1.00 41.13 ATOM 807 N LEU 52 -6.224 27.088 -4.025 1.00 40.31 ATOM 808 HN LEU 52 -6.505 27.865 -4.558 1.00 37.52 ATOM 809 CA LEU 52 -6.345 25.741 -4.603 1.00 64.24 ATOM 810 HA LEU 52 -6.867 25.126 -3.881 1.00 3.32 ATOM 811 CB LEU 52 -7.181 25.794 -5.889 1.00 33.41 ATOM 812 HB1 LEU 52 -7.142 24.824 -6.365 1.00 37.52 ATOM 813 HB2 LEU 52 -6.734 26.520 -6.556 1.00 25.13 ATOM 814 CG LEU 52 -8.656 26.168 -5.683 1.00 3.33 ATOM 815 HG LEU 52 -8.711 27.152 -5.242 1.00 4.32 ATOM 816 CD1 LEU 52 -9.396 26.213 -7.016 1.00 1.41 ATOM 817 HD11 LEU 52 -9.372 25.236 -7.477 1.00 11.24 ATOM 818 HD12 LEU 52 -8.921 26.931 -7.667 1.00 13.13 ATOM 819 HD13 LEU 52 -10.423 26.506 -6.848 1.00 52.30 ATOM 820 CD2 LEU 52 -9.324 25.184 -4.726 1.00 55.52 ATOM 821 HD21 LEU 52 -9.259 24.184 -5.131 1.00 1.44 ATOM 822 HD22 LEU 52 -10.361 25.453 -4.599 1.00 51.40 ATOM 823 HD23 LEU 52 -8.824 25.218 -3.768 1.00 34.34 ATOM 824 C LEU 52 -4.975 25.097 -4.882 1.00 61.34 ATOM 825 O LEU 52 -4.864 23.875 -4.982 1.00 20.32 ATOM 826 N ALA 53 -3.939 25.920 -5.013 1.00 51.32 ATOM 827 HN ALA 53 -4.094 26.889 -4.996 1.00 37.52 ATOM 828 CA ALA 53 -2.572 25.420 -5.201 1.00 31.41 ATOM 829 HA ALA 53 -2.624 24.525 -5.809 1.00 51.31 ATOM 830 CB ALA 53 -1.738 26.453 -5.955 1.00 54.44 ATOM 831 HB1 ALA 53 -1.661 27.357 -5.366 1.00 31.42 ATOM 832 HB2 ALA 53 -2.213 26.680 -6.899 1.00 33.43 ATOM 833 HB3 ALA 53 -0.749 26.058 -6.137 1.00 60.13 ATOM 834 C ALA 53 -1.910 25.068 -3.856 1.00 14.02 ATOM 835 O ALA 53 -0.934 24.319 -3.805 1.00 22.04 ATOM 836 N ARG 54 -2.452 25.617 -2.768 1.00 4.22 ATOM 837 HN ARG 54 -3.234 26.199 -2.874 1.00 37.52 ATOM 838 CA ARG 54 -1.907 25.394 -1.419 1.00 73.11 ATOM 839 HA ARG 54 -0.859 25.147 -1.526 1.00 51.44 ATOM 840 CB ARG 54 -2.022 26.686 -0.599 1.00 34.33 ATOM 841 HB1 ARG 54 -1.678 26.499 0.409 1.00 37.52 ATOM 842 HB2 ARG 54 -3.061 26.991 -0.566 1.00 34.23 ATOM 843 CG ARG 54 -1.199 27.831 -1.182 1.00 4.45 ATOM 844 HG1 ARG 54 -1.429 27.924 -2.236 1.00 37.52 ATOM 845 HG2 ARG 54 -0.151 27.598 -1.067 1.00 71.30 ATOM 846 CD ARG 54 -1.478 29.165 -0.499 1.00 34.10 ATOM 847 HD1 ARG 54 -1.128 29.116 0.523 1.00 37.52 ATOM 848 HD2 ARG 54 -2.544 29.345 -0.507 1.00 33.43 ATOM 849 NE ARG 54 -0.805 30.268 -1.184 1.00 0.21 ATOM 850 HE ARG 54 -0.537 30.122 -2.114 1.00 43.01 ATOM 851 CZ ARG 54 -0.534 31.423 -0.642 1.00 11.14 ATOM 852 NH1 ARG 54 -0.856 31.673 0.584 1.00 60.43 ATOM 853 HH11 ARG 54 -1.317 30.980 1.130 1.00 15.41 ATOM 854 HH12 ARG 54 -0.637 32.562 0.981 1.00 12.33 ATOM 855 NH2 ARG 54 0.063 32.337 -1.331 1.00 20.53 ATOM 856 HH21 ARG 54 0.317 32.163 -2.280 1.00 32.10 ATOM 857 HH22 ARG 54 0.282 33.213 -0.905 1.00 73.23 ATOM 858 C ARG 54 -2.609 24.232 -0.694 1.00 23.21 ATOM 859 O ARG 54 -2.015 23.573 0.160 1.00 51.54 ATOM 860 N TYR 55 -3.874 23.991 -1.027 1.00 12.21 ATOM 861 HN TYR 55 -4.314 24.580 -1.677 1.00 37.52 ATOM 862 CA TYR 55 -4.635 22.877 -0.439 1.00 64.11 ATOM 863 HA TYR 55 -4.121 22.568 0.461 1.00 25.02 ATOM 864 CB TYR 55 -6.049 23.338 -0.057 1.00 14.44 ATOM 865 HB1 TYR 55 -6.653 22.473 0.179 1.00 37.52 ATOM 866 HB2 TYR 55 -6.490 23.859 -0.896 1.00 32.44 ATOM 867 CG TYR 55 -6.074 24.271 1.139 1.00 72.15 ATOM 868 CD1 TYR 55 -6.496 23.823 2.387 1.00 71.20 ATOM 869 HD1 TYR 55 -6.817 22.796 2.497 1.00 20.24 ATOM 870 CD2 TYR 55 -5.664 25.593 1.023 1.00 65.34 ATOM 871 HD2 TYR 55 -5.332 25.957 0.062 1.00 61.51 ATOM 872 CE1 TYR 55 -6.507 24.667 3.482 1.00 25.15 ATOM 873 HE1 TYR 55 -6.838 24.301 4.442 1.00 51.32 ATOM 874 CE2 TYR 55 -5.674 26.441 2.111 1.00 0.43 ATOM 875 HE2 TYR 55 -5.352 27.466 1.998 1.00 42.41 ATOM 876 CZ TYR 55 -6.097 25.975 3.339 1.00 34.22 ATOM 877 OH TYR 55 -6.101 26.821 4.430 1.00 4.22 ATOM 878 HH TYR 55 -6.496 27.667 4.180 1.00 41.21 ATOM 879 C TYR 55 -4.712 21.673 -1.394 1.00 13.22 ATOM 880 O TYR 55 -5.300 21.765 -2.474 1.00 73.34 ATOM 881 N PRO 56 -4.120 20.520 -1.010 1.00 73.32 ATOM 882 CA PRO 56 -4.125 19.307 -1.847 1.00 54.23 ATOM 883 HA PRO 56 -3.782 19.526 -2.849 1.00 22.00 ATOM 884 CB PRO 56 -3.107 18.394 -1.147 1.00 20.22 ATOM 885 HB1 PRO 56 -2.127 18.548 -1.577 1.00 37.52 ATOM 886 HB2 PRO 56 -3.398 17.359 -1.264 1.00 12.31 ATOM 887 CG PRO 56 -3.147 18.819 0.283 1.00 11.32 ATOM 888 HG1 PRO 56 -2.200 18.603 0.758 1.00 37.52 ATOM 889 HG2 PRO 56 -3.949 18.306 0.798 1.00 61.11 ATOM 890 CD PRO 56 -3.399 20.306 0.264 1.00 33.43 ATOM 891 HD1 PRO 56 -2.464 20.848 0.270 1.00 37.52 ATOM 892 HD2 PRO 56 -4.010 20.598 1.107 1.00 53.43 ATOM 893 C PRO 56 -5.510 18.638 -1.928 1.00 23.52 ATOM 894 O PRO 56 -5.768 17.615 -1.287 1.00 32.41 ATOM 895 N LEU 57 -6.401 19.235 -2.714 1.00 62.22 ATOM 896 HN LEU 57 -6.144 20.062 -3.176 1.00 37.52 ATOM 897 CA LEU 57 -7.753 18.706 -2.908 1.00 34.10 ATOM 898 HA LEU 57 -8.013 18.117 -2.040 1.00 33.15 ATOM 899 CB LEU 57 -8.753 19.865 -3.042 1.00 12.54 ATOM 900 HB1 LEU 57 -9.742 19.447 -3.181 1.00 37.52 ATOM 901 HB2 LEU 57 -8.497 20.429 -3.928 1.00 60.13 ATOM 902 CG LEU 57 -8.812 20.842 -1.856 1.00 5.11 ATOM 903 HG LEU 57 -7.826 21.256 -1.689 1.00 20.35 ATOM 904 CD1 LEU 57 -9.762 21.997 -2.162 1.00 20.13 ATOM 905 HD11 LEU 57 -10.744 21.607 -2.387 1.00 53.24 ATOM 906 HD12 LEU 57 -9.393 22.555 -3.010 1.00 55.22 ATOM 907 HD13 LEU 57 -9.825 22.652 -1.304 1.00 21.11 ATOM 908 CD2 LEU 57 -9.245 20.121 -0.584 1.00 13.10 ATOM 909 HD21 LEU 57 -8.542 19.333 -0.356 1.00 42.13 ATOM 910 HD22 LEU 57 -10.228 19.697 -0.727 1.00 22.33 ATOM 911 HD23 LEU 57 -9.274 20.825 0.236 1.00 74.11 ATOM 912 C LEU 57 -7.831 17.810 -4.158 1.00 1.24 ATOM 913 O LEU 57 -7.001 17.904 -5.063 1.00 22.41 ATOM 914 N THR 58 -8.830 16.936 -4.200 1.00 63.43 ATOM 915 HN THR 58 -9.421 16.853 -3.425 1.00 37.52 ATOM 916 CA THR 58 -9.066 16.087 -5.378 1.00 11.15 ATOM 917 HA THR 58 -8.103 15.775 -5.764 1.00 41.45 ATOM 918 CB THR 58 -9.877 14.818 -5.020 1.00 15.31 ATOM 919 HB THR 58 -9.968 14.204 -5.907 1.00 44.02 ATOM 920 OG1 THR 58 -11.194 15.169 -4.562 1.00 33.23 ATOM 921 HG1 THR 58 -11.160 15.383 -3.620 1.00 53.33 ATOM 922 CG2 THR 58 -9.167 14.006 -3.943 1.00 43.21 ATOM 923 HG21 THR 58 -9.091 14.594 -3.040 1.00 51.14 ATOM 924 HG22 THR 58 -8.176 13.739 -4.284 1.00 21.41 ATOM 925 HG23 THR 58 -9.731 13.107 -3.739 1.00 4.12 ATOM 926 C THR 58 -9.809 16.866 -6.474 1.00 70.15 ATOM 927 O THR 58 -10.481 17.857 -6.186 1.00 61.35 ATOM 928 N GLU 59 -9.694 16.407 -7.724 1.00 74.32 ATOM 929 HN GLU 59 -9.204 15.567 -7.875 1.00 37.52 ATOM 930 CA GLU 59 -10.267 17.113 -8.889 1.00 62.32 ATOM 931 HA GLU 59 -9.624 17.955 -9.103 1.00 21.41 ATOM 932 CB GLU 59 -10.277 16.186 -10.111 1.00 3.54 ATOM 933 HB1 GLU 59 -10.780 16.687 -10.926 1.00 37.52 ATOM 934 HB2 GLU 59 -10.826 15.289 -9.861 1.00 1.02 ATOM 935 CG GLU 59 -8.888 15.774 -10.589 1.00 14.13 ATOM 936 HG1 GLU 59 -8.995 15.116 -11.441 1.00 37.52 ATOM 937 HG2 GLU 59 -8.390 15.241 -9.791 1.00 44.05 ATOM 938 CD GLU 59 -8.024 16.959 -10.998 1.00 71.04 ATOM 939 OE1 GLU 59 -8.319 17.582 -12.038 1.00 71.22 ATOM 940 OE2 GLU 59 -7.043 17.266 -10.285 1.00 3.32 ATOM 941 C GLU 59 -11.693 17.641 -8.631 1.00 2.24 ATOM 942 O GLU 59 -11.958 18.837 -8.781 1.00 21.25 ATOM 943 N SER 60 -12.600 16.745 -8.241 1.00 64.01 ATOM 944 HN SER 60 -12.326 15.809 -8.146 1.00 37.52 ATOM 945 CA SER 60 -14.004 17.112 -7.974 1.00 63.13 ATOM 946 HA SER 60 -14.431 17.446 -8.906 1.00 42.51 ATOM 947 CB SER 60 -14.794 15.888 -7.491 1.00 42.53 ATOM 948 HB1 SER 60 -15.800 16.187 -7.233 1.00 37.52 ATOM 949 HB2 SER 60 -14.310 15.464 -6.623 1.00 41.34 ATOM 950 OG SER 60 -14.859 14.898 -8.507 1.00 32.23 ATOM 951 HG SER 60 -15.170 14.067 -8.127 1.00 61.21 ATOM 952 C SER 60 -14.133 18.249 -6.947 1.00 61.21 ATOM 953 O SER 60 -15.050 19.070 -7.029 1.00 43.23 ATOM 954 N GLN 61 -13.210 18.301 -5.988 1.00 1.54 ATOM 955 HN GLN 61 -12.483 17.641 -5.989 1.00 37.52 ATOM 956 CA GLN 61 -13.242 19.332 -4.946 1.00 35.13 ATOM 957 HA GLN 61 -14.256 19.375 -4.568 1.00 60.34 ATOM 958 CB GLN 61 -12.308 18.957 -3.787 1.00 0.31 ATOM 959 HB1 GLN 61 -12.339 19.740 -3.043 1.00 37.52 ATOM 960 HB2 GLN 61 -11.298 18.871 -4.165 1.00 3.51 ATOM 961 CG GLN 61 -12.683 17.641 -3.110 1.00 70.13 ATOM 962 HG1 GLN 61 -12.625 16.848 -3.841 1.00 37.52 ATOM 963 HG2 GLN 61 -13.697 17.713 -2.742 1.00 4.22 ATOM 964 CD GLN 61 -11.768 17.295 -1.946 1.00 43.40 ATOM 965 OE1 GLN 61 -10.734 16.660 -2.124 1.00 34.21 ATOM 966 NE2 GLN 61 -12.150 17.684 -0.748 1.00 20.42 ATOM 967 HE21 GLN 61 -12.996 18.170 -0.664 1.00 53.52 ATOM 968 HE22 GLN 61 -11.574 17.464 0.011 1.00 74.41 ATOM 969 C GLN 61 -12.879 20.719 -5.510 1.00 10.13 ATOM 970 O GLN 61 -13.567 21.700 -5.231 1.00 42.23 ATOM 971 N LEU 62 -11.815 20.801 -6.319 1.00 13.31 ATOM 972 HN LEU 62 -11.277 19.999 -6.490 1.00 37.52 ATOM 973 CA LEU 62 -11.446 22.077 -6.963 1.00 14.40 ATOM 974 HA LEU 62 -11.357 22.821 -6.182 1.00 10.44 ATOM 975 CB LEU 62 -10.101 21.983 -7.709 1.00 54.23 ATOM 976 HB1 LEU 62 -9.959 22.903 -8.262 1.00 37.52 ATOM 977 HB2 LEU 62 -10.167 21.170 -8.419 1.00 22.13 ATOM 978 CG LEU 62 -8.856 21.757 -6.827 1.00 13.24 ATOM 979 HG LEU 62 -8.983 22.299 -5.899 1.00 64.41 ATOM 980 CD1 LEU 62 -8.694 20.282 -6.479 1.00 74.21 ATOM 981 HD11 LEU 62 -8.604 19.704 -7.387 1.00 50.11 ATOM 982 HD12 LEU 62 -9.556 19.944 -5.921 1.00 34.25 ATOM 983 HD13 LEU 62 -7.805 20.148 -5.879 1.00 53.10 ATOM 984 CD2 LEU 62 -7.599 22.291 -7.510 1.00 5.15 ATOM 985 HD21 LEU 62 -7.455 21.778 -8.451 1.00 25.35 ATOM 986 HD22 LEU 62 -6.743 22.122 -6.873 1.00 62.51 ATOM 987 HD23 LEU 62 -7.709 23.351 -7.691 1.00 24.12 ATOM 988 C LEU 62 -12.545 22.528 -7.936 1.00 51.44 ATOM 989 O LEU 62 -12.873 23.716 -8.017 1.00 53.32 ATOM 990 N ALA 63 -13.114 21.566 -8.666 1.00 32.43 ATOM 991 HN ALA 63 -12.766 20.649 -8.595 1.00 37.52 ATOM 992 CA ALA 63 -14.234 21.835 -9.573 1.00 33.52 ATOM 993 HA ALA 63 -13.890 22.526 -10.332 1.00 22.34 ATOM 994 CB ALA 63 -14.671 20.547 -10.266 1.00 63.15 ATOM 995 HB1 ALA 63 -13.828 20.109 -10.781 1.00 40.42 ATOM 996 HB2 ALA 63 -15.452 20.767 -10.981 1.00 4.44 ATOM 997 HB3 ALA 63 -15.045 19.849 -9.530 1.00 13.12 ATOM 998 C ALA 63 -15.415 22.469 -8.822 1.00 20.22 ATOM 999 O ALA 63 -16.094 23.359 -9.342 1.00 61.10 ATOM 1000 N LEU 64 -15.652 22.008 -7.595 1.00 62.14 ATOM 1001 HN LEU 64 -15.115 21.260 -7.254 1.00 37.52 ATOM 1002 CA LEU 64 -16.697 22.584 -6.746 1.00 72.42 ATOM 1003 HA LEU 64 -17.595 22.667 -7.342 1.00 23.05 ATOM 1004 CB LEU 64 -16.983 21.678 -5.543 1.00 52.54 ATOM 1005 HB1 LEU 64 -16.072 21.576 -4.971 1.00 37.52 ATOM 1006 HB2 LEU 64 -17.268 20.703 -5.913 1.00 11.45 ATOM 1007 CG LEU 64 -18.090 22.188 -4.603 1.00 10.44 ATOM 1008 HG LEU 64 -17.862 23.207 -4.321 1.00 73.35 ATOM 1009 CD1 LEU 64 -19.446 22.200 -5.309 1.00 42.21 ATOM 1010 HD11 LEU 64 -19.701 21.197 -5.622 1.00 42.35 ATOM 1011 HD12 LEU 64 -19.397 22.844 -6.175 1.00 34.23 ATOM 1012 HD13 LEU 64 -20.204 22.569 -4.632 1.00 31.31 ATOM 1013 CD2 LEU 64 -18.150 21.357 -3.326 1.00 1.43 ATOM 1014 HD21 LEU 64 -18.382 20.332 -3.571 1.00 33.53 ATOM 1015 HD22 LEU 64 -18.915 21.753 -2.674 1.00 34.02 ATOM 1016 HD23 LEU 64 -17.195 21.399 -2.823 1.00 71.31 ATOM 1017 C LEU 64 -16.304 23.985 -6.250 1.00 11.34 ATOM 1018 O LEU 64 -17.066 24.933 -6.397 1.00 11.23 ATOM 1019 N VAL 65 -15.108 24.104 -5.667 1.00 51.21 ATOM 1020 HN VAL 65 -14.535 23.311 -5.600 1.00 37.52 ATOM 1021 CA VAL 65 -14.625 25.382 -5.116 1.00 74.12 ATOM 1022 HA VAL 65 -15.254 25.630 -4.270 1.00 54.22 ATOM 1023 CB VAL 65 -13.165 25.258 -4.605 1.00 64.24 ATOM 1024 HB VAL 65 -12.541 24.946 -5.430 1.00 64.51 ATOM 1025 CG1 VAL 65 -12.645 26.600 -4.096 1.00 22.22 ATOM 1026 HG11 VAL 65 -12.687 27.332 -4.889 1.00 12.34 ATOM 1027 HG12 VAL 65 -11.622 26.488 -3.766 1.00 24.11 ATOM 1028 HG13 VAL 65 -13.252 26.932 -3.267 1.00 41.40 ATOM 1029 CG2 VAL 65 -13.066 24.202 -3.506 1.00 3.15 ATOM 1030 HG21 VAL 65 -12.035 24.100 -3.195 1.00 4.52 ATOM 1031 HG22 VAL 65 -13.424 23.253 -3.879 1.00 64.42 ATOM 1032 HG23 VAL 65 -13.665 24.505 -2.660 1.00 14.10 ATOM 1033 C VAL 65 -14.714 26.528 -6.142 1.00 4.42 ATOM 1034 O VAL 65 -15.171 27.629 -5.819 1.00 20.11 ATOM 1035 N ARG 66 -14.286 26.266 -7.378 1.00 44.52 ATOM 1036 HN ARG 66 -13.897 25.385 -7.573 1.00 37.52 ATOM 1037 CA ARG 66 -14.382 27.265 -8.450 1.00 53.25 ATOM 1038 HA ARG 66 -13.901 28.166 -8.095 1.00 43.12 ATOM 1039 CB ARG 66 -13.648 26.786 -9.716 1.00 72.22 ATOM 1040 HB1 ARG 66 -13.841 27.487 -10.517 1.00 37.52 ATOM 1041 HB2 ARG 66 -14.036 25.817 -9.999 1.00 51.12 ATOM 1042 CG ARG 66 -12.133 26.664 -9.539 1.00 44.32 ATOM 1043 HG1 ARG 66 -11.927 25.831 -8.882 1.00 37.52 ATOM 1044 HG2 ARG 66 -11.759 27.573 -9.090 1.00 74.44 ATOM 1045 CD ARG 66 -11.408 26.438 -10.864 1.00 2.25 ATOM 1046 HD1 ARG 66 -11.739 27.181 -11.576 1.00 37.52 ATOM 1047 HD2 ARG 66 -11.657 25.453 -11.234 1.00 25.00 ATOM 1048 NE ARG 66 -9.950 26.534 -10.712 1.00 50.05 ATOM 1049 HE ARG 66 -9.521 25.927 -10.078 1.00 11.34 ATOM 1050 CZ ARG 66 -9.192 27.375 -11.371 1.00 2.11 ATOM 1051 NH1 ARG 66 -9.709 28.218 -12.204 1.00 11.33 ATOM 1052 HH11 ARG 66 -10.695 28.230 -12.352 1.00 44.14 ATOM 1053 HH12 ARG 66 -9.121 28.856 -12.696 1.00 42.11 ATOM 1054 NH2 ARG 66 -7.914 27.386 -11.170 1.00 62.14 ATOM 1055 HH21 ARG 66 -7.510 26.752 -10.514 1.00 14.35 ATOM 1056 HH22 ARG 66 -7.333 28.025 -11.672 1.00 72.34 ATOM 1057 C ARG 66 -15.847 27.604 -8.772 1.00 53.43 ATOM 1058 O ARG 66 -16.179 28.753 -9.081 1.00 3.53 ATOM 1059 N ASP 67 -16.721 26.606 -8.683 1.00 34.24 ATOM 1060 HN ASP 67 -16.398 25.707 -8.460 1.00 37.52 ATOM 1061 CA ASP 67 -18.154 26.809 -8.907 1.00 33.44 ATOM 1062 HA ASP 67 -18.265 27.383 -9.816 1.00 4.23 ATOM 1063 CB ASP 67 -18.850 25.452 -9.086 1.00 61.55 ATOM 1064 HB1 ASP 67 -18.776 24.893 -8.163 1.00 37.52 ATOM 1065 HB2 ASP 67 -18.351 24.902 -9.872 1.00 42.50 ATOM 1066 CG ASP 67 -20.320 25.585 -9.457 1.00 1.34 ATOM 1067 OD1 ASP 67 -20.621 26.198 -10.505 1.00 43.41 ATOM 1068 OD2 ASP 67 -21.179 25.053 -8.723 1.00 13.55 ATOM 1069 C ASP 67 -18.788 27.596 -7.746 1.00 5.12 ATOM 1070 O ASP 67 -19.668 28.429 -7.957 1.00 14.20 ATOM 1071 N ILE 68 -18.320 27.342 -6.522 1.00 52.20 ATOM 1072 HN ILE 68 -17.630 26.656 -6.413 1.00 37.52 ATOM 1073 CA ILE 68 -18.810 28.051 -5.334 1.00 71.12 ATOM 1074 HA ILE 68 -19.875 27.873 -5.263 1.00 32.13 ATOM 1075 CB ILE 68 -18.142 27.521 -4.033 1.00 22.44 ATOM 1076 HB ILE 68 -17.069 27.597 -4.152 1.00 2.43 ATOM 1077 CG1 ILE 68 -18.516 26.046 -3.798 1.00 11.14 ATOM 1078 HG11 ILE 68 -18.219 25.465 -4.660 1.00 37.52 ATOM 1079 HG12 ILE 68 -19.586 25.968 -3.672 1.00 54.04 ATOM 1080 CG2 ILE 68 -18.541 28.378 -2.829 1.00 33.21 ATOM 1081 HG21 ILE 68 -19.616 28.376 -2.723 1.00 32.12 ATOM 1082 HG22 ILE 68 -18.198 29.391 -2.975 1.00 3.52 ATOM 1083 HG23 ILE 68 -18.091 27.974 -1.933 1.00 62.24 ATOM 1084 CD1 ILE 68 -17.863 25.428 -2.575 1.00 31.23 ATOM 1085 HD11 ILE 68 -18.180 24.400 -2.481 1.00 2.15 ATOM 1086 HD12 ILE 68 -18.156 25.976 -1.690 1.00 4.05 ATOM 1087 HD13 ILE 68 -16.790 25.466 -2.683 1.00 50.43 ATOM 1088 C ILE 68 -18.573 29.563 -5.445 1.00 12.52 ATOM 1089 O ILE 68 -19.462 30.362 -5.151 1.00 12.53 ATOM 1090 N ARG 69 -17.376 29.955 -5.880 1.00 72.50 ATOM 1091 HN ARG 69 -16.692 29.276 -6.074 1.00 37.52 ATOM 1092 CA ARG 69 -17.058 31.376 -6.070 1.00 21.22 ATOM 1093 HA ARG 69 -17.177 31.871 -5.116 1.00 12.53 ATOM 1094 CB ARG 69 -15.607 31.545 -6.548 1.00 22.43 ATOM 1095 HB1 ARG 69 -15.545 31.253 -7.589 1.00 37.52 ATOM 1096 HB2 ARG 69 -14.970 30.895 -5.966 1.00 42.24 ATOM 1097 CG ARG 69 -15.079 32.975 -6.420 1.00 70.20 ATOM 1098 HG1 ARG 69 -15.157 33.285 -5.387 1.00 37.52 ATOM 1099 HG2 ARG 69 -15.682 33.626 -7.035 1.00 60.41 ATOM 1100 CD ARG 69 -13.623 33.094 -6.864 1.00 25.03 ATOM 1101 HD1 ARG 69 -13.563 32.903 -7.927 1.00 37.52 ATOM 1102 HD2 ARG 69 -13.036 32.357 -6.334 1.00 63.23 ATOM 1103 NE ARG 69 -13.073 34.419 -6.584 1.00 52.22 ATOM 1104 HE ARG 69 -12.927 34.656 -5.645 1.00 22.13 ATOM 1105 CZ ARG 69 -12.766 35.300 -7.500 1.00 45.32 ATOM 1106 NH1 ARG 69 -12.929 35.031 -8.760 1.00 62.01 ATOM 1107 HH11 ARG 69 -13.293 34.145 -9.038 1.00 30.45 ATOM 1108 HH12 ARG 69 -12.691 35.711 -9.450 1.00 72.42 ATOM 1109 NH2 ARG 69 -12.279 36.444 -7.149 1.00 20.10 ATOM 1110 HH21 ARG 69 -12.136 36.648 -6.182 1.00 72.22 ATOM 1111 HH22 ARG 69 -12.068 37.133 -7.841 1.00 64.11 ATOM 1112 C ARG 69 -18.034 32.010 -7.080 1.00 21.54 ATOM 1113 O ARG 69 -18.486 33.145 -6.912 1.00 60.12 ATOM 1114 N ARG 70 -18.364 31.247 -8.121 1.00 11.15 ATOM 1115 HN ARG 70 -17.909 30.383 -8.234 1.00 37.52 ATOM 1116 CA ARG 70 -19.375 31.647 -9.107 1.00 2.14 ATOM 1117 HA ARG 70 -19.098 32.616 -9.496 1.00 73.53 ATOM 1118 CB ARG 70 -19.384 30.627 -10.260 1.00 42.25 ATOM 1119 HB1 ARG 70 -19.539 29.640 -9.842 1.00 37.52 ATOM 1120 HB2 ARG 70 -18.418 30.645 -10.742 1.00 25.02 ATOM 1121 CG ARG 70 -20.449 30.857 -11.335 1.00 41.33 ATOM 1122 HG1 ARG 70 -21.418 30.913 -10.858 1.00 37.52 ATOM 1123 HG2 ARG 70 -20.437 30.018 -12.015 1.00 23.25 ATOM 1124 CD ARG 70 -20.220 32.136 -12.137 1.00 30.53 ATOM 1125 HD1 ARG 70 -20.805 32.083 -13.045 1.00 37.52 ATOM 1126 HD2 ARG 70 -19.172 32.204 -12.395 1.00 4.10 ATOM 1127 NE ARG 70 -20.603 33.339 -11.401 1.00 3.34 ATOM 1128 HE ARG 70 -21.092 33.221 -10.566 1.00 64.42 ATOM 1129 CZ ARG 70 -20.359 34.553 -11.809 1.00 54.54 ATOM 1130 NH1 ARG 70 -19.697 34.762 -12.903 1.00 61.33 ATOM 1131 HH11 ARG 70 -19.364 33.989 -13.444 1.00 63.03 ATOM 1132 HH12 ARG 70 -19.524 35.696 -13.211 1.00 35.51 ATOM 1133 NH2 ARG 70 -20.778 35.560 -11.113 1.00 21.25 ATOM 1134 HH21 ARG 70 -21.284 35.404 -10.273 1.00 71.44 ATOM 1135 HH22 ARG 70 -20.596 36.494 -11.426 1.00 51.45 ATOM 1136 C ARG 70 -20.771 31.744 -8.463 1.00 43.02 ATOM 1137 O ARG 70 -21.541 32.663 -8.754 1.00 70.03 ATOM 1138 N ARG 71 -21.076 30.788 -7.586 1.00 44.13 ATOM 1139 HN ARG 71 -20.420 30.078 -7.418 1.00 37.52 ATOM 1140 CA ARG 71 -22.354 30.746 -6.866 1.00 2.32 ATOM 1141 HA ARG 71 -23.148 30.828 -7.595 1.00 13.24 ATOM 1142 CB ARG 71 -22.492 29.408 -6.132 1.00 12.34 ATOM 1143 HB1 ARG 71 -23.373 29.445 -5.507 1.00 37.52 ATOM 1144 HB2 ARG 71 -21.623 29.268 -5.503 1.00 2.21 ATOM 1145 CG ARG 71 -22.611 28.198 -7.053 1.00 21.53 ATOM 1146 HG1 ARG 71 -21.776 28.195 -7.741 1.00 37.52 ATOM 1147 HG2 ARG 71 -23.536 28.271 -7.609 1.00 31.41 ATOM 1148 CD ARG 71 -22.609 26.893 -6.264 1.00 71.11 ATOM 1149 HD1 ARG 71 -21.613 26.717 -5.882 1.00 37.52 ATOM 1150 HD2 ARG 71 -22.887 26.084 -6.925 1.00 40.15 ATOM 1151 NE ARG 71 -23.544 26.944 -5.142 1.00 63.22 ATOM 1152 HE ARG 71 -23.421 27.663 -4.489 1.00 33.24 ATOM 1153 CZ ARG 71 -24.535 26.119 -4.960 1.00 54.14 ATOM 1154 NH1 ARG 71 -24.728 25.121 -5.761 1.00 52.31 ATOM 1155 HH11 ARG 71 -24.110 24.967 -6.529 1.00 71.54 ATOM 1156 HH12 ARG 71 -25.505 24.512 -5.614 1.00 1.03 ATOM 1157 NH2 ARG 71 -25.329 26.293 -3.957 1.00 64.21 ATOM 1158 HH21 ARG 71 -25.176 27.059 -3.333 1.00 30.04 ATOM 1159 HH22 ARG 71 -26.091 25.665 -3.812 1.00 54.11 ATOM 1160 C ARG 71 -22.486 31.896 -5.856 1.00 61.24 ATOM 1161 O ARG 71 -23.590 32.322 -5.530 1.00 21.23 ATOM 1162 N GLY 72 -21.358 32.374 -5.343 1.00 43.33 ATOM 1163 HN GLY 72 -20.507 31.951 -5.580 1.00 37.52 ATOM 1164 CA GLY 72 -21.378 33.499 -4.416 1.00 72.20 ATOM 1165 HA1 GLY 72 -20.465 33.490 -3.838 1.00 37.52 ATOM 1166 HA2 GLY 72 -22.215 33.384 -3.743 1.00 34.23 ATOM 1167 C GLY 72 -21.492 34.844 -5.124 1.00 30.24 ATOM 1168 O GLY 72 -22.216 35.738 -4.678 1.00 53.21 ATOM 1169 N LYS 73 -20.778 34.990 -6.239 1.00 3.30 ATOM 1170 HN LYS 73 -20.242 34.234 -6.562 1.00 37.52 ATOM 1171 CA LYS 73 -20.757 36.257 -6.978 1.00 51.55 ATOM 1172 HA LYS 73 -20.682 37.049 -6.246 1.00 51.21 ATOM 1173 CB LYS 73 -19.523 36.334 -7.896 1.00 22.42 ATOM 1174 HB1 LYS 73 -19.551 35.507 -8.592 1.00 37.52 ATOM 1175 HB2 LYS 73 -18.633 36.251 -7.288 1.00 71.20 ATOM 1176 CG LYS 73 -19.439 37.636 -8.699 1.00 13.45 ATOM 1177 HG1 LYS 73 -19.495 38.471 -8.014 1.00 37.52 ATOM 1178 HG2 LYS 73 -20.277 37.680 -9.381 1.00 12.13 ATOM 1179 CD LYS 73 -18.145 37.749 -9.508 1.00 21.23 ATOM 1180 HD1 LYS 73 -18.195 38.634 -10.127 1.00 37.52 ATOM 1181 HD2 LYS 73 -18.049 36.877 -10.138 1.00 31.24 ATOM 1182 CE LYS 73 -16.915 37.844 -8.612 1.00 61.43 ATOM 1183 HE1 LYS 73 -16.782 36.902 -8.101 1.00 37.52 ATOM 1184 HE2 LYS 73 -17.072 38.628 -7.884 1.00 53.34 ATOM 1185 NZ LYS 73 -15.687 38.149 -9.391 1.00 55.53 ATOM 1186 HZ1 LYS 73 -15.776 39.081 -9.846 1.00 40.54 ATOM 1187 HZ2 LYS 73 -15.539 37.432 -10.128 1.00 12.11 ATOM 1188 HZ3 LYS 73 -14.861 38.162 -8.762 1.00 55.55 ATOM 1189 C LYS 73 -22.037 36.490 -7.801 1.00 2.52 ATOM 1190 O LYS 73 -22.383 37.633 -8.081 1.00 60.44 ATOM 1191 N ASN 74 -22.745 35.424 -8.183 1.00 52.13 ATOM 1192 HN ASN 74 -22.486 34.533 -7.863 1.00 37.52 ATOM 1193 CA ASN 74 -23.925 35.565 -9.062 1.00 64.14 ATOM 1194 HA ASN 74 -23.579 36.000 -9.990 1.00 3.32 ATOM 1195 CB ASN 74 -24.551 34.193 -9.370 1.00 70.44 ATOM 1196 HB1 ASN 74 -23.768 33.507 -9.662 1.00 37.52 ATOM 1197 HB2 ASN 74 -25.249 34.298 -10.188 1.00 24.31 ATOM 1198 CG ASN 74 -25.291 33.600 -8.186 1.00 11.22 ATOM 1199 OD1 ASN 74 -24.948 33.851 -7.042 1.00 44.11 ATOM 1200 ND2 ASN 74 -26.313 32.813 -8.454 1.00 52.31 ATOM 1201 HD21 ASN 74 -26.541 32.648 -9.392 1.00 44.22 ATOM 1202 HD22 ASN 74 -26.811 32.436 -7.700 1.00 64.32 ATOM 1203 C ASN 74 -24.984 36.511 -8.455 1.00 14.32 ATOM 1204 O ASN 74 -25.683 37.224 -9.178 1.00 3.52 ATOM 1205 N LYS 75 -25.097 36.512 -7.128 1.00 31.34 ATOM 1206 HN LYS 75 -24.542 35.894 -6.604 1.00 37.52 ATOM 1207 CA LYS 75 -26.037 37.392 -6.429 1.00 55.44 ATOM 1208 HA LYS 75 -27.010 37.259 -6.881 1.00 14.33 ATOM 1209 CB LYS 75 -26.119 36.994 -4.947 1.00 2.53 ATOM 1210 HB1 LYS 75 -25.164 37.195 -4.480 1.00 37.52 ATOM 1211 HB2 LYS 75 -26.321 35.934 -4.884 1.00 11.33 ATOM 1212 CG LYS 75 -27.202 37.733 -4.165 1.00 45.13 ATOM 1213 HG1 LYS 75 -28.155 37.565 -4.646 1.00 37.52 ATOM 1214 HG2 LYS 75 -26.978 38.790 -4.171 1.00 74.41 ATOM 1215 CD LYS 75 -27.286 37.248 -2.717 1.00 14.41 ATOM 1216 HD1 LYS 75 -26.343 37.448 -2.227 1.00 37.52 ATOM 1217 HD2 LYS 75 -27.472 36.183 -2.714 1.00 12.52 ATOM 1218 CE LYS 75 -28.401 37.943 -1.943 1.00 34.32 ATOM 1219 HE1 LYS 75 -28.461 37.506 -0.957 1.00 37.52 ATOM 1220 HE2 LYS 75 -29.336 37.790 -2.462 1.00 24.14 ATOM 1221 NZ LYS 75 -28.160 39.402 -1.809 1.00 31.41 ATOM 1222 HZ1 LYS 75 -28.936 39.845 -1.278 1.00 71.42 ATOM 1223 HZ2 LYS 75 -28.103 39.848 -2.748 1.00 23.44 ATOM 1224 HZ3 LYS 75 -27.268 39.572 -1.306 1.00 52.21 ATOM 1225 C LYS 75 -25.623 38.869 -6.571 1.00 34.32 ATOM 1226 O LYS 75 -26.382 39.692 -7.086 1.00 53.43 ATOM 1227 N VAL 76 -24.409 39.199 -6.125 1.00 22.44 ATOM 1228 HN VAL 76 -23.855 38.510 -5.703 1.00 37.52 ATOM 1229 CA VAL 76 -23.883 40.569 -6.243 1.00 45.10 ATOM 1230 HA VAL 76 -24.611 41.237 -5.804 1.00 61.23 ATOM 1231 CB VAL 76 -22.551 40.728 -5.459 1.00 62.21 ATOM 1232 HB VAL 76 -22.732 40.428 -4.436 1.00 62.03 ATOM 1233 CG1 VAL 76 -21.465 39.817 -6.024 1.00 12.44 ATOM 1234 HG11 VAL 76 -21.279 40.072 -7.057 1.00 53.24 ATOM 1235 HG12 VAL 76 -21.789 38.788 -5.960 1.00 34.54 ATOM 1236 HG13 VAL 76 -20.556 39.942 -5.454 1.00 52.33 ATOM 1237 CG2 VAL 76 -22.088 42.184 -5.447 1.00 12.04 ATOM 1238 HG21 VAL 76 -22.854 42.804 -5.007 1.00 11.44 ATOM 1239 HG22 VAL 76 -21.897 42.512 -6.460 1.00 32.53 ATOM 1240 HG23 VAL 76 -21.181 42.269 -4.866 1.00 54.24 ATOM 1241 C VAL 76 -23.677 40.973 -7.718 1.00 53.42 ATOM 1242 O VAL 76 -23.651 42.160 -8.059 1.00 63.44 ATOM 1243 N ALA 77 -23.548 39.977 -8.590 1.00 43.23 ATOM 1244 HN ALA 77 -23.548 39.056 -8.258 1.00 37.52 ATOM 1245 CA ALA 77 -23.399 40.214 -10.029 1.00 30.52 ATOM 1246 HA ALA 77 -22.523 40.830 -10.173 1.00 25.42 ATOM 1247 CB ALA 77 -23.180 38.899 -10.769 1.00 21.34 ATOM 1248 HB1 ALA 77 -22.295 38.414 -10.384 1.00 32.41 ATOM 1249 HB2 ALA 77 -23.054 39.093 -11.824 1.00 63.12 ATOM 1250 HB3 ALA 77 -24.035 38.254 -10.621 1.00 22.33 ATOM 1251 C ALA 77 -24.617 40.949 -10.602 1.00 61.03 ATOM 1252 O ALA 77 -24.496 41.719 -11.552 1.00 44.33 ATOM 1253 N ALA 78 -25.788 40.719 -10.005 1.00 35.44 ATOM 1254 HN ALA 78 -25.829 40.069 -9.273 1.00 37.52 ATOM 1255 CA ALA 78 -27.016 41.406 -10.420 1.00 73.52 ATOM 1256 HA ALA 78 -27.218 41.129 -11.446 1.00 1.20 ATOM 1257 CB ALA 78 -28.194 40.950 -9.567 1.00 42.44 ATOM 1258 HB1 ALA 78 -29.103 41.403 -9.935 1.00 45.11 ATOM 1259 HB2 ALA 78 -28.034 41.249 -8.541 1.00 62.41 ATOM 1260 HB3 ALA 78 -28.283 39.874 -9.618 1.00 65.15 ATOM 1261 C ALA 78 -26.857 42.935 -10.344 1.00 53.24 ATOM 1262 O ALA 78 -27.479 43.675 -11.107 1.00 74.14 ATOM 1263 N GLN 79 -26.010 43.401 -9.422 1.00 41.22 ATOM 1264 HN GLN 79 -25.586 42.768 -8.805 1.00 37.52 ATOM 1265 CA GLN 79 -25.698 44.832 -9.300 1.00 52.14 ATOM 1266 HA GLN 79 -26.627 45.385 -9.346 1.00 4.22 ATOM 1267 CB GLN 79 -25.007 45.120 -7.957 1.00 63.44 ATOM 1268 HB1 GLN 79 -24.821 46.184 -7.882 1.00 37.52 ATOM 1269 HB2 GLN 79 -24.059 44.598 -7.937 1.00 11.43 ATOM 1270 CG GLN 79 -25.809 44.689 -6.734 1.00 73.12 ATOM 1271 HG1 GLN 79 -25.995 43.625 -6.799 1.00 37.52 ATOM 1272 HG2 GLN 79 -26.752 45.217 -6.732 1.00 12.45 ATOM 1273 CD GLN 79 -25.085 44.978 -5.427 1.00 31.24 ATOM 1274 OE1 GLN 79 -23.857 44.983 -5.367 1.00 12.52 ATOM 1275 NE2 GLN 79 -25.835 45.206 -4.370 1.00 30.20 ATOM 1276 HE21 GLN 79 -26.807 45.173 -4.475 1.00 13.24 ATOM 1277 HE22 GLN 79 -25.387 45.406 -3.524 1.00 32.24 ATOM 1278 C GLN 79 -24.783 45.293 -10.446 1.00 10.11 ATOM 1279 O GLN 79 -24.923 46.402 -10.966 1.00 24.21 ATOM 1280 N ASN 80 -23.858 44.421 -10.841 1.00 60.03 ATOM 1281 HN ASN 80 -23.848 43.530 -10.434 1.00 37.52 ATOM 1282 CA ASN 80 -22.856 44.743 -11.868 1.00 41.15 ATOM 1283 HA ASN 80 -22.712 45.815 -11.871 1.00 31.30 ATOM 1284 CB ASN 80 -21.527 44.069 -11.516 1.00 13.15 ATOM 1285 HB1 ASN 80 -20.791 44.314 -12.269 1.00 37.52 ATOM 1286 HB2 ASN 80 -21.666 42.997 -11.490 1.00 61.21 ATOM 1287 CG ASN 80 -21.001 44.518 -10.167 1.00 2.35 ATOM 1288 OD1 ASN 80 -20.266 45.496 -10.070 1.00 10.22 ATOM 1289 ND2 ASN 80 -21.370 43.813 -9.117 1.00 64.33 ATOM 1290 HD21 ASN 80 -21.954 43.042 -9.256 1.00 74.51 ATOM 1291 HD22 ASN 80 -21.044 44.095 -8.237 1.00 1.03 ATOM 1292 C ASN 80 -23.308 44.304 -13.270 1.00 25.02 ATOM 1293 O ASN 80 -22.610 44.538 -14.258 1.00 71.12 ATOM 1294 N TYR 81 -24.467 43.660 -13.346 1.00 33.04 ATOM 1295 HN TYR 81 -24.971 43.488 -12.524 1.00 37.52 ATOM 1296 CA TYR 81 -25.000 43.177 -14.619 1.00 21.51 ATOM 1297 HA TYR 81 -24.202 42.660 -15.133 1.00 61.05 ATOM 1298 CB TYR 81 -26.142 42.185 -14.375 1.00 61.24 ATOM 1299 HB1 TYR 81 -26.946 42.691 -13.859 1.00 37.52 ATOM 1300 HB2 TYR 81 -25.779 41.376 -13.755 1.00 74.44 ATOM 1301 CG TYR 81 -26.705 41.580 -15.649 1.00 41.55 ATOM 1302 CD1 TYR 81 -25.940 40.710 -16.421 1.00 43.25 ATOM 1303 HD1 TYR 81 -24.936 40.468 -16.102 1.00 24.20 ATOM 1304 CD2 TYR 81 -27.995 41.877 -16.084 1.00 63.02 ATOM 1305 HD2 TYR 81 -28.604 42.551 -15.500 1.00 4.41 ATOM 1306 CE1 TYR 81 -26.442 40.153 -17.581 1.00 34.02 ATOM 1307 HE1 TYR 81 -25.831 39.479 -18.167 1.00 61.35 ATOM 1308 CE2 TYR 81 -28.502 41.322 -17.243 1.00 11.42 ATOM 1309 HE2 TYR 81 -29.504 41.564 -17.565 1.00 13.23 ATOM 1310 CZ TYR 81 -27.720 40.463 -17.988 1.00 2.14 ATOM 1311 OH TYR 81 -28.220 39.905 -19.143 1.00 40.42 ATOM 1312 HH TYR 81 -27.916 38.988 -19.214 1.00 13.11 ATOM 1313 C TYR 81 -25.491 44.331 -15.508 1.00 33.42 ATOM 1314 O TYR 81 -26.380 45.098 -15.126 1.00 42.42 ATOM 1315 N ARG 82 -24.897 44.451 -16.689 1.00 13.50 ATOM 1316 HN ARG 82 -24.135 43.872 -16.896 1.00 37.52 ATOM 1317 CA ARG 82 -25.343 45.426 -17.683 1.00 65.53 ATOM 1318 HA ARG 82 -25.526 46.361 -17.170 1.00 55.13 ATOM 1319 CB ARG 82 -24.251 45.646 -18.741 1.00 34.50 ATOM 1320 HB1 ARG 82 -23.395 46.102 -18.264 1.00 37.52 ATOM 1321 HB2 ARG 82 -24.631 46.320 -19.497 1.00 74.12 ATOM 1322 CG ARG 82 -23.786 44.364 -19.433 1.00 34.31 ATOM 1323 HG1 ARG 82 -24.646 43.860 -19.854 1.00 37.52 ATOM 1324 HG2 ARG 82 -23.317 43.721 -18.700 1.00 52.41 ATOM 1325 CD ARG 82 -22.786 44.652 -20.548 1.00 53.43 ATOM 1326 HD1 ARG 82 -22.439 43.711 -20.956 1.00 37.52 ATOM 1327 HD2 ARG 82 -21.948 45.193 -20.133 1.00 74.22 ATOM 1328 NE ARG 82 -23.379 45.447 -21.623 1.00 60.22 ATOM 1329 HE ARG 82 -24.348 45.587 -21.603 1.00 64.32 ATOM 1330 CZ ARG 82 -22.707 45.976 -22.608 1.00 40.43 ATOM 1331 NH1 ARG 82 -21.421 45.833 -22.687 1.00 4.52 ATOM 1332 HH11 ARG 82 -20.932 45.316 -21.992 1.00 10.52 ATOM 1333 HH12 ARG 82 -20.923 46.247 -23.448 1.00 1.14 ATOM 1334 NH2 ARG 82 -23.331 46.659 -23.509 1.00 61.32 ATOM 1335 HH21 ARG 82 -24.320 46.779 -23.443 1.00 25.54 ATOM 1336 HH22 ARG 82 -22.828 47.060 -24.276 1.00 73.25 ATOM 1337 C ARG 82 -26.647 44.963 -18.355 1.00 35.01 ATOM 1338 O ARG 82 -26.746 43.829 -18.824 1.00 61.24 ATOM 1339 N LYS 83 -27.646 45.841 -18.397 1.00 2.25 ATOM 1340 HN LYS 83 -27.508 46.735 -18.017 1.00 37.52 ATOM 1341 CA LYS 83 -28.940 45.513 -19.012 1.00 14.35 ATOM 1342 HA LYS 83 -29.137 44.468 -18.814 1.00 24.33 ATOM 1343 CB LYS 83 -30.070 46.350 -18.383 1.00 54.04 ATOM 1344 HB1 LYS 83 -30.904 46.386 -19.072 1.00 37.52 ATOM 1345 HB2 LYS 83 -29.710 47.357 -18.224 1.00 24.30 ATOM 1346 CG LYS 83 -30.585 45.806 -17.044 1.00 20.44 ATOM 1347 HG1 LYS 83 -30.932 44.793 -17.196 1.00 37.52 ATOM 1348 HG2 LYS 83 -31.413 46.418 -16.717 1.00 70.30 ATOM 1349 CD LYS 83 -29.518 45.800 -15.946 1.00 32.32 ATOM 1350 HD1 LYS 83 -28.667 45.226 -16.288 1.00 37.52 ATOM 1351 HD2 LYS 83 -29.930 45.337 -15.061 1.00 22.33 ATOM 1352 CE LYS 83 -29.055 47.207 -15.591 1.00 72.21 ATOM 1353 HE1 LYS 83 -29.915 47.791 -15.292 1.00 37.52 ATOM 1354 HE2 LYS 83 -28.604 47.656 -16.464 1.00 30.15 ATOM 1355 NZ LYS 83 -28.063 47.205 -14.484 1.00 24.33 ATOM 1356 HZ1 LYS 83 -28.507 46.874 -13.602 1.00 64.44 ATOM 1357 HZ2 LYS 83 -27.698 48.165 -14.328 1.00 22.20 ATOM 1358 HZ3 LYS 83 -27.267 46.575 -14.712 1.00 55.33 ATOM 1359 C LYS 83 -28.910 45.714 -20.538 1.00 10.13 ATOM 1360 O LYS 83 -28.050 46.419 -21.068 1.00 4.51 ATOM 1361 N ARG 84 -29.858 45.089 -21.232 1.00 22.20 ATOM 1362 HN ARG 84 -30.528 44.565 -20.751 1.00 37.52 ATOM 1363 CA ARG 84 -29.926 45.156 -22.697 1.00 34.14 ATOM 1364 HA ARG 84 -28.929 44.988 -23.080 1.00 5.40 ATOM 1365 CB ARG 84 -30.853 44.054 -23.232 1.00 21.14 ATOM 1366 HB1 ARG 84 -30.445 43.092 -22.951 1.00 37.52 ATOM 1367 HB2 ARG 84 -30.887 44.116 -24.312 1.00 31.33 ATOM 1368 CG ARG 84 -32.282 44.141 -22.697 1.00 5.01 ATOM 1369 HG1 ARG 84 -32.648 45.149 -22.843 1.00 37.52 ATOM 1370 HG2 ARG 84 -32.272 43.915 -21.640 1.00 53.32 ATOM 1371 CD ARG 84 -33.224 43.168 -23.400 1.00 74.24 ATOM 1372 HD1 ARG 84 -32.805 42.174 -23.342 1.00 37.52 ATOM 1373 HD2 ARG 84 -33.315 43.458 -24.437 1.00 13.41 ATOM 1374 NE ARG 84 -34.553 43.156 -22.790 1.00 34.42 ATOM 1375 HE ARG 84 -34.599 43.096 -21.815 1.00 11.25 ATOM 1376 CZ ARG 84 -35.672 43.208 -23.457 1.00 55.34 ATOM 1377 NH1 ARG 84 -35.675 43.286 -24.752 1.00 61.43 ATOM 1378 HH11 ARG 84 -34.814 43.312 -25.250 1.00 30.30 ATOM 1379 HH12 ARG 84 -36.542 43.330 -25.248 1.00 34.51 ATOM 1380 NH2 ARG 84 -36.793 43.160 -22.820 1.00 53.51 ATOM 1381 HH21 ARG 84 -36.796 43.089 -21.825 1.00 75.12 ATOM 1382 HH22 ARG 84 -37.654 43.207 -23.323 1.00 25.14 ATOM 1383 C ARG 84 -30.416 46.524 -23.194 1.00 32.43 ATOM 1384 O ARG 84 -31.193 47.207 -22.523 1.00 33.45 ATOM 1385 N LYS 85 -29.956 46.909 -24.381 1.00 13.01 ATOM 1386 HN LYS 85 -29.286 46.354 -24.832 1.00 37.52 ATOM 1387 CA LYS 85 -30.424 48.129 -25.041 1.00 14.34 ATOM 1388 HA LYS 85 -30.608 48.872 -24.276 1.00 33.44 ATOM 1389 CB LYS 85 -29.344 48.657 -26.006 1.00 34.25 ATOM 1390 HB1 LYS 85 -29.029 47.847 -26.652 1.00 37.52 ATOM 1391 HB2 LYS 85 -28.493 48.989 -25.428 1.00 25.11 ATOM 1392 CG LYS 85 -29.802 49.822 -26.890 1.00 4.31 ATOM 1393 HG1 LYS 85 -30.627 49.487 -27.504 1.00 37.52 ATOM 1394 HG2 LYS 85 -28.981 50.117 -27.527 1.00 51.22 ATOM 1395 CD LYS 85 -30.252 51.037 -26.078 1.00 14.15 ATOM 1396 HD1 LYS 85 -29.409 51.418 -25.519 1.00 37.52 ATOM 1397 HD2 LYS 85 -31.031 50.734 -25.392 1.00 75.43 ATOM 1398 CE LYS 85 -30.792 52.145 -26.978 1.00 63.21 ATOM 1399 HE1 LYS 85 -31.647 51.766 -27.520 1.00 37.52 ATOM 1400 HE2 LYS 85 -30.022 52.430 -27.681 1.00 72.13 ATOM 1401 NZ LYS 85 -31.204 53.347 -26.203 1.00 62.22 ATOM 1402 HZ1 LYS 85 -30.388 53.740 -25.691 1.00 12.22 ATOM 1403 HZ2 LYS 85 -31.943 53.096 -25.513 1.00 33.04 ATOM 1404 HZ3 LYS 85 -31.582 54.075 -26.843 1.00 22.10 ATOM 1405 C LYS 85 -31.734 47.856 -25.797 1.00 10.12 ATOM 1406 O LYS 85 -31.882 46.816 -26.444 1.00 51.13 ATOM 1407 N LEU 86 -32.683 48.782 -25.698 1.00 32.23 ATOM 1408 HN LEU 86 -32.521 49.570 -25.139 1.00 37.52 ATOM 1409 CA LEU 86 -33.972 48.650 -26.387 1.00 24.12 ATOM 1410 HA LEU 86 -34.394 47.694 -26.109 1.00 44.31 ATOM 1411 CB LEU 86 -34.932 49.762 -25.936 1.00 33.22 ATOM 1412 HB1 LEU 86 -35.826 49.703 -26.541 1.00 37.52 ATOM 1413 HB2 LEU 86 -34.456 50.716 -26.123 1.00 42.04 ATOM 1414 CG LEU 86 -35.351 49.713 -24.455 1.00 31.15 ATOM 1415 HG LEU 86 -34.472 49.832 -23.834 1.00 62.32 ATOM 1416 CD1 LEU 86 -36.314 50.854 -24.126 1.00 42.30 ATOM 1417 HD11 LEU 86 -35.823 51.801 -24.300 1.00 51.41 ATOM 1418 HD12 LEU 86 -36.612 50.791 -23.088 1.00 2.45 ATOM 1419 HD13 LEU 86 -37.190 50.782 -24.755 1.00 24.12 ATOM 1420 CD2 LEU 86 -35.980 48.359 -24.126 1.00 61.53 ATOM 1421 HD21 LEU 86 -36.297 48.348 -23.093 1.00 60.40 ATOM 1422 HD22 LEU 86 -35.254 47.574 -24.284 1.00 43.13 ATOM 1423 HD23 LEU 86 -36.835 48.191 -24.766 1.00 21.32 ATOM 1424 C LEU 86 -33.811 48.685 -27.918 1.00 74.43 ATOM 1425 O LEU 86 -32.803 49.161 -28.445 1.00 24.05 ATOM 1426 N GLU 87 -34.820 48.176 -28.616 1.00 4.14 ATOM 1427 HN GLU 87 -35.596 47.823 -28.132 1.00 37.52 ATOM 1428 CA GLU 87 -34.823 48.122 -30.084 1.00 24.43 ATOM 1429 HA GLU 87 -33.849 47.791 -30.418 1.00 22.23 ATOM 1430 CB GLU 87 -35.882 47.112 -30.540 1.00 72.14 ATOM 1431 HB1 GLU 87 -35.678 46.158 -30.076 1.00 37.52 ATOM 1432 HB2 GLU 87 -35.825 46.999 -31.615 1.00 64.32 ATOM 1433 CG GLU 87 -37.302 47.528 -30.174 1.00 33.50 ATOM 1434 HG1 GLU 87 -37.568 48.399 -30.759 1.00 37.52 ATOM 1435 HG2 GLU 87 -37.328 47.785 -29.124 1.00 50.32 ATOM 1436 CD GLU 87 -38.322 46.436 -30.435 1.00 33.04 ATOM 1437 OE1 GLU 87 -38.746 46.278 -31.598 1.00 62.43 ATOM 1438 OE2 GLU 87 -38.701 45.730 -29.475 1.00 2.54 ATOM 1439 C GLU 87 -35.124 49.501 -30.696 1.00 70.41 ATOM 1440 O GLU 87 -35.026 50.529 -30.023 1.00 22.13 ATOM 1441 N THR 88 -35.474 49.514 -31.982 1.00 44.11 ATOM 1442 HN THR 88 -35.443 48.676 -32.488 1.00 37.52 ATOM 1443 CA THR 88 -35.889 50.746 -32.667 1.00 74.34 ATOM 1444 HA THR 88 -35.020 51.383 -32.756 1.00 40.21 ATOM 1445 CB THR 88 -36.424 50.451 -34.088 1.00 5.43 ATOM 1446 HB THR 88 -36.794 51.373 -34.515 1.00 4.50 ATOM 1447 OG1 THR 88 -37.505 49.498 -34.033 1.00 72.34 ATOM 1448 HG1 THR 88 -38.115 49.742 -33.321 1.00 64.04 ATOM 1449 CG2 THR 88 -35.320 49.913 -34.989 1.00 44.42 ATOM 1450 HG21 THR 88 -34.534 50.649 -35.075 1.00 44.54 ATOM 1451 HG22 THR 88 -35.726 49.705 -35.968 1.00 74.02 ATOM 1452 HG23 THR 88 -34.917 49.003 -34.566 1.00 44.31 ATOM 1453 C THR 88 -36.978 51.492 -31.880 1.00 34.45 ATOM 1454 O THR 88 -38.086 50.981 -31.693 1.00 24.32 ATOM 1455 N ILE 89 -36.663 52.705 -31.431 1.00 33.35 ATOM 1456 HN ILE 89 -35.792 53.089 -31.671 1.00 37.52 ATOM 1457 CA ILE 89 -37.580 53.487 -30.594 1.00 30.03 ATOM 1458 HA ILE 89 -37.965 52.829 -29.825 1.00 35.14 ATOM 1459 CB ILE 89 -36.842 54.659 -29.897 1.00 13.33 ATOM 1460 HB ILE 89 -36.451 55.310 -30.666 1.00 0.13 ATOM 1461 CG1 ILE 89 -35.668 54.132 -29.049 1.00 53.11 ATOM 1462 HG11 ILE 89 -35.150 54.970 -28.605 1.00 37.52 ATOM 1463 HG12 ILE 89 -34.985 53.595 -29.690 1.00 14.42 ATOM 1464 CG2 ILE 89 -37.803 55.480 -29.031 1.00 1.40 ATOM 1465 HG21 ILE 89 -37.258 56.277 -28.545 1.00 61.05 ATOM 1466 HG22 ILE 89 -38.252 54.843 -28.281 1.00 72.32 ATOM 1467 HG23 ILE 89 -38.579 55.905 -29.652 1.00 15.02 ATOM 1468 CD1 ILE 89 -36.078 53.192 -27.930 1.00 64.43 ATOM 1469 HD11 ILE 89 -36.567 52.324 -28.349 1.00 64.22 ATOM 1470 HD12 ILE 89 -36.756 53.699 -27.258 1.00 13.25 ATOM 1471 HD13 ILE 89 -35.199 52.879 -27.385 1.00 10.30 ATOM 1472 C ILE 89 -38.764 54.039 -31.405 1.00 3.41 ATOM 1473 O ILE 89 -38.581 54.768 -32.379 1.00 53.32 ATOM 1474 N VAL 90 -39.979 53.682 -30.989 1.00 20.34 ATOM 1475 HN VAL 90 -40.057 53.069 -30.228 1.00 37.52 ATOM 1476 CA VAL 90 -41.204 54.171 -31.636 1.00 24.34 ATOM 1477 HA VAL 90 -41.098 54.031 -32.703 1.00 23.11 ATOM 1478 CB VAL 90 -42.442 53.366 -31.162 1.00 34.43 ATOM 1479 HB VAL 90 -43.310 53.743 -31.686 1.00 35.22 ATOM 1480 CG1 VAL 90 -42.289 51.885 -31.506 1.00 32.34 ATOM 1481 HG11 VAL 90 -41.417 51.485 -31.010 1.00 45.03 ATOM 1482 HG12 VAL 90 -42.176 51.773 -32.575 1.00 55.04 ATOM 1483 HG13 VAL 90 -43.168 51.343 -31.182 1.00 45.44 ATOM 1484 CG2 VAL 90 -42.674 53.553 -29.660 1.00 44.15 ATOM 1485 HG21 VAL 90 -41.803 53.216 -29.114 1.00 72.03 ATOM 1486 HG22 VAL 90 -43.535 52.975 -29.352 1.00 11.14 ATOM 1487 HG23 VAL 90 -42.850 54.598 -29.447 1.00 71.21 ATOM 1488 C VAL 90 -41.439 55.666 -31.355 1.00 40.22 ATOM 1489 O VAL 90 -40.675 56.303 -30.619 1.00 32.41 ATOM 1490 N GLN 91 -42.489 56.229 -31.949 1.00 71.50 ATOM 1491 HN GLN 91 -43.029 55.695 -32.572 1.00 37.52 ATOM 1492 HA GLN 91 -41.925 58.180 -31.586 1.00 41.12 ATOM 1493 CB GLN 91 -43.610 58.218 -32.907 1.00 71.21 ATOM 1494 HB1 GLN 91 -42.900 58.392 -33.704 1.00 37.52 ATOM 1495 HB2 GLN 91 -44.042 59.165 -32.616 1.00 51.14 ATOM 1496 CG GLN 91 -44.730 57.330 -33.452 1.00 2.35 ATOM 1497 HG1 GLN 91 -45.422 57.110 -32.652 1.00 37.52 ATOM 1498 HG2 GLN 91 -44.300 56.408 -33.817 1.00 75.32 ATOM 1499 CD GLN 91 -45.495 57.990 -34.586 1.00 11.13 ATOM 1500 OE1 GLN 91 -45.140 57.862 -35.754 1.00 5.41 ATOM 1501 NE2 GLN 91 -46.548 58.705 -34.251 1.00 32.14 ATOM 1502 HE21 GLN 91 -46.779 58.772 -33.303 1.00 22.44 ATOM 1503 HE22 GLN 91 -47.053 59.142 -34.967 1.00 23.54 ATOM 1504 CA GLN 91 -42.852 57.631 -31.701 1.00 50.13 ATOM 1505 C GLN 91 -43.665 57.792 -30.395 1.00 20.22 ATOM 1506 OT1 GLN 91 -43.054 58.108 -29.348 1.00 37.52 ATOM 1507 OT2 GLN 91 -44.901 57.587 -30.408 1.00 37.52 ATOM 1508 OH2 TIP3 1 -45.388 42.876 -27.541 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -45.404 41.997 -27.152 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -44.929 43.428 -26.873 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -38.224 47.126 -26.978 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -38.869 46.804 -26.322 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -38.500 46.705 -27.810 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -48.238 47.442 -28.465 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -48.758 47.365 -27.635 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -47.877 46.537 -28.602 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -45.486 43.594 -30.324 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -45.326 43.183 -29.458 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -44.596 43.804 -30.657 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -39.137 43.140 -28.989 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -39.031 44.118 -29.121 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -38.740 42.754 -29.787 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -41.737 42.447 -28.727 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -40.774 42.624 -28.860 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -41.792 41.489 -28.650 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -49.296 47.111 -25.947 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -48.727 47.368 -25.213 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -49.970 46.554 -25.544 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -43.753 47.628 -28.678 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -42.942 47.231 -29.053 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -43.813 48.498 -29.101 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -42.711 44.047 -30.734 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -42.481 43.444 -29.997 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -42.359 44.916 -30.448 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -41.204 43.145 -22.319 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -41.733 43.919 -22.618 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -41.845 42.579 -21.876 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -37.987 43.332 -26.427 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -38.527 43.111 -27.215 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -38.645 43.463 -25.713 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -36.482 46.530 -10.302 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -36.286 46.558 -11.260 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -37.353 46.124 -10.253 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -38.314 34.389 -12.817 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -38.697 34.660 -11.979 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -38.851 34.835 -13.480 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -41.792 44.563 -27.026 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -42.657 44.571 -26.561 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -41.827 43.755 -27.581 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -43.654 53.918 -34.383 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -44.464 54.079 -34.921 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -43.704 52.971 -34.161 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -45.358 55.370 -28.795 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -45.626 54.553 -29.259 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -45.184 56.012 -29.514 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -46.734 52.570 -33.845 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -46.621 53.016 -34.711 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -47.135 51.704 -34.069 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -52.287 55.383 -32.963 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -52.756 54.656 -33.383 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -51.682 54.938 -32.318 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -47.671 55.569 -34.775 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -48.359 56.090 -35.236 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -47.735 55.858 -33.842 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -47.321 49.841 -33.729 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -46.623 49.655 -33.073 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -47.328 49.062 -34.293 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -45.846 54.080 -36.016 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -46.155 54.024 -36.950 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -46.465 54.730 -35.600 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -48.010 56.296 -32.156 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -47.844 56.660 -31.259 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -48.854 56.716 -32.434 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -44.366 51.269 -33.820 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -44.526 50.476 -33.263 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -45.143 51.845 -33.642 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -52.205 54.215 -28.852 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -53.150 54.379 -28.780 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -51.790 55.072 -28.576 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -45.942 56.584 -39.667 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -45.484 57.083 -40.354 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -45.274 56.511 -38.938 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -42.251 54.624 -36.588 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -42.642 54.497 -35.694 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -42.461 53.807 -37.054 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -49.563 57.140 -36.010 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -50.473 57.492 -36.170 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -49.096 57.294 -36.860 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -50.473 52.153 -28.643 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -50.948 51.428 -29.056 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -51.119 52.896 -28.641 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -44.073 56.455 -37.738 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -43.355 55.893 -37.386 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -44.418 56.924 -36.951 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -51.241 59.238 -28.572 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -51.346 59.925 -29.253 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -51.538 59.660 -27.764 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -47.781 60.597 -36.176 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -48.431 60.277 -36.831 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -47.963 61.558 -36.112 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -45.232 60.258 -37.109 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -45.009 59.370 -36.772 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -46.109 60.445 -36.716 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -38.470 43.504 -31.749 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -38.621 44.479 -31.662 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -39.342 43.156 -32.049 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -46.375 49.325 -27.544 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -47.127 48.870 -27.974 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -45.917 48.616 -27.064 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -42.275 50.588 -35.510 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -43.140 50.744 -35.079 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -41.623 50.859 -34.837 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -47.774 53.651 -31.612 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -47.810 54.605 -31.847 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -47.393 53.222 -32.416 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -39.949 48.474 -32.736 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -39.527 47.715 -32.267 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -40.817 48.137 -32.989 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -42.006 59.765 -27.528 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -42.491 59.267 -28.232 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -42.573 60.538 -27.347 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -48.131 52.915 -27.476 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -48.965 52.616 -27.913 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -48.063 52.359 -26.693 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -52.035 58.189 -36.226 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -52.287 59.051 -36.577 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -52.577 58.092 -35.410 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -47.075 54.289 -38.458 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -46.721 55.065 -38.924 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -48.047 54.373 -38.559 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -49.678 55.135 -38.773 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -50.444 55.143 -38.195 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -49.373 56.065 -38.783 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -41.469 46.096 -29.312 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -41.542 45.710 -28.415 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -40.509 46.048 -29.515 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -45.471 54.892 -41.859 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -46.137 54.224 -42.026 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -45.727 55.279 -41.010 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -45.148 49.370 -31.986 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -44.845 49.831 -31.174 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -45.797 48.709 -31.651 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -40.078 50.994 -33.791 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -39.690 51.523 -33.076 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -40.114 50.082 -33.421 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -47.918 63.462 -28.454 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -48.200 62.610 -28.850 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -48.487 64.133 -28.900 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -47.565 57.335 -29.720 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -46.585 57.355 -29.636 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -47.857 56.738 -28.994 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -46.265 52.829 -29.509 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -46.816 53.032 -30.300 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -46.904 52.842 -28.764 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -50.604 54.035 -31.342 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -49.659 53.780 -31.331 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -50.861 54.042 -30.405 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -44.778 50.443 -29.463 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -45.149 51.350 -29.524 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -45.308 50.017 -28.754 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -47.414 48.251 -30.989 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -48.122 48.799 -31.342 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -47.751 47.954 -30.116 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -45.478 46.562 -26.900 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -46.124 46.099 -27.472 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -44.815 46.927 -27.534 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -41.379 60.207 -34.910 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -41.656 60.676 -34.097 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -41.852 60.676 -35.625 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -39.388 52.088 -36.256 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -39.602 51.785 -35.353 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -39.628 51.332 -36.822 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -39.514 54.823 -36.451 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -39.373 53.848 -36.442 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -40.488 54.923 -36.523 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -39.636 51.175 -29.469 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -39.030 50.909 -30.185 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -39.835 50.355 -29.008 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -42.876 61.663 -36.758 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -42.444 61.636 -37.634 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -43.739 61.218 -36.903 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -51.040 56.512 -28.172 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -50.092 56.326 -28.003 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -51.063 57.469 -28.391 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -51.262 59.594 -32.523 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -50.813 58.760 -32.788 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -50.984 60.244 -33.202 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -53.229 57.883 -33.776 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -52.850 58.494 -33.122 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -53.072 56.997 -33.395 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -50.251 57.233 -33.381 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -50.948 56.545 -33.291 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -50.017 57.213 -34.337 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -40.991 42.795 -32.539 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -41.673 43.236 -31.989 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -41.437 42.623 -33.375 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -37.716 44.890 -35.846 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -37.477 44.097 -35.331 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -37.743 45.605 -35.183 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -40.608 59.121 -40.050 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -40.381 58.278 -40.452 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -40.001 59.190 -39.279 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -47.047 44.982 -28.563 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -46.716 44.739 -29.455 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -46.849 44.198 -28.022 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -37.616 47.034 -15.567 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -37.276 47.939 -15.697 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -38.590 47.153 -15.508 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -46.010 53.758 -23.484 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -46.193 53.105 -22.803 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -45.784 53.225 -24.273 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -45.270 52.225 -25.777 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -45.502 51.829 -26.630 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -44.938 53.128 -26.012 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -44.156 44.510 -25.641 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -44.657 45.309 -25.934 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -43.941 44.691 -24.708 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -39.846 55.981 -25.543 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -40.173 55.076 -25.557 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -40.072 56.330 -26.426 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -45.322 60.469 -28.458 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -45.122 59.573 -28.109 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -46.211 60.666 -28.103 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -46.277 63.006 -26.258 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -46.850 62.611 -25.571 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -46.896 63.226 -26.984 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -44.462 54.745 -26.319 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -43.923 55.506 -26.036 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -44.832 55.023 -27.190 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -43.713 50.188 -24.614 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -44.287 50.860 -25.039 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -44.258 49.837 -23.877 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -41.478 50.309 -23.051 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -42.231 50.344 -23.684 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -40.976 51.104 -23.239 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -44.883 58.036 -27.340 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -44.466 57.865 -28.220 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -44.211 57.730 -26.698 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -42.854 56.946 -25.804 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -42.234 56.749 -26.538 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -42.321 57.453 -25.177 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -47.144 57.665 -25.925 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -46.717 57.132 -25.212 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -46.410 57.834 -26.563 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -38.373 59.844 -23.631 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -39.160 60.006 -24.191 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -37.806 60.633 -23.789 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -45.753 56.453 -23.966 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -44.792 56.507 -23.983 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -45.936 55.504 -23.771 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -47.800 59.225 -23.681 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -47.631 58.643 -24.448 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -47.588 58.676 -22.918 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -48.151 61.704 -24.691 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -48.019 60.840 -24.232 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -48.699 62.212 -24.083 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -47.782 60.184 -27.059 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -47.760 59.281 -26.685 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -47.955 60.758 -26.286 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -48.446 55.706 -27.703 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -48.046 56.147 -26.933 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -48.227 54.757 -27.579 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -41.142 56.687 -28.011 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -41.874 57.241 -28.378 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -40.670 56.375 -28.806 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -45.666 64.743 -29.283 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -46.471 64.293 -28.937 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -45.103 64.851 -28.505 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -44.588 49.097 -22.246 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -43.783 48.571 -22.064 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -44.946 49.287 -21.375 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -40.246 47.746 -15.438 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -40.897 47.628 -16.138 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -40.771 47.929 -14.651 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -42.058 47.922 -21.953 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -41.722 48.830 -22.149 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -41.253 47.426 -21.671 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -42.346 47.622 -24.711 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -42.261 47.941 -23.792 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -42.838 48.332 -25.163 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -39.784 46.466 -21.479 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -39.101 46.483 -22.157 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -39.367 45.989 -20.730 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -36.685 40.404 -20.621 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -37.384 41.086 -20.711 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -37.171 39.574 -20.574 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -40.151 42.972 -18.608 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -39.776 43.848 -18.823 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -40.434 43.052 -17.692 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -42.731 45.317 -23.194 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -42.589 45.984 -23.897 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -42.687 45.832 -22.373 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -48.620 61.010 -29.516 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -48.047 60.525 -30.139 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -48.453 60.575 -28.647 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -43.212 63.548 -34.703 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -43.115 63.072 -35.551 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -42.869 62.919 -34.039 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -46.853 66.107 -31.502 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -46.336 65.882 -30.704 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -46.262 65.856 -32.245 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -41.967 61.356 -39.382 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -41.509 60.518 -39.641 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -42.757 61.371 -39.937 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -45.741 63.563 -40.712 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -44.850 63.666 -40.296 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -45.685 64.084 -41.516 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -45.107 65.023 -33.397 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -45.923 64.744 -33.877 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -44.370 64.681 -33.957 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -50.915 64.350 -36.694 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -51.454 65.037 -37.097 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -50.826 64.636 -35.750 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -45.469 63.085 -31.473 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -45.236 63.697 -32.204 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -45.547 63.670 -30.689 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -51.017 61.531 -36.653 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -51.147 62.492 -36.769 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -50.804 61.435 -35.702 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -47.397 63.989 -34.292 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -47.733 63.825 -35.199 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -47.591 63.162 -33.812 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -49.287 66.985 -32.591 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -49.194 67.940 -32.629 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -48.389 66.665 -32.361 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -50.335 61.773 -33.953 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -49.412 61.836 -33.634 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -50.804 62.479 -33.464 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -47.349 62.180 -39.032 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -46.615 61.668 -38.661 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -46.922 62.746 -39.719 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -49.311 60.315 -38.477 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -50.049 60.749 -37.993 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -48.795 61.061 -38.849 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -43.664 61.296 -30.522 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -44.159 60.800 -29.837 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -44.336 61.904 -30.907 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -50.783 65.274 -34.158 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -51.030 64.670 -33.431 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -50.219 65.951 -33.723 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -51.592 63.537 -32.149 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -52.478 63.847 -31.933 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -51.392 62.874 -31.450 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -47.719 61.804 -32.678 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -47.021 62.323 -32.225 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -47.613 60.903 -32.315 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -47.028 59.469 -31.288 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -47.500 58.741 -30.825 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -46.089 59.306 -31.078 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -51.155 61.366 -30.457 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -51.220 60.673 -31.156 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -50.221 61.312 -30.151 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -49.117 65.269 -30.092 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -48.340 65.563 -30.605 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -49.869 65.549 -30.626 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -40.037 60.332 -25.723 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -40.133 61.287 -25.902 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -40.749 59.922 -26.258 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -41.696 65.923 -38.953 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -40.778 65.586 -39.063 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -41.648 66.488 -38.180 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -41.299 62.371 -29.534 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -40.892 62.780 -30.324 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -42.132 61.979 -29.869 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -39.540 59.289 -28.829 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -40.382 59.550 -28.400 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -39.817 58.787 -29.607 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -48.371 63.240 -36.714 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -49.257 63.645 -36.830 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -48.052 63.093 -37.629 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -39.199 64.852 -39.101 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -39.220 63.891 -38.885 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -38.386 64.963 -39.599 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -48.594 57.652 -38.523 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -48.852 58.595 -38.643 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -47.730 57.581 -38.963 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -43.215 63.818 -39.801 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -42.537 63.183 -39.519 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -42.828 64.694 -39.575 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -41.002 62.712 -26.889 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -41.945 62.673 -26.630 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -41.023 62.609 -27.872 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -38.290 63.108 -26.900 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -38.118 64.024 -27.144 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -39.272 63.053 -26.849 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -43.736 62.097 -26.940 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -44.214 61.622 -27.647 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -44.449 62.538 -26.432 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -20.498 20.801 -8.878 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -19.706 21.029 -9.372 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -21.162 21.462 -9.171 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -24.515 21.880 -8.887 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -23.654 22.286 -9.141 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -24.754 21.341 -9.648 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -16.258 18.304 -12.614 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -16.245 17.722 -11.833 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -15.313 18.514 -12.774 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -22.121 22.759 -9.895 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -21.797 23.638 -9.586 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -22.078 22.819 -10.875 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -22.812 27.895 -10.595 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -22.758 28.372 -11.445 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -22.000 27.335 -10.578 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -34.216 20.481 -3.038 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -34.471 20.467 -2.098 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -34.827 19.873 -3.457 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -24.723 20.529 -6.475 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -25.668 20.438 -6.261 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -24.713 21.029 -7.319 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -20.197 27.471 -12.872 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -20.353 27.110 -11.965 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -20.041 26.687 -13.412 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -19.659 24.292 -12.253 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -20.377 23.637 -12.361 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -20.041 24.969 -11.647 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -21.150 18.307 -7.993 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -21.292 17.875 -8.867 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -20.929 19.241 -8.222 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -21.847 22.555 -12.622 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -22.290 21.715 -12.787 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -21.576 22.864 -13.522 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -19.764 14.548 -9.479 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -19.283 14.222 -10.265 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -20.344 13.800 -9.229 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -26.754 26.170 -10.106 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -25.894 26.421 -10.473 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -26.536 25.467 -9.450 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -25.842 24.263 -8.390 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -25.516 23.345 -8.446 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -25.048 24.810 -8.597 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -30.464 29.071 -12.075 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -30.944 28.285 -12.355 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -29.538 28.750 -11.930 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -27.980 28.204 -11.497 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -27.159 28.675 -11.752 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -27.663 27.457 -10.949 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -23.897 15.850 -0.644 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -23.167 15.412 -1.127 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -24.576 15.150 -0.553 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -25.577 17.131 1.156 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -26.192 17.797 0.790 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -25.050 16.838 0.382 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -35.874 18.982 6.883 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -35.570 18.223 7.428 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -36.644 19.315 7.352 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -25.656 18.905 5.403 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -25.081 18.472 4.741 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -26.038 18.159 5.910 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -18.033 7.625 4.245 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -18.929 7.267 4.270 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -17.476 6.856 3.964 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -18.826 11.789 6.231 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -18.812 12.463 6.926 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -19.732 11.859 5.851 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -27.994 15.646 4.136 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -27.479 16.079 4.836 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -28.863 15.497 4.540 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -31.803 19.095 6.205 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -32.608 19.548 5.869 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -31.515 18.540 5.462 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -30.219 16.556 -2.208 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -30.788 16.045 -2.794 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -30.835 16.892 -1.510 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -18.952 15.417 5.005 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -19.488 15.025 4.307 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -18.842 16.352 4.729 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -21.934 14.462 -2.033 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -21.772 14.577 -2.989 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -21.037 14.349 -1.653 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -24.474 15.321 9.203 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -25.000 14.831 8.533 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -24.126 14.623 9.792 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -28.732 16.728 1.623 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -28.413 16.343 2.464 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -29.663 16.982 1.815 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -31.239 17.418 2.357 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -31.193 16.974 3.235 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -31.935 18.102 2.476 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -24.879 15.584 -3.732 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -24.867 14.666 -4.025 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -25.337 16.067 -4.464 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -32.345 18.803 10.003 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -33.290 18.598 9.966 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -32.207 19.148 10.921 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -22.730 23.690 -7.022 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -22.441 22.777 -7.097 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -22.080 24.196 -7.570 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -34.965 16.882 8.401 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -35.272 15.980 8.533 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -34.033 16.780 8.104 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -20.080 15.885 -7.048 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -20.546 16.708 -7.306 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -19.931 15.416 -7.898 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -28.230 15.321 -0.678 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -28.967 15.616 -1.253 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -28.397 15.779 0.177 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -26.650 16.862 6.900 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -26.196 16.024 7.128 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -26.541 17.424 7.704 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -25.989 14.725 2.420 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -26.753 14.843 3.023 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -25.873 15.611 2.009 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -24.217 17.625 3.446 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -24.796 17.410 2.678 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -23.562 18.235 3.081 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -31.200 16.473 4.900 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -31.986 16.129 5.350 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -30.502 16.454 5.596 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -29.839 21.489 -4.888 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -29.829 22.451 -5.099 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -30.706 21.190 -5.192 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -27.362 19.974 -5.208 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -28.155 20.521 -5.374 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -27.684 19.269 -4.598 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -29.322 16.317 6.829 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -28.368 16.537 6.841 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -29.622 16.513 7.742 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -26.415 16.967 -1.857 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -26.984 16.322 -1.390 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -25.819 16.412 -2.400 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -25.513 20.338 -0.676 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -26.211 19.866 -0.173 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -26.002 20.842 -1.341 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -32.027 17.196 -0.286 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -31.658 17.190 0.618 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -32.965 17.441 -0.157 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -23.287 17.057 -6.761 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -23.189 16.207 -7.235 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -22.594 17.631 -7.156 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -29.226 20.652 -2.333 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -29.663 20.957 -3.157 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -28.944 19.731 -2.540 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -27.617 19.101 0.663 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -28.340 19.764 0.660 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -28.055 18.273 0.954 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -29.743 20.895 0.324 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -30.708 20.846 0.452 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -29.620 20.759 -0.643 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -24.440 12.338 5.883 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -23.861 11.574 5.983 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -24.267 12.653 4.969 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -23.792 13.429 3.454 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -23.232 13.175 2.706 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -24.592 13.822 3.033 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -35.539 20.358 -0.595 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -35.414 20.834 0.252 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -36.142 20.944 -1.110 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -35.168 21.883 1.671 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -35.144 22.815 1.355 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -35.527 21.945 2.565 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -31.700 19.830 12.414 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -31.224 20.674 12.239 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -31.539 19.657 13.346 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -26.909 21.816 -3.118 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -27.743 21.509 -2.703 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -26.762 21.184 -3.848 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -23.799 25.802 -9.191 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -23.654 26.639 -9.685 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -22.889 25.479 -9.008 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -30.267 17.085 9.346 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -30.940 17.754 9.603 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -29.683 17.029 10.117 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -25.865 17.152 -5.695 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -26.280 18.027 -5.722 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -25.099 17.230 -6.300 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -25.156 16.090 11.745 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -25.011 16.166 10.780 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -24.706 15.258 11.982 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -23.053 14.814 -8.564 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -23.912 14.515 -8.882 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -22.489 14.009 -8.603 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -25.970 14.133 7.243 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -26.821 13.681 7.214 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -25.360 13.528 6.752 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -23.444 13.881 11.473 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -23.309 13.047 11.947 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -22.551 14.291 11.457 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -30.782 26.122 -3.746 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -31.697 26.408 -3.559 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -30.390 26.880 -4.240 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -37.506 24.605 -0.442 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -38.421 24.612 -0.791 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -37.460 25.414 0.112 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -40.156 24.986 -1.125 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -40.782 24.968 -0.390 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -40.630 24.562 -1.853 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -20.476 14.824 -4.480 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -19.758 15.344 -4.080 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -20.470 15.100 -5.425 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -25.860 13.945 -0.231 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -26.740 14.215 -0.569 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -25.958 13.990 0.744 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -23.421 12.650 -0.443 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -23.002 13.253 -1.085 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -24.366 12.900 -0.460 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -18.948 15.773 10.009 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -18.374 15.007 10.229 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -19.281 15.568 9.110 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -18.588 10.836 10.358 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -18.578 9.964 9.894 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -19.447 10.858 10.796 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -21.298 12.351 5.257 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -21.116 12.624 4.333 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -21.983 12.962 5.554 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -22.110 15.172 7.598 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -22.842 15.390 8.199 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -22.472 15.362 6.702 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -30.979 20.603 8.423 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -31.127 20.228 7.530 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -31.501 20.018 9.013 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -34.142 22.778 6.494 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -34.075 23.279 7.330 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -33.497 23.214 5.902 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -32.024 23.614 4.949 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -31.345 23.907 5.606 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -31.661 22.801 4.583 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -33.258 19.165 2.834 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -33.657 19.580 3.630 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -34.014 18.777 2.359 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -34.646 17.978 0.400 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -34.903 18.820 -0.042 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -35.411 17.408 0.282 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -36.803 22.364 -1.861 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -37.058 23.190 -1.400 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -36.355 22.666 -2.659 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -28.295 18.266 -3.271 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -27.493 17.917 -2.812 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -29.012 17.658 -2.986 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -29.745 24.217 -5.400 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -30.174 24.829 -4.756 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -29.793 24.691 -6.243 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -22.944 20.490 17.958 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -22.878 19.623 17.487 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -23.253 20.246 18.863 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -25.711 20.947 17.735 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -25.884 21.043 16.788 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -24.754 20.809 17.787 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -21.639 20.766 23.769 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -21.260 20.673 24.666 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -21.463 21.705 23.537 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -25.000 21.565 15.052 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -24.614 22.278 15.614 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -25.467 22.051 14.341 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -22.196 21.004 15.335 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -23.099 21.123 14.998 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -22.308 20.967 16.305 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -22.468 17.826 27.118 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -23.090 17.871 26.360 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -22.643 16.965 27.514 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -18.717 17.000 21.790 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -19.345 16.359 21.394 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -18.160 16.455 22.377 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -22.885 18.122 16.593 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -23.517 17.985 15.862 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -22.333 17.315 16.580 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -24.195 19.813 20.246 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -24.184 19.750 21.224 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -25.093 20.111 20.035 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -28.471 23.904 12.415 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -27.583 23.493 12.487 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -28.555 24.440 13.234 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -22.156 20.346 28.252 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -22.288 19.429 27.933 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -22.697 20.402 29.044 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -28.944 25.614 14.556 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -28.195 25.720 15.189 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -29.722 25.563 15.121 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -23.438 21.899 11.542 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -23.440 22.480 10.756 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -22.500 21.885 11.831 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -24.247 17.460 14.179 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -24.678 16.717 13.728 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -24.801 18.235 13.937 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -22.757 17.441 20.916 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -23.023 17.953 21.707 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -23.213 17.889 20.186 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -24.605 19.688 10.475 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -24.143 20.465 10.851 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -24.162 18.932 10.877 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -21.234 12.664 13.141 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -20.535 12.593 13.834 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -20.961 13.436 12.603 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -19.716 18.333 26.517 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -20.631 18.098 26.766 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -19.717 18.300 25.531 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -23.665 19.158 22.916 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -23.896 18.669 23.730 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -22.936 19.761 23.197 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -21.629 16.872 13.669 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -21.450 16.464 14.550 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -22.584 17.103 13.707 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -20.446 19.283 14.113 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -21.010 18.513 13.896 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -21.075 19.938 14.501 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -27.378 17.813 11.548 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -27.120 18.459 12.228 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -26.747 17.078 11.670 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -25.793 19.538 13.313 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -25.764 20.102 12.526 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -25.621 20.155 14.055 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -31.871 27.095 10.180 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -31.190 26.396 10.301 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -31.460 27.898 10.581 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -19.496 23.373 18.317 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -20.000 24.162 18.024 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -18.602 23.505 17.929 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -28.664 21.097 9.804 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -29.070 21.256 10.674 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -29.403 20.755 9.257 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -32.393 16.729 7.540 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -31.678 16.597 8.191 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -32.221 17.621 7.174 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -26.676 18.705 8.987 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -27.212 18.423 9.757 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -25.879 19.114 9.393 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -20.975 15.026 11.766 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -21.208 15.786 12.341 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -20.350 15.402 11.110 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -28.536 27.538 9.145 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -29.028 27.053 9.838 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -28.435 28.444 9.510 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -26.169 19.935 25.658 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -26.953 20.162 26.170 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -25.952 20.747 25.184 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -21.449 15.797 16.137 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -20.926 15.542 16.935 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -21.947 14.975 15.906 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -20.051 14.990 18.270 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -19.777 14.050 18.341 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -20.280 15.241 19.189 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -24.541 17.833 25.245 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -25.193 17.149 25.053 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -25.085 18.629 25.464 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -18.603 17.221 13.836 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -19.208 16.618 13.382 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -19.154 18.012 14.027 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -22.703 13.525 15.321 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -23.216 12.773 15.630 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -22.225 13.185 14.536 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -25.904 22.785 12.754 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -25.706 23.643 13.208 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -25.080 22.572 12.274 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -21.989 24.779 21.239 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -22.359 24.173 20.556 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -22.491 25.616 21.112 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -24.202 23.459 9.294 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -24.584 22.705 8.824 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -24.755 24.212 9.025 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -17.022 42.316 -27.342 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -17.322 43.259 -27.346 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -16.587 42.203 -28.192 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -23.058 45.789 -28.065 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -23.727 46.246 -28.600 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -23.535 45.015 -27.703 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -24.966 44.005 -27.086 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -24.697 43.885 -26.142 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -25.318 43.130 -27.342 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -36.367 44.604 -28.237 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -37.053 45.186 -28.613 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -36.814 44.162 -27.492 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -31.408 44.809 -28.012 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -31.633 45.637 -27.520 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -31.597 45.028 -28.940 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -27.784 41.810 -25.327 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -27.114 41.800 -26.045 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -27.578 41.003 -24.804 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -25.704 41.289 -27.129 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -24.763 41.103 -27.014 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -26.112 40.399 -27.246 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -25.893 46.370 -28.124 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -26.794 46.281 -28.505 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -25.701 45.484 -27.750 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -25.668 49.267 -30.619 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -25.224 49.810 -31.295 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -26.493 48.973 -31.055 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -35.841 43.330 -30.673 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -36.747 43.360 -31.026 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -35.919 43.717 -29.777 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -33.585 44.426 -31.793 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -34.300 43.914 -31.361 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -33.990 44.739 -32.627 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -24.082 40.507 -21.194 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -23.449 40.557 -20.452 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -23.661 41.038 -21.900 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -30.831 34.894 -21.992 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -30.522 34.002 -22.180 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -31.705 34.934 -22.395 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -27.617 34.070 -16.061 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -27.682 33.365 -15.382 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -28.325 34.680 -15.835 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -32.411 40.673 -13.620 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -33.172 41.161 -14.003 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -32.021 40.196 -14.391 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -30.778 36.500 -15.288 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -31.690 36.127 -15.266 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -30.294 35.980 -14.613 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -22.800 29.297 -13.034 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -22.811 30.054 -13.666 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -22.032 28.771 -13.309 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -28.092 32.104 -14.107 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -27.722 31.238 -14.397 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -28.988 31.879 -13.773 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -25.602 29.462 -12.222 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -24.635 29.404 -12.366 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -25.726 30.306 -11.746 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -30.313 39.561 -20.545 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -29.506 39.904 -20.090 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -30.180 38.586 -20.559 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -23.017 36.842 -21.262 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -22.467 37.374 -20.640 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -23.741 36.479 -20.691 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -31.362 39.361 -15.771 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -31.513 39.628 -16.696 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -31.173 38.407 -15.823 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -30.988 36.341 -9.796 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -31.866 36.478 -10.198 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -30.363 36.634 -10.484 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -33.310 36.877 -11.172 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -32.875 37.754 -11.295 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -34.147 37.088 -10.741 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -21.104 40.574 -24.918 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -20.740 41.187 -25.589 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -20.310 40.132 -24.540 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -36.127 42.397 -16.750 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -36.578 41.866 -17.414 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -36.430 43.308 -16.924 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -29.302 25.888 -9.096 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -28.401 26.014 -9.462 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -29.627 25.099 -9.535 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -29.955 34.632 -13.406 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -29.644 33.712 -13.422 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -30.886 34.564 -13.094 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -27.217 29.539 -14.445 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -26.564 29.499 -13.714 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -27.353 28.620 -14.689 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -30.440 31.719 -12.828 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -31.132 32.087 -12.243 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -30.504 30.749 -12.690 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -27.066 37.455 -20.206 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -27.985 37.205 -20.448 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -26.711 37.884 -21.011 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -22.448 37.266 -14.047 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -22.018 36.986 -14.885 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -23.382 37.087 -14.192 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -27.968 35.772 -9.466 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -28.525 35.630 -8.684 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -27.320 36.444 -9.185 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -27.247 39.331 -24.195 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -26.518 39.055 -23.588 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -28.051 39.101 -23.713 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -32.147 32.469 -10.749 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -31.508 31.908 -10.261 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -33.028 32.114 -10.476 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -26.000 46.109 -22.672 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -26.749 46.361 -22.086 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -26.408 45.505 -23.333 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -25.567 33.945 -17.832 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -26.290 34.097 -17.175 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -25.762 33.075 -18.196 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -33.025 42.952 -17.291 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -32.579 42.187 -17.710 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -33.355 42.599 -16.446 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -32.059 40.592 -18.559 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -31.345 40.273 -19.145 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -32.825 40.700 -19.156 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -29.505 39.246 -12.487 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -29.639 39.133 -13.436 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -29.195 38.363 -12.180 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -29.041 36.653 -11.798 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -28.550 36.248 -11.044 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -29.246 35.893 -12.385 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -26.821 38.828 -26.879 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -27.001 38.962 -25.924 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -27.279 38.011 -27.094 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -25.514 38.490 -22.274 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -25.122 39.312 -21.885 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -24.835 37.814 -22.123 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -34.281 42.393 -14.740 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -34.986 42.275 -15.420 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -34.722 42.926 -14.031 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -30.537 41.015 -24.709 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -31.031 41.468 -25.424 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -29.610 41.254 -24.874 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -30.725 36.293 -18.005 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -30.510 36.365 -17.052 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -31.669 36.114 -18.020 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -30.572 30.413 -9.661 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -30.582 29.887 -10.486 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -30.283 29.775 -8.975 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -32.158 40.184 -22.412 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -31.460 39.964 -21.754 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -31.664 40.330 -23.241 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -27.143 31.667 -11.205 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -27.370 32.062 -12.065 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -27.969 31.263 -10.905 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -24.950 35.855 -19.720 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -25.149 35.173 -19.046 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -25.765 36.405 -19.753 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -29.706 36.890 -20.476 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -29.982 36.630 -19.564 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -30.096 36.192 -21.051 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -34.007 41.075 -20.559 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -33.445 40.681 -21.268 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -34.879 40.631 -20.667 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -30.773 42.486 -12.351 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -31.358 41.784 -12.717 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -29.924 42.042 -12.231 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -27.137 44.389 -24.439 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -27.539 44.733 -25.255 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -27.300 43.427 -24.483 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -22.548 41.891 -23.020 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -21.789 42.146 -22.461 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -22.142 41.356 -23.745 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -30.224 34.948 -7.655 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -30.525 35.573 -8.364 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -30.769 34.161 -7.793 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -33.163 35.209 -15.117 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -32.985 34.934 -14.189 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -33.964 34.733 -15.353 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -34.414 31.241 -9.896 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -34.870 30.744 -9.182 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -35.097 31.334 -10.596 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -36.314 31.709 -11.866 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -36.834 31.082 -12.378 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -36.667 32.573 -12.119 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -32.540 34.579 -12.505 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -32.857 35.370 -12.010 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -32.496 33.869 -11.822 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -30.237 33.218 -4.223 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -30.884 32.502 -4.063 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -29.501 33.016 -3.604 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -35.369 29.714 -7.785 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -34.475 29.367 -7.591 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -35.907 29.407 -7.052 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -30.157 28.244 -7.901 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -29.896 28.161 -6.960 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -29.834 27.411 -8.315 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -27.111 24.161 -4.499 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -27.054 23.328 -3.981 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -28.015 24.144 -4.881 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -39.233 43.857 -24.026 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -39.977 43.587 -23.443 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -39.522 44.722 -24.397 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -35.477 43.308 -19.933 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -34.970 42.467 -19.913 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -35.221 43.757 -19.114 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -21.483 36.716 -23.514 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -21.713 37.284 -24.259 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -22.199 36.874 -22.858 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -21.408 34.554 -21.560 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -22.047 35.236 -21.268 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -21.366 34.671 -22.524 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -20.394 37.979 -12.432 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -19.889 38.662 -12.916 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -21.190 37.829 -12.996 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -21.402 36.440 -16.448 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -21.533 36.952 -17.261 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -21.916 35.610 -16.602 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -22.917 34.208 -17.007 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -22.468 33.754 -17.756 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -23.868 34.175 -17.244 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -31.997 39.266 -11.276 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -32.373 39.833 -11.983 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -31.035 39.260 -11.468 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -35.257 44.094 -12.867 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -35.724 44.941 -13.006 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -34.769 44.226 -12.027 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -40.223 46.029 -25.360 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -40.854 46.738 -25.103 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -40.725 45.494 -26.016 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -29.121 44.523 -26.448 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -29.949 44.541 -26.975 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -28.948 43.578 -26.312 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -32.673 29.209 -7.569 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -31.799 28.769 -7.661 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -32.651 29.914 -8.234 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -31.868 42.424 -26.678 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -31.723 43.262 -27.169 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -32.348 41.866 -27.301 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -25.284 34.698 0.833 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -25.514 34.369 -0.059 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -24.658 34.038 1.169 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -28.739 30.982 5.943 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -28.264 31.315 5.155 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -28.232 31.350 6.698 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -32.253 27.777 -0.156 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -31.642 28.225 -0.783 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -31.855 27.935 0.712 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -29.972 30.162 0.647 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -29.053 30.265 0.997 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -30.380 31.020 0.806 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -31.864 26.038 3.589 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -32.254 26.686 4.210 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -32.107 25.170 3.968 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -34.643 27.030 1.010 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -34.571 27.534 1.858 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -33.850 27.307 0.503 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -25.255 42.637 -1.563 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -25.828 42.916 -0.817 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -24.606 43.364 -1.645 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -20.606 36.176 2.019 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -20.494 35.926 1.099 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -20.131 37.032 2.096 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -25.521 33.311 -1.573 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -24.919 32.729 -1.069 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -25.209 33.240 -2.487 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -21.698 30.893 1.959 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -20.848 30.473 1.698 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -21.541 31.193 2.876 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -23.355 32.898 5.071 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -23.145 33.711 4.570 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -22.624 32.283 4.850 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -29.197 37.021 1.096 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -28.221 36.992 1.146 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -29.479 37.021 2.015 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -29.613 39.580 3.274 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -30.167 39.636 4.059 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -29.021 38.811 3.453 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -29.742 40.195 0.421 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -30.671 40.409 0.195 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -29.807 39.727 1.277 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -19.243 40.318 5.067 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -19.100 40.377 6.034 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -18.545 39.701 4.760 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -27.221 41.856 -5.852 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -27.055 41.068 -6.406 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -28.000 42.284 -6.268 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -24.683 30.710 11.703 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -25.226 29.961 11.365 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -24.069 30.282 12.348 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -27.118 25.373 8.270 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -26.208 25.722 8.219 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -27.650 26.138 8.576 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -34.575 28.457 3.315 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -33.980 28.141 4.031 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -34.860 29.325 3.613 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -30.404 29.035 -1.752 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -29.656 29.254 -2.359 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -30.159 29.473 -0.902 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -25.806 29.867 -4.210 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -25.691 30.830 -4.348 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -25.033 29.609 -3.643 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -26.776 32.346 10.826 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -26.971 32.733 11.701 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -25.945 31.847 10.970 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -29.461 28.049 -5.171 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -28.548 27.952 -5.533 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -29.404 28.841 -4.601 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -37.353 26.930 1.012 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -37.566 27.324 1.867 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -36.378 27.062 0.923 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -36.132 28.125 -2.638 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -35.750 27.248 -2.756 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -37.047 27.949 -2.325 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -29.514 27.070 6.658 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -30.109 27.829 6.469 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -29.113 27.296 7.526 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -34.489 30.300 -2.802 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -35.146 30.996 -2.877 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -35.022 29.472 -2.756 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -28.422 29.963 -3.369 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -28.425 30.912 -3.122 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -27.496 29.798 -3.653 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -26.058 32.671 -4.799 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -25.161 32.743 -5.211 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -26.647 33.140 -5.428 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -27.523 30.590 1.638 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -26.579 30.477 1.393 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -27.494 31.171 2.426 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -26.924 31.945 4.074 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -26.537 32.823 3.955 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -26.290 31.481 4.666 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -30.450 35.892 -5.056 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -30.424 35.667 -6.007 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -30.431 35.024 -4.605 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -23.712 32.050 0.371 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -22.904 31.837 0.881 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -23.799 31.294 -0.266 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -25.846 36.919 5.353 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -25.108 37.197 4.773 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -25.422 36.359 6.029 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -30.878 29.401 6.445 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -31.295 29.954 7.113 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -30.072 29.911 6.179 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -19.327 37.098 5.554 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -19.749 36.207 5.568 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -19.109 37.271 6.493 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -22.478 35.276 3.803 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -21.811 35.523 3.117 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -23.121 36.008 3.778 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -33.414 38.868 -5.873 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -34.353 39.059 -5.824 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -33.186 39.020 -6.819 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -30.949 38.605 -4.753 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -31.876 38.658 -5.088 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -30.738 37.643 -4.790 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -31.797 42.901 -2.469 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -32.181 43.778 -2.663 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -32.235 42.624 -1.657 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -28.039 37.448 3.808 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -27.472 37.256 3.034 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -27.461 37.247 4.578 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -32.594 39.363 -8.445 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -32.404 39.357 -9.400 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -31.741 39.625 -8.033 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -30.363 40.110 -7.010 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -30.439 39.553 -6.209 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -29.884 40.894 -6.709 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -25.812 40.136 -0.392 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -25.426 40.928 -0.814 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -25.444 40.142 0.512 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -26.953 28.158 -6.071 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -26.462 28.784 -5.494 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -26.275 27.777 -6.639 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -30.195 40.651 -2.989 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -30.748 41.459 -2.993 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -30.609 40.070 -3.659 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -31.845 30.851 -3.366 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -31.403 30.229 -2.759 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -32.794 30.797 -3.116 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -22.024 41.290 1.498 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -22.175 40.342 1.432 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -21.116 41.364 1.865 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -32.551 21.238 1.171 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -33.494 21.502 1.213 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -32.514 20.423 1.712 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -23.884 37.876 3.613 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -22.991 38.187 3.898 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -24.302 38.672 3.232 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -27.939 32.650 -2.865 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -27.291 32.638 -3.607 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -27.406 32.930 -2.095 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -32.904 27.892 5.399 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -32.150 28.483 5.612 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -33.218 27.582 6.280 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -28.272 33.656 -6.182 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -28.765 34.180 -6.842 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -28.936 33.462 -5.490 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -24.762 32.918 7.359 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -24.847 33.894 7.401 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -24.330 32.754 6.486 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -33.458 27.222 7.971 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -32.741 27.303 8.640 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -34.272 27.252 8.496 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -29.187 26.357 3.192 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -30.118 26.044 3.208 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -29.237 27.249 3.547 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -27.187 31.927 8.094 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -27.104 32.241 9.019 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -26.315 32.146 7.692 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -26.110 28.431 11.193 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -25.777 27.596 10.855 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -26.919 28.183 11.689 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -24.584 35.694 7.500 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -24.848 36.353 8.151 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -23.624 35.560 7.671 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -33.552 24.509 8.605 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -34.031 24.835 9.397 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -33.406 25.314 8.073 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -30.198 24.455 6.759 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -30.350 24.355 7.710 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -29.984 25.408 6.647 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -30.450 29.032 11.321 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -30.767 29.659 12.017 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -29.830 29.570 10.780 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -27.525 25.619 5.251 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -27.995 25.686 4.395 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -28.120 26.068 5.881 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -30.410 22.147 11.748 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -30.807 22.599 10.978 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -29.746 22.789 12.087 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -29.499 45.814 -5.258 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -29.165 45.488 -4.386 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -30.364 45.388 -5.352 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -19.432 41.148 2.458 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -19.365 41.057 3.436 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -18.516 41.355 2.173 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -19.047 38.436 1.972 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -19.402 39.346 1.949 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -18.403 38.452 2.716 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -21.414 38.675 4.419 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -20.927 39.493 4.622 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -20.801 37.965 4.684 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -21.988 35.193 8.126 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -21.983 34.288 8.500 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -21.464 35.110 7.296 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -22.376 32.480 8.674 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -23.249 32.521 8.228 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -21.965 31.664 8.320 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -34.923 24.355 0.558 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -35.787 24.360 0.093 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -34.805 25.288 0.852 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -38.483 27.303 -1.499 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -39.171 26.618 -1.501 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -38.204 27.359 -0.566 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -24.106 42.885 2.162 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -23.756 43.768 2.343 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -23.318 42.377 1.851 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -26.465 37.047 1.574 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -26.068 36.167 1.357 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -25.704 37.644 1.618 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -32.455 40.346 -0.268 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -32.481 39.799 -1.064 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -33.170 40.004 0.281 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -33.265 26.894 -2.670 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -33.302 27.467 -3.474 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -33.284 27.524 -1.930 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -32.766 28.535 -4.823 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -32.493 29.400 -4.470 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -32.796 28.674 -5.790 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -34.108 20.309 5.295 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -34.782 19.780 5.787 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -34.170 21.207 5.701 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -20.430 25.962 17.857 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -20.562 26.741 18.443 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -21.138 26.048 17.187 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -21.034 28.204 14.863 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -20.404 28.612 15.499 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -21.590 27.624 15.418 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -23.070 27.191 20.474 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -23.725 27.916 20.351 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -22.221 27.586 20.178 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -26.917 33.264 13.452 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -27.353 34.066 13.078 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -26.262 33.616 14.071 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -24.448 31.795 14.458 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -25.134 31.711 13.782 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -23.992 30.931 14.441 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -28.104 35.221 11.950 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -28.094 34.904 11.039 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -28.655 36.011 11.924 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -22.577 35.814 11.637 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -22.935 34.963 11.319 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -22.410 35.662 12.575 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -29.848 25.346 10.505 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -30.244 24.562 10.072 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -29.254 24.965 11.188 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -28.315 30.899 13.900 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -27.774 31.709 13.816 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -27.687 30.224 14.233 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -26.080 28.228 17.172 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -26.192 28.778 16.374 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -26.525 27.388 16.941 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -31.176 23.274 9.268 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -32.086 23.563 9.023 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -31.088 22.383 8.857 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -24.476 26.163 18.330 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -24.053 26.335 19.196 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -25.035 26.948 18.179 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -28.363 27.543 12.560 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -29.182 27.979 12.247 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -28.681 26.826 13.146 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -26.687 28.732 14.480 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -25.885 28.162 14.404 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -27.323 28.329 13.858 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -30.921 30.853 13.229 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -29.967 30.876 13.488 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -31.356 31.399 13.887 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -26.873 25.711 16.342 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -26.414 25.249 17.060 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -26.286 25.578 15.554 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -19.202 29.193 16.678 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -18.663 29.822 16.145 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -18.542 28.665 17.167 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -28.523 30.263 9.855 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -28.262 30.681 9.012 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -28.064 30.794 10.530 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -21.161 37.266 9.729 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -21.565 36.899 10.547 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -21.404 36.613 9.037 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -23.209 33.086 11.221 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -23.699 32.258 11.411 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -22.798 32.920 10.345 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -21.082 30.668 17.978 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -20.427 30.199 17.422 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -21.253 31.501 17.494 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -22.475 33.559 13.846 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -23.219 33.035 14.222 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -22.571 33.445 12.878 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -23.292 29.316 13.534 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -22.382 29.073 13.794 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -23.819 28.501 13.718 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -19.156 27.203 13.096 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -19.828 27.576 13.706 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -19.603 27.202 12.223 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -20.756 28.260 19.407 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -21.029 29.089 18.949 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -19.904 28.482 19.806 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -17.473 27.183 20.784 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -18.057 26.434 21.002 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -17.506 27.234 19.802 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -22.728 26.525 16.299 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -23.289 26.465 17.105 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -23.362 26.789 15.589 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -22.832 23.195 19.059 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -22.760 22.272 18.756 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -23.487 23.590 18.461 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -23.956 23.809 16.202 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -23.242 24.439 16.371 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -24.513 24.257 15.527 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -34.423 26.251 10.598 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -34.798 26.537 11.437 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -33.496 26.575 10.624 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -27.184 51.036 -33.357 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -27.452 50.150 -33.033 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -28.008 51.561 -33.319 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -35.501 54.961 -33.425 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -36.267 55.221 -33.978 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -35.315 55.761 -32.885 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -40.457 49.776 -37.379 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -41.208 49.986 -36.772 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -40.880 49.612 -38.228 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -38.129 56.585 -38.189 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -37.302 56.068 -38.180 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -38.743 56.056 -37.643 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -29.740 52.239 -33.427 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -29.966 51.815 -34.286 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -29.962 53.171 -33.554 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -33.367 50.181 -37.753 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -33.085 50.511 -38.636 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -34.273 49.840 -37.907 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -32.876 52.255 -35.928 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -31.959 51.934 -35.852 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -33.258 51.710 -36.641 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -33.965 46.757 -35.814 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -34.244 46.124 -35.122 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -34.679 46.712 -36.481 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -29.648 55.889 -32.041 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -28.866 56.036 -32.578 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -30.165 56.723 -32.135 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -23.480 51.789 -30.112 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -23.926 51.435 -30.913 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -23.286 52.705 -30.336 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -36.016 54.914 -37.233 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -36.451 55.304 -36.447 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -35.105 54.778 -36.955 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -35.124 57.323 -32.052 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -34.310 57.766 -31.744 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -35.701 58.048 -32.319 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -35.649 51.913 -39.365 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -36.149 52.559 -38.852 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -35.917 51.047 -38.993 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -32.526 57.309 -28.716 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -32.228 56.514 -29.179 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -32.234 57.169 -27.799 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -24.995 51.628 -27.762 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -24.478 51.754 -28.581 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -25.028 50.661 -27.651 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -35.176 45.226 -33.874 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -35.909 45.879 -33.842 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -35.630 44.366 -33.990 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -28.950 46.259 -31.703 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -29.915 46.112 -31.677 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -28.644 45.983 -30.822 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -24.805 48.833 -28.113 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -25.233 47.965 -27.932 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -25.119 49.065 -29.025 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -33.215 51.174 -40.299 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -34.073 51.582 -40.039 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -33.272 51.095 -41.253 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -38.028 48.759 -36.599 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -37.915 49.084 -35.681 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -38.925 49.068 -36.856 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -24.598 50.969 -32.546 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -24.101 50.758 -33.343 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -25.519 51.127 -32.871 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -32.225 48.810 -35.644 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -32.729 47.960 -35.656 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -32.598 49.313 -36.402 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -35.965 49.345 -38.351 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -36.723 49.323 -37.732 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -35.803 48.406 -38.553 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -30.459 50.871 -35.675 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -29.875 50.607 -36.395 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -31.008 50.068 -35.504 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -36.323 46.701 -37.323 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -36.727 45.853 -37.039 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -36.984 47.374 -37.063 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -31.999 51.139 -32.231 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -32.616 51.800 -32.627 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -31.112 51.453 -32.500 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -32.363 54.423 -28.746 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -32.490 53.547 -29.193 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -33.263 54.777 -28.666 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -33.561 53.022 -33.416 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -33.389 52.835 -34.367 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -34.172 53.792 -33.430 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -30.776 58.361 -32.226 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -30.431 59.241 -32.395 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -31.648 58.522 -31.798 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -27.986 48.764 -32.054 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -28.192 47.810 -32.198 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -28.734 49.087 -31.535 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -32.869 51.999 -29.771 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -33.666 51.434 -29.677 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -32.432 51.657 -30.579 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -22.246 49.805 -28.527 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -22.466 50.550 -29.116 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -23.103 49.358 -28.383 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -36.916 43.057 -33.956 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -36.758 42.108 -33.966 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -37.453 43.202 -33.145 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -37.467 56.061 -35.128 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -37.763 56.981 -35.261 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -38.238 55.521 -35.411 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -35.549 60.416 -26.257 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -34.968 59.672 -26.051 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -36.354 59.995 -26.613 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -28.253 55.273 -23.022 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -27.322 55.382 -22.773 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -28.705 56.030 -22.592 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -27.443 55.187 -27.996 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -27.215 56.103 -28.167 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -28.292 55.057 -28.477 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -32.422 48.462 -32.817 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -32.278 49.382 -32.513 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -32.299 48.510 -33.784 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -29.778 55.192 -29.382 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -30.693 54.878 -29.260 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -29.712 55.367 -30.349 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -26.079 53.612 -26.237 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -26.438 54.181 -26.958 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -25.623 52.878 -26.717 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -25.630 53.967 -23.526 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -26.282 53.285 -23.254 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -25.607 53.895 -24.505 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -31.728 46.297 -31.247 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -32.361 45.560 -31.424 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -32.016 47.012 -31.861 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -28.516 46.088 -28.834 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -28.762 45.604 -28.030 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -29.235 46.753 -28.945 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -30.688 47.690 -29.216 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -31.391 48.320 -28.958 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -31.063 47.220 -29.994 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -39.355 62.130 -38.709 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -38.973 61.291 -38.399 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -40.281 61.909 -38.913 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -38.895 59.228 -37.907 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -39.019 59.200 -36.937 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -38.512 58.347 -38.119 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -24.335 43.380 -24.542 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -23.701 42.875 -23.990 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -24.994 43.701 -23.915 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -37.356 46.838 -33.857 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -37.475 47.801 -33.988 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -37.926 46.625 -33.078 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -20.255 48.664 -27.033 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -19.505 49.123 -27.423 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -21.040 49.066 -27.479 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -33.095 58.876 -30.880 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -33.809 59.503 -30.633 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -32.859 58.434 -30.032 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -31.466 56.487 -26.195 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -30.543 56.763 -26.120 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -31.919 56.959 -25.459 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -20.301 46.007 -27.823 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -20.282 46.944 -27.547 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -21.243 45.840 -28.030 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -40.082 63.274 -31.862 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -39.974 63.997 -32.491 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -39.168 62.911 -31.752 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -35.533 59.926 -30.176 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -35.717 59.048 -29.824 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -36.133 60.516 -29.672 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -39.179 58.546 -35.138 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -40.000 59.088 -35.098 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -39.075 58.207 -34.225 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -38.982 57.407 -32.609 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -38.622 56.499 -32.689 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -39.685 57.323 -31.949 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -30.053 51.764 -18.224 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -30.796 51.901 -18.843 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -30.460 51.839 -17.340 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -33.764 52.012 -15.803 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -34.541 52.240 -16.334 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -33.834 51.043 -15.684 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -21.591 51.716 -20.792 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -22.535 51.963 -20.938 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -21.341 52.210 -19.980 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -34.045 57.469 -21.611 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -34.874 58.007 -21.573 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -34.360 56.546 -21.535 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -28.606 54.109 -17.874 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -28.874 53.197 -18.119 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -29.451 54.560 -17.694 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -37.403 49.887 -15.633 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -36.920 50.433 -16.301 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -38.333 50.088 -15.794 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -34.270 51.066 -20.214 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -33.384 51.487 -20.189 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -34.174 50.272 -19.652 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -32.209 44.187 -14.082 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -32.913 43.554 -14.328 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -31.600 43.661 -13.524 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -31.934 52.553 -20.148 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -31.220 52.844 -20.756 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -32.382 53.389 -19.892 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -29.880 51.374 -13.017 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -29.275 51.667 -12.306 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -30.684 51.074 -12.535 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -34.087 45.420 -16.847 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -33.703 45.669 -15.997 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -33.652 44.563 -17.064 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -35.796 55.494 -23.936 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -36.676 55.901 -23.764 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -35.494 55.199 -23.050 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -23.828 55.893 -16.024 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -24.133 56.510 -15.345 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -24.631 55.382 -16.260 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -22.147 53.457 -12.739 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -21.526 53.480 -11.981 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -21.923 52.613 -13.203 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -21.650 50.923 -13.488 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -20.800 50.645 -13.885 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -22.061 50.089 -13.202 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -29.584 50.529 -22.009 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -29.982 51.377 -21.756 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -29.897 49.909 -21.340 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -36.421 52.533 -20.769 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -35.640 51.944 -20.625 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -37.013 52.009 -21.316 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -31.822 50.296 -11.378 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -31.650 49.844 -10.527 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -32.775 50.222 -11.493 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -31.054 52.397 -15.653 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -30.684 52.081 -14.805 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -32.026 52.251 -15.561 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -26.120 54.507 -16.780 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -27.013 54.452 -17.202 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -25.680 53.693 -17.055 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -27.515 52.053 -23.048 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -27.964 52.215 -23.893 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -28.058 51.357 -22.619 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -31.415 55.598 -22.790 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -32.065 56.135 -23.277 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -30.808 56.259 -22.391 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -32.788 55.049 -19.477 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -32.527 55.908 -19.840 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -32.298 54.988 -18.630 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -24.322 55.496 -21.696 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -24.779 55.027 -22.433 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -23.368 55.430 -21.929 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -31.811 48.447 -14.193 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -32.240 47.732 -13.672 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -31.047 48.708 -13.646 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -27.421 46.019 -12.212 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -27.617 45.140 -11.818 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -26.580 46.279 -11.801 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -33.936 49.282 -15.586 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -33.062 49.008 -15.214 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -34.560 49.141 -14.846 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -38.404 44.933 -19.573 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -37.992 44.152 -19.976 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -37.812 45.153 -18.820 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -20.731 53.526 -18.891 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -21.474 54.161 -18.731 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -20.000 54.090 -19.205 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -28.226 51.339 -10.695 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -27.390 51.331 -11.213 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -27.930 51.460 -9.765 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -36.094 51.234 -17.607 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -35.508 50.515 -17.931 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -36.272 51.768 -18.395 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -30.147 53.323 -22.029 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -29.192 53.468 -22.174 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -30.560 54.182 -22.293 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -29.844 49.539 -9.333 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -29.928 49.901 -8.430 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -29.440 50.268 -9.846 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -26.311 55.705 -14.288 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -27.213 55.822 -13.976 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -26.410 55.245 -15.147 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -21.827 54.711 -22.537 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -21.001 54.296 -22.235 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -21.945 54.378 -23.432 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -29.549 57.299 -21.650 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -30.212 57.957 -21.326 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -28.728 57.536 -21.184 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -31.259 54.743 -17.094 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -31.588 55.353 -16.424 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -31.166 53.887 -16.614 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -32.417 61.420 -21.373 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -31.840 62.178 -21.503 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -33.281 61.721 -21.675 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -27.455 50.018 -14.302 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -28.311 50.450 -14.117 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -26.841 50.421 -13.647 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -26.644 56.722 -20.898 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -26.677 56.311 -20.030 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -25.751 56.497 -21.236 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -35.798 49.312 -13.497 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -35.923 49.980 -12.813 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -36.439 49.566 -14.201 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -24.143 52.709 -21.049 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -24.799 52.468 -21.716 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -24.191 53.680 -21.008 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -33.579 54.598 -25.536 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -33.163 55.451 -25.740 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -34.387 54.840 -25.039 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -32.167 52.419 -23.766 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -32.935 52.861 -23.383 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -31.453 52.579 -23.121 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -34.902 54.802 -21.379 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -35.544 54.102 -21.128 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -34.225 54.767 -20.673 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -31.705 58.799 -20.958 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -32.574 58.386 -21.136 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -31.882 59.763 -21.024 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -36.501 58.550 -21.835 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -37.020 59.340 -22.051 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -36.950 57.836 -22.319 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -33.087 57.420 -24.216 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -33.388 57.620 -23.303 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -33.875 57.614 -24.773 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -28.590 53.685 -25.162 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -28.476 54.324 -24.418 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -27.711 53.674 -25.604 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -24.867 53.540 -13.318 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -23.919 53.695 -13.130 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -25.211 54.421 -13.562 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -30.889 46.948 -10.701 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -31.558 46.824 -11.406 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -31.321 47.560 -10.067 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -27.654 51.098 -7.964 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -28.480 50.916 -7.474 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -26.950 50.783 -7.366 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -31.258 44.270 -10.039 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -31.000 43.680 -10.775 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -30.798 45.114 -10.233 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -32.751 46.412 -12.662 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -33.345 46.031 -11.982 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -32.544 45.646 -13.250 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -29.511 48.437 -12.509 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -29.820 47.873 -11.765 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -29.490 49.329 -12.134 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -22.485 48.056 -7.296 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -22.956 48.188 -6.441 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -22.868 48.739 -7.885 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -26.007 51.322 -12.318 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -25.754 52.169 -12.764 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -25.213 51.090 -11.793 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -28.991 45.408 -7.940 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -28.662 46.221 -8.373 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -29.206 45.690 -7.031 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -27.871 47.734 -8.810 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -28.636 48.311 -9.046 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -27.221 47.914 -9.500 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -29.420 42.872 -7.134 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -30.168 42.612 -7.687 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -29.174 43.765 -7.471 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -31.685 48.111 -6.499 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -31.706 47.193 -6.850 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -31.719 47.994 -5.529 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -22.719 55.322 -18.487 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -22.996 55.592 -17.586 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -23.219 55.901 -19.072 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -21.323 54.965 -14.920 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -21.676 54.541 -14.115 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -22.113 55.283 -15.390 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -23.108 47.651 -26.044 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -23.676 48.304 -26.482 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -22.969 46.962 -26.725 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -20.601 49.589 -22.427 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -20.204 49.120 -21.687 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -21.122 50.299 -22.006 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -34.444 49.101 -18.250 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -34.346 48.169 -18.478 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -34.200 49.143 -17.296 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -22.652 48.749 -12.009 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -23.266 48.091 -11.651 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -21.763 48.350 -11.867 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -19.978 47.141 -14.445 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -19.777 48.104 -14.513 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -20.497 46.951 -15.242 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -20.280 48.363 -17.266 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -19.391 48.762 -17.200 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -20.880 49.095 -17.083 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -26.561 48.786 -16.793 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -26.176 49.402 -17.426 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -26.761 49.339 -16.013 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -36.767 45.100 -17.355 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -37.178 45.705 -16.698 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -35.802 45.263 -17.253 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -38.718 42.266 -20.814 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -39.198 42.294 -19.956 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -39.410 42.447 -21.474 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -36.364 46.619 -13.124 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -36.863 46.542 -13.964 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -35.968 47.514 -13.166 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -38.042 57.063 -23.701 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -38.234 58.027 -23.721 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -38.694 56.677 -24.326 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -33.839 44.919 -10.662 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -34.170 45.406 -9.884 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -32.979 44.549 -10.367 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -35.427 57.588 -25.703 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -35.665 56.820 -25.145 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -36.282 57.880 -26.083 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -22.075 44.717 -3.265 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -21.184 45.045 -3.532 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -22.620 44.823 -4.069 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -23.858 44.988 -1.249 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -23.291 44.957 -0.448 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -23.214 45.041 -1.993 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -25.104 40.199 2.340 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -26.045 40.478 2.363 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -24.609 41.024 2.503 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -26.614 50.243 -3.436 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -26.319 51.078 -3.053 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -26.373 50.315 -4.383 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -29.881 50.150 -6.576 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -30.599 49.478 -6.605 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -29.570 50.122 -5.656 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -23.740 48.784 -4.972 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -24.027 48.353 -4.135 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -23.027 49.405 -4.693 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -25.954 49.824 -6.122 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -26.559 49.049 -6.105 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -25.089 49.458 -5.822 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -23.563 50.303 -8.578 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -24.372 50.578 -8.124 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -23.645 50.696 -9.479 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -29.045 49.047 -4.020 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -28.580 48.496 -4.682 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -28.322 49.481 -3.525 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -25.154 47.915 -2.738 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -25.742 48.680 -2.880 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -25.561 47.437 -2.003 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -34.496 46.523 -8.460 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -35.336 46.639 -8.969 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -34.792 46.407 -7.528 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -32.755 45.567 -2.871 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -33.089 45.945 -2.053 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -32.217 46.285 -3.265 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -31.528 47.950 -3.674 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -31.950 48.725 -3.284 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -30.571 48.189 -3.705 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -26.508 45.574 -1.027 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -26.758 45.048 -0.245 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -25.536 45.449 -1.094 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -31.986 45.550 -7.433 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -32.848 45.740 -7.848 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -31.493 45.062 -8.121 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -28.371 44.920 -2.960 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -27.722 45.227 -2.288 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -28.705 44.088 -2.601 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -19.005 44.654 -7.222 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -18.488 45.468 -7.365 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -19.880 44.978 -6.917 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -27.735 47.760 -6.063 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -28.282 46.994 -5.787 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -27.748 47.724 -7.044 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -34.548 45.876 -5.761 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -33.743 45.341 -5.729 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -34.779 46.011 -4.837 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -32.653 48.469 -9.171 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -33.421 47.885 -9.023 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -32.274 48.592 -8.280 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -23.524 51.213 -11.145 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -23.122 51.935 -11.661 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -23.112 50.400 -11.512 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -21.649 50.569 -4.752 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -21.125 51.219 -4.275 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -21.018 50.171 -5.389 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -18.131 43.325 -5.009 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -18.647 43.972 -4.486 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -18.334 43.564 -5.939 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -21.593 45.499 -6.742 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -21.825 46.392 -7.071 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -22.394 45.207 -6.264 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -26.451 43.342 0.811 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -25.611 43.282 1.316 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -27.042 42.702 1.260 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -20.974 42.932 -1.421 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -21.276 43.558 -2.116 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -21.222 42.064 -1.760 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -21.962 44.442 0.689 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -21.117 44.743 1.045 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -21.718 43.710 0.087 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -27.707 41.205 2.036 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -28.230 40.852 2.779 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -28.242 40.981 1.250 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -26.656 41.017 -3.343 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -26.115 41.667 -2.849 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -26.818 41.447 -4.213 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -37.045 61.999 -24.654 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -37.512 62.518 -25.336 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -36.319 61.560 -25.147 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -42.189 61.773 -32.818 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -42.689 61.483 -32.026 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -41.424 62.265 -32.453 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -37.594 61.273 -28.942 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -38.361 60.663 -28.890 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -37.689 61.846 -28.153 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -37.579 62.320 -31.473 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -37.541 62.036 -30.534 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -36.920 61.768 -31.912 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -37.790 58.834 -26.741 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -38.375 59.305 -26.117 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -38.310 58.798 -27.570 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 0.949 -18.000 27.929 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 0.503 -17.623 28.717 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 0.314 -17.833 27.193 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -2.187 -15.192 27.577 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -2.258 -15.621 28.449 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -2.598 -15.831 26.964 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -0.249 -19.598 31.282 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 0.551 -19.793 31.801 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -0.638 -20.480 31.113 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -5.073 -9.989 22.698 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -4.708 -10.885 22.614 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -4.628 -9.623 23.492 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -1.007 -15.463 24.286 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -0.805 -16.229 24.862 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -0.279 -15.452 23.642 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -3.678 -14.885 24.489 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -2.713 -15.040 24.357 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -3.901 -14.200 23.840 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -5.734 -21.604 26.716 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -5.609 -21.662 27.669 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -5.630 -22.511 26.406 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -4.170 -12.809 22.541 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -5.049 -13.085 22.250 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -3.611 -12.887 21.727 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -5.618 -25.456 26.912 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -6.453 -25.517 27.390 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -5.812 -25.830 26.044 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -1.067 -9.863 24.636 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -0.596 -9.388 23.922 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -1.257 -10.746 24.251 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -0.900 -17.769 25.884 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -0.758 -18.569 25.339 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -1.880 -17.684 25.939 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -3.033 -16.673 29.762 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -3.483 -17.345 29.231 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -3.750 -16.173 30.172 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -3.578 -17.161 26.049 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -3.818 -16.421 25.446 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -4.304 -17.817 25.926 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -0.350 -17.131 30.218 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -0.338 -18.036 30.617 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -1.305 -16.929 30.116 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -5.630 -19.009 25.737 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -5.592 -19.935 26.060 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -6.488 -18.946 25.307 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -3.318 -25.898 28.358 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -4.089 -25.634 27.814 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -3.397 -26.853 28.433 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 1.704 -25.072 34.925 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 1.716 -25.930 35.365 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 2.228 -25.217 34.101 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -0.277 -23.308 33.987 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -0.952 -23.365 34.672 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 0.409 -23.946 34.273 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -0.609 -22.363 31.435 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -1.179 -22.976 30.909 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -0.579 -22.774 32.327 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -5.467 -11.015 35.143 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -4.757 -11.596 35.497 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -6.281 -11.472 35.378 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 0.893 -15.068 35.070 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 0.164 -14.456 35.318 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 0.455 -15.940 34.977 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -15.119 8.648 7.140 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -15.603 7.973 7.654 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -15.822 9.123 6.648 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -11.793 5.561 5.503 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -11.197 6.202 5.066 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -12.437 5.336 4.824 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -8.088 6.093 20.275 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -7.121 6.025 20.288 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -8.308 6.522 21.127 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -2.509 -13.065 20.401 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -2.416 -13.269 19.465 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -1.590 -13.069 20.740 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -7.836 -8.281 23.355 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -7.433 -9.139 23.533 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -7.230 -7.863 22.711 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -6.374 2.423 24.081 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -6.856 3.274 24.053 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -6.651 2.015 24.930 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -2.371 -7.428 23.099 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -2.976 -6.676 22.918 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -2.903 -8.030 23.656 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -2.495 0.473 25.526 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -2.396 -0.359 25.040 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -2.992 1.050 24.904 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -7.059 0.788 26.189 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -6.552 0.102 26.671 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -7.965 0.426 26.143 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -11.326 -0.759 27.401 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -11.734 0.050 27.773 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -11.648 -1.466 27.970 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -4.300 -5.550 22.926 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -4.849 -4.878 23.372 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -4.952 -6.162 22.518 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -8.660 -8.535 26.726 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -8.878 -7.771 26.155 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -9.512 -8.841 27.047 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -9.369 -6.646 24.818 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -8.800 -7.234 24.258 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -10.222 -6.649 24.370 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -3.597 -2.855 26.027 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -4.232 -3.109 25.328 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -2.749 -2.743 25.551 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -7.061 -1.012 23.967 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -6.665 -0.288 24.481 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -7.972 -1.074 24.313 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -4.997 1.180 28.579 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -5.191 0.357 28.080 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -4.783 1.834 27.887 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -5.575 -3.339 24.123 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -5.995 -2.473 23.908 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -6.297 -3.845 24.571 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -5.196 5.246 19.238 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -5.162 4.987 20.188 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -5.726 4.558 18.826 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -9.465 -0.433 25.441 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -10.053 -0.625 26.211 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -10.008 0.114 24.862 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -4.313 -11.477 26.777 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -5.028 -10.798 26.745 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -4.770 -12.307 26.588 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -7.775 -4.450 25.282 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -8.262 -5.289 25.136 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -8.440 -3.849 25.628 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -5.748 -7.546 21.690 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -5.685 -7.567 20.729 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -5.442 -8.441 21.972 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -6.370 0.777 21.817 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -6.400 1.501 22.466 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -6.638 -0.004 22.322 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -13.201 5.862 26.453 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -12.886 5.184 27.095 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -13.315 5.371 25.632 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -5.617 -1.241 27.376 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -6.169 -1.775 27.990 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -4.994 -1.889 26.983 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -11.643 -1.980 33.020 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -11.872 -2.681 33.635 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -10.808 -1.613 33.373 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -7.293 -2.421 29.252 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -7.919 -1.869 29.789 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -7.661 -3.313 29.310 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -6.086 -9.422 26.909 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -7.005 -9.156 26.668 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -6.024 -9.207 27.863 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -3.433 -9.237 28.228 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -4.222 -9.092 28.790 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -3.576 -10.122 27.841 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -3.784 1.652 23.393 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -4.679 1.912 23.704 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -3.726 2.038 22.508 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -2.069 -0.575 22.819 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -2.507 -1.393 22.480 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -2.790 0.085 22.854 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -1.697 -12.341 23.775 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -1.693 -12.692 24.696 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -2.604 -12.521 23.456 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -8.518 5.507 26.364 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -8.937 4.728 26.751 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -9.129 6.247 26.597 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -1.855 -12.746 26.475 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -2.705 -12.292 26.647 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -1.993 -13.661 26.830 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -12.861 8.054 23.640 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -11.932 7.802 23.672 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -12.981 8.407 22.733 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -8.720 7.369 22.699 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -9.345 8.046 22.365 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -8.386 7.749 23.542 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -7.555 5.024 23.815 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -7.947 5.743 23.278 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -7.882 5.201 24.721 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -3.793 -8.978 24.887 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -2.964 -9.418 25.158 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -4.382 -9.075 25.658 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -5.130 -3.088 35.083 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -5.674 -2.818 34.312 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -5.794 -3.245 35.790 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -4.428 -1.160 36.989 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -5.003 -1.496 37.708 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -4.599 -1.772 36.242 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -5.391 2.936 38.852 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -4.509 3.358 38.791 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -5.463 2.670 39.774 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -2.522 -3.880 34.261 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -3.337 -3.673 34.762 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -2.830 -4.000 33.343 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -9.306 -0.679 33.711 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -9.728 0.172 33.450 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -9.048 -0.538 34.653 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -6.333 0.962 37.060 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -5.510 0.448 36.974 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -6.073 1.745 37.588 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -6.213 2.762 32.855 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -7.183 2.880 32.936 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -6.114 2.021 32.212 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -7.005 -2.301 33.248 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -7.712 -1.696 33.542 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -7.489 -3.116 32.962 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -10.087 -6.196 33.294 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -11.030 -6.126 33.119 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -10.002 -6.993 33.826 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -4.630 0.130 40.443 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -4.331 0.310 41.341 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -3.852 0.302 39.893 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -5.331 -2.633 31.161 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -5.930 -2.447 31.922 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -5.921 -2.587 30.380 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -5.927 0.787 30.980 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -5.494 1.037 30.126 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -6.608 0.150 30.718 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -8.625 -0.262 36.321 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -7.774 0.209 36.510 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -9.259 0.155 36.914 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -6.487 4.098 35.312 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -6.308 3.653 34.465 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -5.657 4.007 35.807 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -8.852 -1.064 30.967 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -8.887 -1.077 31.942 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -9.729 -0.725 30.704 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -5.718 -8.795 29.654 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -6.229 -8.006 29.892 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -5.398 -9.138 30.515 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -8.076 -4.607 32.348 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -7.404 -5.296 32.154 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -8.845 -5.116 32.685 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -10.608 1.646 32.868 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -11.326 2.235 32.536 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -9.932 2.271 33.219 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -12.108 3.920 28.017 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -12.141 2.973 28.256 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -11.760 4.359 28.820 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -6.277 -6.655 31.997 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -6.234 -7.217 32.792 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -5.350 -6.578 31.708 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -12.449 3.330 31.742 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -11.996 4.000 31.188 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -13.246 3.774 32.044 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -11.252 5.350 30.238 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -10.285 5.480 30.296 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -11.609 6.254 30.259 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -7.218 -2.651 36.808 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -7.840 -1.954 36.526 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -6.914 -2.357 37.688 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -12.510 1.252 28.910 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -13.396 1.459 29.230 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -12.085 0.781 29.667 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -11.484 -0.173 30.971 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -11.197 0.523 31.601 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -11.735 -0.928 31.551 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -8.559 6.076 33.116 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -8.722 6.310 32.181 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -8.206 6.899 33.510 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 0.626 -0.090 39.873 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 1.414 -0.333 40.368 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 0.471 -0.851 39.281 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -3.188 -4.187 31.591 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -3.325 -5.156 31.480 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -4.055 -3.793 31.339 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -3.580 -6.879 31.187 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -3.788 -7.790 31.491 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -2.767 -6.989 30.649 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -6.067 -1.827 39.146 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -6.394 -2.403 39.846 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -5.691 -1.054 39.627 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -4.469 -9.319 32.095 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -4.968 -8.995 32.880 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -4.204 -10.215 32.338 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -4.021 5.198 36.221 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -3.899 5.052 37.175 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -4.690 5.910 36.172 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -3.867 -12.899 36.370 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -4.125 -13.732 36.778 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -3.210 -12.518 36.998 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -5.813 -8.408 34.276 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -5.745 -9.320 34.643 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -5.791 -7.839 35.053 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -8.753 3.453 33.760 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -8.817 4.399 33.480 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -8.322 3.496 34.633 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -7.858 20.190 -15.851 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -6.905 20.320 -16.023 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -7.914 19.276 -15.495 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -9.819 16.221 -13.899 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -9.403 16.703 -13.149 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -10.520 15.685 -13.478 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -17.290 16.499 -14.429 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -17.084 17.233 -13.821 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -17.188 15.698 -13.877 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -7.592 17.787 -14.623 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -7.702 17.833 -13.639 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -8.250 17.125 -14.898 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -13.736 19.196 -13.383 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -13.442 20.119 -13.178 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -12.959 18.654 -13.197 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -12.243 23.580 -15.181 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -11.531 24.252 -15.204 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -11.832 22.784 -15.582 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -4.365 12.949 -13.741 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -3.654 12.513 -14.220 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -4.316 12.571 -12.839 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -10.473 22.504 -11.283 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -9.610 22.823 -10.959 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -10.381 21.523 -11.275 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -9.480 19.982 -11.370 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -9.291 19.121 -11.798 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -8.688 20.148 -10.822 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -6.932 22.628 -17.072 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -7.397 23.413 -17.423 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -7.645 22.015 -16.837 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -1.890 16.330 -11.542 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -2.678 16.314 -12.129 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -1.151 16.183 -12.137 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -8.576 24.751 -17.716 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -9.292 24.736 -17.047 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -8.971 25.191 -18.476 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -10.522 21.491 -15.811 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -10.141 21.941 -15.029 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -9.866 20.810 -16.031 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -15.241 16.750 -16.220 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -16.079 16.576 -15.737 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -15.195 17.722 -16.275 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -14.658 19.432 -15.922 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -14.265 19.303 -15.028 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -13.897 19.584 -16.494 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -16.888 14.630 -12.416 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -17.642 14.067 -12.149 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -16.771 15.250 -11.661 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -20.787 23.187 -14.990 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -20.207 22.404 -15.156 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -20.420 23.874 -15.556 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -5.028 23.781 -10.249 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -4.472 23.096 -9.822 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -4.412 24.234 -10.864 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -4.644 12.229 -11.038 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -4.759 13.205 -11.014 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -5.525 11.885 -10.792 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -8.815 13.379 -7.885 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -9.525 12.754 -7.624 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -8.080 13.186 -7.252 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -13.427 15.521 -14.600 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -14.024 15.963 -15.244 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -12.820 14.998 -15.156 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -14.248 13.912 -12.556 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -13.973 14.494 -13.302 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -15.219 14.040 -12.505 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -11.437 14.124 -12.834 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -11.623 13.873 -13.764 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -12.310 14.075 -12.398 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -11.202 12.671 -9.940 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -10.874 12.344 -9.084 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -10.423 12.631 -10.528 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -4.030 16.437 -13.207 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -4.470 15.627 -13.499 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -4.249 17.098 -13.909 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -16.447 16.238 -10.281 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -15.781 15.718 -9.780 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -17.030 16.613 -9.583 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -4.596 21.024 -11.869 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -4.650 20.048 -11.759 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -4.075 21.323 -11.095 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -8.973 14.025 -15.212 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -9.235 14.900 -14.858 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -8.178 13.789 -14.695 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -7.094 20.062 -10.081 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -6.262 20.225 -9.621 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -7.111 19.084 -10.207 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -19.088 13.077 -11.791 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -19.604 13.138 -12.604 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -18.813 12.128 -11.753 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -16.873 24.069 -11.831 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -16.659 23.835 -10.905 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -17.850 24.138 -11.843 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -11.624 13.600 -15.570 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -11.804 12.898 -16.204 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -10.641 13.695 -15.589 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -9.214 12.700 -11.969 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -8.505 12.903 -12.612 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -9.996 13.191 -12.312 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -6.965 13.677 -13.340 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -6.699 14.171 -12.541 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -6.115 13.356 -13.710 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -6.908 21.723 -13.403 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -6.169 21.363 -12.870 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -7.062 21.049 -14.084 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -21.558 16.624 -10.046 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -20.765 16.064 -10.129 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -22.215 16.041 -9.621 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -15.930 12.897 -5.623 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -15.480 12.593 -6.441 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -16.767 12.395 -5.616 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -13.787 12.157 -10.477 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -14.026 12.702 -11.260 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -12.847 12.400 -10.296 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -17.310 8.495 -13.518 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -16.724 7.940 -14.037 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -16.910 8.500 -12.625 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -15.014 11.978 -8.030 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -15.144 11.020 -8.077 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -14.590 12.201 -8.889 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -10.934 11.775 -7.282 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -11.440 12.160 -6.533 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -11.410 10.938 -7.481 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -12.594 9.589 -7.334 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -12.140 8.876 -6.853 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -13.261 9.915 -6.693 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -18.472 10.435 -11.940 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -17.817 10.035 -11.342 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -18.401 9.900 -12.757 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -14.225 9.613 -9.592 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -14.005 10.461 -10.039 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -13.524 9.512 -8.914 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -5.151 20.974 -15.811 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -5.573 21.654 -16.385 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -4.491 21.478 -15.294 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -4.911 18.323 -14.919 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -5.874 18.144 -14.907 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -4.838 19.217 -15.308 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -4.784 18.335 -11.320 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -5.638 17.929 -11.037 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -4.411 17.684 -11.951 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -6.425 16.484 -7.706 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -6.392 17.288 -7.170 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -6.633 16.806 -8.612 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -2.089 14.170 -8.211 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -1.866 13.856 -7.323 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -2.327 13.355 -8.696 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -5.844 14.660 -10.929 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -6.423 14.080 -10.387 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -6.044 15.562 -10.612 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -21.528 12.525 -8.885 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -21.495 11.992 -8.053 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -21.404 11.873 -9.586 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -17.545 28.491 -12.858 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -18.489 28.235 -12.825 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -17.116 27.763 -13.337 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -12.761 21.707 -12.969 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -12.126 22.056 -12.319 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -12.768 22.375 -13.678 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -7.397 25.225 -9.510 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -6.457 25.096 -9.296 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -7.675 24.360 -9.873 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -18.313 24.994 -14.566 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -18.836 24.692 -13.792 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -17.625 24.303 -14.670 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -19.177 21.056 -15.395 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -18.311 20.891 -14.958 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -19.299 20.293 -15.968 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -16.728 20.390 -14.419 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -16.043 20.092 -15.059 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -16.703 19.709 -13.712 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -16.457 8.704 -10.869 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -15.609 9.066 -10.516 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -16.699 8.018 -10.240 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -7.670 22.793 -10.724 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -7.550 21.830 -10.601 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -6.756 23.131 -10.837 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -5.653 15.668 0.561 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -4.867 15.279 0.126 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -5.818 16.490 0.058 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -21.132 11.569 0.510 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -22.069 11.788 0.294 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -20.707 11.475 -0.360 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -11.536 9.650 3.475 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -10.912 8.902 3.523 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -11.894 9.716 4.381 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -17.100 6.855 0.687 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -17.156 7.003 -0.261 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -16.988 7.749 1.066 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -8.170 12.512 -1.016 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -8.393 11.595 -1.293 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -7.462 12.773 -1.629 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -16.095 2.959 2.252 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -16.561 2.411 1.613 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -15.545 2.341 2.741 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -6.102 20.743 4.245 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -6.059 19.766 4.166 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -6.563 20.895 5.090 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -1.738 19.253 9.411 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -2.121 18.374 9.517 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -1.252 19.206 8.568 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -6.870 15.219 6.515 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -7.443 15.950 6.206 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -6.201 15.138 5.827 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -13.304 20.270 7.748 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -12.520 19.964 8.248 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -14.046 20.162 8.382 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -17.251 23.181 6.307 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -17.227 23.508 5.403 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -16.352 22.824 6.459 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 0.730 24.498 -7.493 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 1.224 24.486 -8.339 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 0.093 23.761 -7.582 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -3.121 20.884 7.707 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -2.394 20.579 7.122 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -2.856 20.563 8.594 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -16.762 5.546 3.041 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -16.511 4.615 2.868 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -16.853 5.937 2.144 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -10.008 7.535 4.628 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -10.055 7.883 5.548 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -9.063 7.457 4.451 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -12.094 12.622 -4.950 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -12.912 12.488 -4.422 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -11.882 13.569 -4.824 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -15.572 11.773 1.478 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -16.398 11.566 1.012 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -14.940 12.003 0.756 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -10.318 14.312 9.059 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -9.962 13.739 8.368 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -10.925 14.922 8.576 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -10.830 13.211 -0.356 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -10.696 14.125 -0.078 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -9.946 12.922 -0.662 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -14.365 12.225 -3.506 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -14.285 11.315 -3.861 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -15.025 12.650 -4.096 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -23.214 15.587 5.120 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -23.568 16.345 4.616 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -23.405 14.815 4.554 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -20.250 12.032 -4.416 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -20.388 13.005 -4.419 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -20.042 11.822 -3.474 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -10.637 14.769 2.583 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -9.756 14.570 2.212 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -11.126 13.920 2.509 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -8.890 10.139 -2.242 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -9.583 9.640 -1.753 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -9.326 10.385 -3.086 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -19.277 14.393 -1.238 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -19.094 14.817 -0.373 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -18.827 14.970 -1.887 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -13.923 12.414 -0.694 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -12.997 12.704 -0.657 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -14.116 12.350 -1.651 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -6.146 25.490 6.666 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -6.002 25.866 5.762 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -5.518 24.743 6.716 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -14.604 22.448 6.593 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -14.357 22.559 5.650 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -14.070 21.680 6.891 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -14.340 9.507 3.547 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -14.171 9.050 4.386 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -13.463 9.544 3.117 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -19.444 11.758 -1.781 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -19.310 12.715 -1.593 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -18.890 11.305 -1.111 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -8.048 17.208 2.271 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -8.923 17.370 2.679 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -8.134 16.326 1.870 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -10.166 10.655 -4.586 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -10.878 11.330 -4.610 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -9.591 10.892 -5.327 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -10.499 17.309 3.554 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -11.343 17.765 3.377 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -10.674 16.372 3.299 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -19.457 14.579 7.527 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -19.287 14.884 6.605 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -20.436 14.671 7.630 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -11.965 15.985 7.711 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -12.353 16.747 7.214 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -12.640 15.269 7.600 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -6.847 12.819 -6.135 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -6.625 12.651 -5.194 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -6.057 13.285 -6.488 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -4.636 18.480 8.329 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -4.215 19.251 7.918 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -5.596 18.681 8.286 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -17.847 17.270 -8.092 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -18.059 18.188 -7.895 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -18.491 16.757 -7.571 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -8.472 17.261 5.557 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -9.142 17.272 4.839 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -8.975 17.515 6.356 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -8.382 24.005 7.272 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -7.622 24.618 7.159 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -9.021 24.286 6.576 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -13.941 14.177 7.438 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -14.900 14.296 7.593 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -13.862 13.249 7.138 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -11.696 12.249 2.177 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -11.493 12.282 1.223 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -11.558 11.318 2.421 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -8.256 7.670 -3.447 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -8.297 8.497 -2.925 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -7.387 7.696 -3.863 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -10.826 8.489 -1.258 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -10.881 7.723 -1.865 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -11.565 8.367 -0.656 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -13.947 11.554 6.781 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -14.114 11.438 7.749 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -13.422 10.765 6.537 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -11.849 8.429 -4.805 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -11.534 7.684 -4.254 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -11.180 9.130 -4.664 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -18.091 11.157 -5.827 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -18.447 11.058 -6.719 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -18.863 11.444 -5.291 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -8.140 14.504 1.205 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -7.233 14.852 1.066 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -8.188 13.733 0.610 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -21.355 10.943 -6.672 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -21.056 11.375 -5.840 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -21.644 10.068 -6.391 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -18.304 10.769 0.547 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -19.188 10.837 0.942 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -17.830 10.130 1.124 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -14.516 24.564 12.748 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -15.336 24.654 12.206 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -13.807 24.851 12.148 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -9.805 17.804 7.939 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -10.282 18.477 8.471 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -10.490 17.128 7.748 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -17.072 17.926 9.970 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -16.814 17.956 10.916 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -17.841 17.320 9.951 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -13.451 17.837 6.467 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -14.303 17.508 6.835 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -13.445 18.785 6.692 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -7.269 19.272 8.054 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -7.246 20.133 7.585 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -8.133 18.898 7.826 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -15.607 16.956 7.859 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -16.009 16.072 7.757 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -16.153 17.389 8.549 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -4.829 14.329 -7.235 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -4.046 14.599 -7.744 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -5.448 15.092 -7.326 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -16.684 14.412 7.936 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -17.604 14.466 7.609 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -16.779 14.040 8.841 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -11.426 5.163 8.190 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -10.880 4.372 8.225 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -11.614 5.283 7.231 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -14.068 11.374 9.519 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -13.442 11.986 9.963 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -14.794 11.261 10.169 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -11.652 9.217 11.576 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -12.617 9.258 11.579 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -11.441 8.661 10.804 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -16.233 6.927 9.049 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -15.567 7.425 9.577 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -15.987 6.002 9.168 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -12.760 9.246 5.973 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -11.961 8.894 6.421 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -13.513 8.849 6.477 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -2.738 24.757 4.027 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -3.109 23.852 3.939 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -2.068 24.809 3.334 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -4.683 16.790 -4.837 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -4.152 17.445 -5.354 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -5.609 17.081 -4.978 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -3.259 14.825 -0.809 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -3.286 13.869 -0.949 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -3.087 15.191 -1.701 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -3.916 22.317 4.350 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -4.063 22.525 5.292 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -4.696 21.764 4.104 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -3.097 12.409 -6.218 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -3.026 11.843 -7.007 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -3.811 13.040 -6.443 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -2.958 11.631 -8.974 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -2.570 10.816 -9.305 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -3.608 11.885 -9.667 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -5.917 15.384 -2.754 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -5.905 16.133 -2.131 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -5.434 15.715 -3.534 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -8.461 16.167 9.811 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -9.094 15.452 9.580 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -8.637 16.865 9.148 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -7.307 12.529 -10.018 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -7.796 12.783 -9.208 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -8.007 12.448 -10.703 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -6.161 12.786 -3.398 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -5.215 12.537 -3.349 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -6.168 13.736 -3.146 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -4.085 16.549 2.698 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -4.551 17.130 3.328 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -4.795 16.194 2.130 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -6.182 17.945 4.115 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -6.799 17.727 4.840 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -6.699 17.751 3.301 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -18.581 8.318 9.324 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -17.750 7.802 9.240 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -19.261 7.728 8.988 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -10.391 8.511 7.167 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -9.780 9.120 7.601 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -10.863 8.073 7.915 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -16.864 9.134 2.233 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -15.957 9.333 2.549 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -17.283 8.669 2.988 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -20.598 13.173 2.666 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -20.812 12.472 2.011 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -20.094 13.820 2.159 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -17.049 9.855 5.547 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -17.796 10.440 5.829 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -17.493 9.066 5.160 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -10.708 6.520 -3.177 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -10.670 5.568 -3.324 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -9.773 6.821 -3.295 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -16.613 9.681 -3.943 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -17.116 10.086 -4.677 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -16.957 10.112 -3.154 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -14.105 9.950 -5.050 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -14.940 9.597 -4.674 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -13.430 9.275 -4.817 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -14.475 8.673 10.253 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -14.231 9.360 9.603 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -15.079 9.140 10.872 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -11.948 7.643 9.235 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -12.872 7.705 9.542 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -11.829 6.686 9.017 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -4.449 23.136 6.984 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -3.773 23.847 7.064 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -3.995 22.333 7.347 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -17.607 15.384 15.776 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -17.724 16.073 15.091 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -18.493 15.277 16.156 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -10.075 22.575 18.286 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -11.042 22.719 18.351 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -9.874 21.971 19.030 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -15.287 10.708 20.578 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -15.873 10.359 21.283 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -15.645 11.585 20.387 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -19.177 12.389 18.405 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -18.908 11.961 19.241 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -18.374 12.344 17.843 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -14.470 8.696 18.791 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -14.957 9.400 19.260 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -14.502 8.959 17.868 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -9.741 17.718 17.867 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -10.284 16.966 18.149 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -10.266 18.503 18.138 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -18.437 11.120 20.869 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -17.909 10.507 21.417 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -19.319 10.677 20.798 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -16.995 15.800 23.932 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -16.117 15.740 23.536 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -17.190 14.885 24.219 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -3.273 18.814 17.729 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -2.776 19.613 17.535 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -2.861 18.467 18.553 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -9.425 6.341 17.959 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -8.906 6.122 18.773 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -10.109 5.665 17.928 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -7.714 17.898 15.948 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -7.871 18.695 15.406 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -8.455 17.901 16.596 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -6.885 16.260 18.515 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -7.716 16.747 18.402 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -6.353 16.508 17.733 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -7.530 17.102 24.647 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -8.330 17.174 25.205 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -7.453 17.986 24.232 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -10.019 12.165 16.225 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -10.715 12.728 16.637 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -10.421 11.863 15.389 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -12.423 13.299 10.708 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -12.953 14.125 10.695 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -11.596 13.541 10.247 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -6.573 14.577 25.401 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -7.334 13.973 25.268 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -6.898 15.449 25.078 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -14.697 19.401 25.275 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -13.939 19.088 25.808 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -15.477 18.955 25.676 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -7.360 15.168 15.361 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -7.377 16.119 15.598 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -7.943 15.107 14.591 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -17.032 13.674 27.487 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -16.501 14.491 27.352 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -17.579 13.875 28.283 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -11.511 19.616 19.017 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -10.933 20.087 19.656 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -12.394 19.997 19.171 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -14.254 17.706 28.588 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -14.797 16.992 28.189 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -14.816 18.077 29.274 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -19.387 18.602 23.874 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -19.151 18.048 23.100 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -18.997 19.476 23.669 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -14.601 18.048 22.870 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -15.131 18.550 22.231 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -14.530 18.650 23.642 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -13.132 22.625 15.963 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -12.640 23.439 15.721 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -13.400 22.245 15.105 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -7.769 22.243 12.204 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -7.168 22.005 11.493 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -8.013 23.168 12.014 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -9.328 22.560 15.614 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -9.135 23.510 15.655 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -9.604 22.333 16.526 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -18.498 21.152 23.237 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -17.529 20.960 23.234 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -18.604 21.843 23.925 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -13.054 9.133 21.129 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -13.268 8.678 20.287 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -13.659 9.900 21.139 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -8.098 16.640 12.460 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -7.163 16.593 12.687 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -8.117 16.487 11.488 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -7.938 13.376 17.637 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -7.669 14.082 17.021 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -8.723 12.976 17.209 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -17.333 13.058 24.792 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -17.390 13.287 25.746 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -16.960 12.163 24.787 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -16.028 10.690 11.336 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -15.997 11.437 11.972 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -16.956 10.688 11.014 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -22.103 7.469 21.173 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -21.839 6.599 20.856 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -22.873 7.298 21.726 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -19.647 12.682 15.357 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -20.029 12.524 16.232 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -18.687 12.630 15.508 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -11.806 13.779 17.607 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -11.619 14.440 18.297 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -12.765 13.689 17.618 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -14.812 15.128 15.620 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -15.737 15.377 15.819 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -14.684 15.418 14.694 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -16.109 13.033 12.772 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -15.788 12.673 13.623 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -15.798 13.966 12.778 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -15.173 15.611 12.794 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -15.652 16.455 12.688 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -14.504 15.626 12.074 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -17.015 17.968 25.868 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -17.893 18.192 26.244 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -17.225 17.431 25.077 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -17.165 12.763 16.558 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -16.343 12.420 16.144 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -17.174 13.713 16.321 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -4.334 15.678 22.818 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -4.505 16.143 21.965 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -4.922 16.114 23.446 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -10.630 10.649 13.725 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -10.953 10.161 12.931 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -9.825 10.183 13.974 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -9.797 17.863 26.105 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -10.774 17.817 26.183 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -9.614 18.817 25.995 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -5.740 12.813 15.729 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -6.142 13.645 15.413 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -4.777 12.976 15.682 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -10.010 18.522 13.157 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -9.553 19.276 13.589 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -9.298 17.859 13.026 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -18.183 14.674 29.753 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -19.007 14.702 30.282 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -17.596 15.284 30.202 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -15.632 15.954 27.026 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -14.987 15.860 26.293 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -16.246 16.656 26.712 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -9.072 20.525 26.234 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -9.752 21.164 26.477 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -8.484 20.486 27.023 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -2.499 12.379 12.341 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -3.442 12.245 12.126 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -2.186 12.998 11.645 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -4.014 15.842 29.583 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -4.887 15.825 29.134 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -3.369 15.722 28.848 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -8.360 20.427 14.233 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -8.015 20.947 13.473 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -8.663 21.114 14.868 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -16.350 18.067 12.608 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -15.795 18.250 13.392 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -17.218 17.806 12.991 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -14.102 20.758 19.487 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -14.410 19.825 19.509 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -14.939 21.281 19.519 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -11.100 16.941 11.261 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -10.346 16.338 11.201 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -10.879 17.524 12.026 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -8.299 22.349 22.508 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -8.823 23.164 22.351 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -7.424 22.674 22.750 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -16.794 9.625 22.611 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -16.682 9.901 23.544 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -16.563 8.686 22.614 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -4.932 17.003 16.620 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -4.338 17.715 16.964 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -5.551 17.472 16.038 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -14.088 21.954 13.473 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -14.137 22.845 13.058 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -14.963 21.850 13.909 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -8.382 10.261 17.319 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -7.549 10.759 17.447 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -8.993 10.916 16.911 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -12.674 20.157 11.965 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -12.010 19.826 12.587 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -13.161 20.843 12.476 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -14.817 12.409 15.160 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -14.619 13.328 15.434 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -14.068 12.172 14.562 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -7.706 7.808 16.320 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -8.295 7.164 16.763 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -8.061 8.679 16.591 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -17.505 13.406 10.373 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -17.934 12.536 10.226 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -17.029 13.295 11.224 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -8.384 25.328 19.579 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -7.721 24.638 19.517 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -8.862 25.129 20.404 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -18.869 23.005 25.284 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -19.483 22.350 25.695 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -18.285 23.266 26.003 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -10.163 23.952 9.340 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -9.627 24.285 10.090 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -9.508 23.816 8.620 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -7.695 20.396 28.597 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -6.834 20.748 28.850 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -8.242 20.488 29.415 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -6.951 21.728 6.780 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -6.077 22.150 6.900 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -7.591 22.439 7.001 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -15.136 20.051 9.808 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -14.693 19.809 10.638 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -15.906 19.445 9.762 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -7.955 10.697 29.313 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -7.603 11.613 29.388 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -8.886 10.774 29.612 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -11.565 19.102 9.640 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -11.966 19.694 10.314 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -11.417 18.263 10.125 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -7.801 17.674 27.995 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -7.720 18.620 28.216 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -8.577 17.632 27.400 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -12.820 12.255 13.340 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -12.659 12.642 12.457 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -12.014 11.727 13.520 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -13.984 14.402 22.931 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -14.535 14.322 22.119 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -13.122 14.001 22.677 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -13.545 15.844 10.601 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -12.707 16.305 10.826 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -13.729 16.117 9.688 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -7.057 13.257 29.590 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -6.192 13.216 30.058 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -6.965 14.034 28.995 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -6.209 14.716 9.101 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -6.964 15.195 9.494 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -6.370 14.776 8.130 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -13.899 16.232 24.888 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -14.163 16.894 24.218 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -13.808 15.398 24.372 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -6.975 11.453 33.379 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -7.675 11.484 34.072 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -6.602 12.365 33.377 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -6.323 15.418 28.082 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -6.850 16.254 28.088 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -6.310 15.151 27.142 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -15.096 11.700 27.522 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -15.784 12.389 27.644 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -15.375 11.228 26.723 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -10.395 9.372 21.781 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -9.939 9.241 20.915 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -11.349 9.350 21.552 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -16.293 10.144 25.377 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -15.534 9.528 25.524 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -16.995 9.786 25.935 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -10.503 7.167 27.335 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -11.411 6.970 27.059 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -10.610 7.703 28.141 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -13.050 9.104 28.342 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -13.113 10.066 28.464 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -13.535 8.936 27.514 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -12.396 23.406 10.913 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -11.684 23.343 10.242 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -13.215 23.172 10.416 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -3.852 14.797 17.829 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -3.457 14.150 17.199 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -4.118 15.556 17.261 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -4.999 16.813 20.445 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -4.271 17.310 20.036 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -5.660 16.718 19.729 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -7.930 19.834 23.830 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -8.328 20.103 24.681 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -8.081 20.597 23.247 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -3.876 16.137 9.503 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -4.105 17.007 9.100 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -4.707 15.623 9.444 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -4.604 12.803 10.369 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -3.742 13.191 10.140 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -5.250 13.352 9.884 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -20.837 15.525 20.878 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -21.126 14.796 21.441 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -21.592 16.165 20.901 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -4.679 13.495 30.910 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -3.900 12.894 30.912 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -4.340 14.323 30.508 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -2.522 11.769 30.847 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -1.903 11.415 30.190 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -2.538 11.092 31.551 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -5.740 11.026 17.735 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -5.354 10.214 17.343 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -5.767 11.666 16.980 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -20.787 9.823 20.733 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -21.179 8.954 20.976 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -21.433 10.213 20.137 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -18.116 13.556 22.146 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -18.335 12.709 21.706 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -18.040 13.323 23.092 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -9.589 25.031 17.098 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -9.146 25.566 17.785 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -9.761 24.177 17.543 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -20.188 15.047 31.613 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -20.997 15.561 31.693 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -20.145 14.540 32.431 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -9.807 24.603 21.922 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -10.113 25.445 22.281 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -10.637 24.109 21.723 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -20.774 23.240 23.193 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -21.212 24.012 22.778 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -20.182 23.627 23.865 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -16.538 21.846 19.133 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -16.709 22.568 18.496 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -16.881 22.194 19.986 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -12.005 23.096 21.242 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -12.248 23.218 20.300 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -12.870 22.967 21.694 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -10.070 21.186 20.698 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -9.318 21.284 21.315 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -10.764 21.766 21.076 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -9.189 8.778 19.435 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -9.390 7.922 19.010 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -8.989 9.376 18.682 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -5.533 4.797 21.894 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -5.232 5.716 22.070 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -6.210 4.636 22.576 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -4.891 7.438 22.016 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -3.976 7.579 21.704 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -5.445 7.917 21.358 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -6.383 8.650 20.068 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -7.351 8.621 19.946 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -6.058 9.107 19.283 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -3.802 7.570 18.548 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -4.252 6.731 18.810 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -4.295 7.864 17.756 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -10.713 23.716 13.187 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -11.361 23.379 12.534 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -10.391 22.918 13.641 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -14.298 8.325 25.915 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -13.770 8.349 25.080 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -14.104 7.435 26.287 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -8.876 14.165 33.894 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -7.929 14.391 33.814 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -9.140 13.928 32.986 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -2.538 6.771 38.967 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -3.508 6.741 38.785 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -2.476 7.166 39.843 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -6.888 8.613 30.760 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -7.177 9.332 30.153 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -6.230 9.047 31.345 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -6.154 14.013 33.158 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -5.567 14.618 33.670 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -5.662 13.863 32.320 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -11.014 8.326 29.889 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -10.751 9.229 30.182 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -11.866 8.473 29.414 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -8.886 12.759 31.525 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -8.292 13.117 30.827 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -8.298 12.218 32.083 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -12.772 12.031 28.928 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -12.507 12.935 28.728 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -13.658 11.941 28.507 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -9.060 11.739 35.077 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -9.125 12.672 34.761 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -9.723 11.678 35.770 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 0.302 10.673 31.891 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 0.220 11.578 32.218 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 0.070 10.740 30.935 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -8.867 6.809 30.496 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -9.644 7.364 30.257 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -8.121 7.448 30.531 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -7.319 8.410 34.002 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -6.505 8.701 33.541 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -7.843 9.221 34.088 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -6.333 6.784 36.075 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -6.746 7.426 35.460 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -6.671 5.913 35.772 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -9.052 20.751 30.929 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -9.095 20.069 31.611 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -9.667 21.429 31.230 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -12.557 18.017 26.469 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -12.915 17.256 25.963 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -12.966 17.928 27.358 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -3.718 17.260 31.926 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -3.844 16.717 31.117 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -3.419 18.109 31.595 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -5.141 9.552 32.660 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -5.612 10.376 32.926 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -4.193 9.781 32.738 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -1.497 7.958 34.748 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -1.246 7.966 35.693 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -0.636 7.909 34.272 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -2.850 3.972 38.578 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -2.473 4.846 38.796 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -2.175 3.330 38.907 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -1.965 5.278 34.468 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -2.667 5.081 35.130 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -1.806 6.238 34.569 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -5.237 6.538 38.606 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -5.675 6.844 37.781 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -5.932 6.063 39.077 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -10.521 11.002 30.214 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -11.354 11.366 29.842 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -10.190 11.712 30.808 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -19.707 42.437 -26.388 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -19.737 43.351 -26.715 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -18.880 42.079 -26.765 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -12.300 29.201 -12.388 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -12.201 30.100 -12.063 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -13.096 29.235 -12.955 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -15.339 36.904 -17.450 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -16.175 36.637 -17.894 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -14.764 36.124 -17.533 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -21.712 33.052 -19.183 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -21.625 33.505 -20.044 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -21.412 32.155 -19.356 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -18.740 35.061 -20.989 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -18.237 34.337 -21.382 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -19.676 34.773 -21.064 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -10.818 34.714 -16.170 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -11.118 34.134 -15.431 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -9.859 34.514 -16.253 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -2.651 30.728 -10.857 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -2.537 30.842 -9.891 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -1.762 30.460 -11.168 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -9.277 31.345 -11.378 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -8.587 31.027 -10.749 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -8.952 31.051 -12.253 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -16.765 28.963 -18.476 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -17.405 29.051 -17.744 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -15.912 29.123 -18.065 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -3.878 30.350 -17.393 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -3.838 29.547 -16.842 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -4.814 30.413 -17.655 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -17.934 33.013 -14.502 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -17.344 32.812 -13.742 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -17.321 33.300 -15.203 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -14.073 31.662 -13.998 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -14.226 30.706 -14.154 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -14.825 31.935 -13.434 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -1.899 31.203 -8.182 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -1.310 31.012 -7.416 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -2.029 32.155 -8.146 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -15.982 30.117 -11.309 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -16.024 29.647 -10.450 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -16.497 29.537 -11.921 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -11.661 33.020 -14.202 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -12.482 32.485 -14.150 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -11.196 32.822 -13.381 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -3.917 28.587 -15.175 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -3.991 27.810 -14.583 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -3.174 29.106 -14.797 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -16.233 32.519 -12.410 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -16.489 33.109 -11.671 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -16.237 31.614 -12.009 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -19.462 37.612 -21.825 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -19.037 36.828 -21.423 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -20.118 37.234 -22.452 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -6.040 35.957 -16.742 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -5.906 36.234 -17.653 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -5.241 36.277 -16.275 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -6.034 28.873 -12.709 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -5.436 28.110 -12.875 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -5.432 29.645 -12.667 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -4.175 34.521 -10.939 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -3.894 35.433 -10.714 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -3.876 34.397 -11.859 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -15.302 33.674 -15.620 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -14.681 34.036 -16.284 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -14.797 32.957 -15.188 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -13.361 34.837 -17.371 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -13.100 34.776 -18.300 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -12.513 34.756 -16.880 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -16.172 35.800 -14.089 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -15.898 35.018 -14.620 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -17.077 35.995 -14.401 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -10.645 39.106 -14.733 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -9.689 39.085 -14.499 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -10.721 38.495 -15.499 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -19.037 36.704 -14.796 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -19.767 36.490 -15.413 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -19.102 37.675 -14.680 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -15.597 40.845 -19.031 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -14.721 40.669 -18.620 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -16.024 39.981 -19.048 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -16.298 23.125 -14.354 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -16.353 23.302 -13.390 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -16.410 22.152 -14.426 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -16.503 34.047 -10.120 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -15.678 33.607 -9.847 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -16.201 34.870 -10.557 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -6.636 30.827 -17.434 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -7.183 31.387 -17.999 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -6.444 31.389 -16.649 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -16.556 27.022 -15.175 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -17.247 26.333 -15.043 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -15.739 26.504 -15.354 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -16.398 28.357 -21.137 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -16.343 27.409 -21.033 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -16.616 28.685 -20.242 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -6.239 44.151 -7.261 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -6.205 44.867 -6.623 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -5.303 44.035 -7.545 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -14.444 28.852 -14.094 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -14.274 28.005 -13.644 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -15.269 28.697 -14.580 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -15.069 26.053 -12.690 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -14.774 25.649 -13.528 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -15.734 25.426 -12.343 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -8.010 34.037 -16.089 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -7.417 34.793 -16.282 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -7.444 33.408 -15.613 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -17.689 36.041 -18.611 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -18.031 35.680 -19.455 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -18.472 36.125 -18.055 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -8.202 30.197 -13.631 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -8.123 30.487 -14.549 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -7.351 29.732 -13.451 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -15.109 40.502 -14.231 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -15.077 39.586 -14.580 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -14.228 40.872 -14.460 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -11.663 37.364 -16.613 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -12.593 37.167 -16.440 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -11.216 36.495 -16.533 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -3.977 41.002 -8.825 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -4.205 40.031 -8.822 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -3.145 41.051 -9.346 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -19.884 42.286 -15.162 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -18.970 42.323 -14.810 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -20.288 43.111 -14.859 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -9.368 22.864 -13.743 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -8.468 22.511 -13.557 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -9.835 22.783 -12.885 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -5.873 32.108 -15.162 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -4.998 32.462 -15.403 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -5.721 31.675 -14.298 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -3.611 37.065 -15.763 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -3.570 37.087 -14.773 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -3.331 37.949 -16.027 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -18.355 28.868 -16.198 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -17.667 28.329 -15.751 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -19.112 28.274 -16.266 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -21.217 38.210 -19.709 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -21.449 39.158 -19.602 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -20.500 38.214 -20.372 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -13.982 32.850 -10.219 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -13.011 32.684 -10.293 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -14.371 32.282 -10.901 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -15.346 36.129 -11.439 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -15.633 36.017 -12.376 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -14.377 36.253 -11.499 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -11.273 32.681 -10.146 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -10.601 32.168 -10.657 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -10.788 32.998 -9.377 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -18.889 39.504 -23.743 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -19.067 38.896 -22.994 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -17.934 39.470 -23.852 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -14.671 37.898 -15.031 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -14.869 37.766 -15.989 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -15.151 37.164 -14.589 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -0.207 39.524 -12.707 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -0.495 38.762 -12.167 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -1.039 39.981 -12.936 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -3.257 37.284 -13.109 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -3.869 37.836 -12.578 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -2.456 37.221 -12.556 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -3.447 33.829 -13.530 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -3.201 33.239 -14.274 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -2.927 34.635 -13.689 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -4.742 39.110 -11.596 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -4.437 38.571 -10.822 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -5.424 39.691 -11.219 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -1.685 29.970 -14.187 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -0.870 29.538 -14.486 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -1.536 30.117 -13.235 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -4.485 31.271 -12.833 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -3.896 30.985 -12.095 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -4.275 32.218 -12.944 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -19.765 31.184 -15.453 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -19.215 30.430 -15.748 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -19.113 31.864 -15.184 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -22.423 31.403 -14.845 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -21.479 31.301 -15.106 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -22.737 32.145 -15.380 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -15.555 39.854 -11.547 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -15.513 40.004 -12.511 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -15.229 40.697 -11.162 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -12.696 36.949 -10.838 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -12.682 37.408 -11.713 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -12.102 37.496 -10.276 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -6.290 41.282 -10.327 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -6.935 41.599 -9.662 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -5.439 41.263 -9.839 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -5.997 24.322 -13.716 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -6.439 23.455 -13.596 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -6.555 24.786 -14.382 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -21.798 40.934 -19.656 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -21.590 41.454 -18.846 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -21.301 41.393 -20.364 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -18.680 42.227 -9.354 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -18.650 42.984 -8.753 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -18.139 42.504 -10.118 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -12.728 38.387 -13.133 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -13.413 38.237 -13.820 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -11.918 38.603 -13.648 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -8.088 39.275 -13.710 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -7.578 40.111 -13.579 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -7.409 38.589 -13.746 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -6.753 41.532 -13.023 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -6.585 41.514 -12.054 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -6.070 42.114 -13.370 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -19.260 39.527 -14.468 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -19.824 40.273 -14.751 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -18.364 39.882 -14.513 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -13.322 39.985 -17.586 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -13.120 40.404 -16.727 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -12.710 39.236 -17.633 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -9.884 25.020 -15.288 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -9.705 24.249 -14.701 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -9.087 25.579 -15.191 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -7.300 25.915 -15.507 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -7.059 26.862 -15.639 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -7.401 25.566 -16.413 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -14.554 25.040 -15.201 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -13.674 24.615 -15.308 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -15.168 24.283 -15.071 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -6.587 28.511 -15.935 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -6.684 29.245 -16.575 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -5.654 28.574 -15.639 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -20.293 42.418 -21.404 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -19.852 42.520 -22.282 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -19.581 42.570 -20.765 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -18.024 44.766 -27.057 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -18.777 45.219 -27.504 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -17.921 45.259 -26.211 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -9.778 39.823 -0.764 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -9.396 39.540 0.089 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -10.547 39.239 -0.888 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -3.591 28.020 3.987 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -4.234 27.402 4.375 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -4.140 28.648 3.480 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -9.574 38.169 5.810 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -10.013 37.763 5.038 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -8.695 37.737 5.836 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -4.109 35.088 2.391 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -4.101 35.841 1.764 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -3.187 35.033 2.704 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -5.056 30.015 2.733 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -5.517 30.011 3.600 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -5.570 30.662 2.193 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -8.389 36.525 2.975 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -8.210 37.326 2.439 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -9.353 36.566 3.142 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -13.370 33.573 6.023 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -12.969 34.468 5.996 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -14.212 33.675 5.507 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -18.979 40.447 7.866 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -18.532 41.187 8.293 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -19.836 40.369 8.353 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -20.619 34.783 5.822 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -21.235 34.717 5.062 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -20.278 33.869 5.941 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -17.478 38.434 4.167 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -18.100 37.835 4.647 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -16.595 38.083 4.383 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -11.033 37.023 3.696 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -11.547 36.549 4.386 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -11.670 37.659 3.321 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -12.607 39.757 -5.091 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -12.279 39.229 -4.352 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -13.332 40.292 -4.700 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -18.116 39.557 -2.306 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -17.947 38.761 -2.817 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -17.545 39.462 -1.515 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -6.169 29.775 5.194 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -6.343 30.721 5.394 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -6.533 29.292 5.968 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -15.232 36.915 5.010 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -15.529 36.937 5.950 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -15.424 35.984 4.724 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -8.681 30.910 8.525 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -9.419 30.265 8.542 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -7.892 30.367 8.639 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -16.043 36.640 7.633 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -16.124 35.714 7.901 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -16.921 37.027 7.839 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -6.520 32.017 1.565 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -6.604 32.317 0.654 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -6.572 32.840 2.095 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -8.362 34.355 7.224 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -8.044 35.071 6.629 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -8.380 34.773 8.108 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -15.524 32.697 7.640 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -14.673 32.991 7.279 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -16.112 32.643 6.847 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -10.433 37.145 8.282 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -11.378 37.398 8.294 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -10.086 37.560 7.466 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -4.724 36.520 5.292 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -5.124 36.910 4.480 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -3.801 36.855 5.278 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -4.404 40.558 -5.762 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -4.500 40.620 -6.726 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -3.616 39.997 -5.635 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -13.452 38.668 3.784 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -14.138 38.138 4.241 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -12.941 39.084 4.511 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -13.835 38.800 -7.372 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -14.278 39.638 -7.638 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -13.393 39.025 -6.527 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -7.491 36.353 5.581 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -7.660 36.377 4.613 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -6.516 36.439 5.654 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -18.633 37.713 8.144 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -19.330 37.525 8.803 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -18.640 38.692 8.060 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -11.618 32.328 7.655 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -12.290 32.690 7.035 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -11.565 33.004 8.367 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -6.616 34.316 3.077 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -5.692 34.617 2.882 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -7.161 35.120 2.948 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -19.441 32.418 6.535 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -19.361 31.944 7.392 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -18.506 32.553 6.245 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -11.566 34.240 9.596 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -10.652 34.009 9.866 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -11.559 35.204 9.536 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -11.455 31.828 11.263 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -10.549 32.145 11.060 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -12.014 32.605 11.113 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -6.423 32.531 5.178 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -6.438 33.097 4.373 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -5.713 32.927 5.731 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -18.062 30.264 4.506 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -18.790 29.820 4.995 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -17.813 31.023 5.071 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -11.481 26.329 8.758 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -11.069 25.443 8.763 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -12.420 26.157 8.496 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -9.366 29.436 5.955 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -9.970 29.231 6.704 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -8.581 28.878 6.128 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -8.747 27.582 12.194 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -8.296 27.851 13.003 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -9.539 28.176 12.152 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -16.785 25.348 7.931 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -17.120 26.032 7.307 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -17.075 24.503 7.530 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -14.140 26.052 8.389 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -14.375 26.988 8.572 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -14.997 25.631 8.181 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -12.355 40.251 -11.058 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -11.407 40.406 -11.284 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -12.703 39.751 -11.823 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -16.960 41.500 1.255 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -16.157 41.344 1.800 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -16.901 40.817 0.556 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -5.661 37.845 3.117 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -5.868 38.741 2.799 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -5.111 37.465 2.404 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 1.128 36.201 3.194 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 1.267 36.823 3.916 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 2.028 36.070 2.815 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -1.414 35.260 3.169 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -1.303 34.296 3.320 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -0.491 35.604 3.146 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -4.414 34.033 6.428 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -4.251 34.335 7.328 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -4.519 34.865 5.912 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -2.188 32.397 6.031 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -2.917 33.035 6.152 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -2.604 31.523 6.215 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -21.103 31.360 4.653 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -20.896 30.416 4.835 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -20.512 31.849 5.265 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -3.821 27.599 7.421 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -4.681 27.306 7.738 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -3.357 26.772 7.185 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -7.234 28.053 7.053 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -7.488 27.945 8.000 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -6.900 27.170 6.798 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -6.880 41.947 -1.218 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -6.264 41.607 -1.899 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -7.757 41.771 -1.583 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -21.080 39.984 9.468 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -21.128 39.009 9.597 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -21.849 40.320 9.934 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -12.649 36.168 5.732 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -13.517 36.420 5.354 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -12.614 36.652 6.587 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -11.217 41.831 3.379 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -10.262 41.794 3.146 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -11.666 41.981 2.519 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -14.598 42.932 4.022 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -13.876 43.060 4.677 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -14.798 43.822 3.713 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -8.519 41.559 2.997 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -7.960 41.408 3.767 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -7.932 42.027 2.362 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -8.569 39.068 1.657 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -8.811 39.848 2.190 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -7.618 39.209 1.452 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -14.574 40.765 2.409 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -14.212 39.978 2.873 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -14.584 41.470 3.101 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -11.358 38.488 -9.085 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -10.550 38.948 -8.763 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -11.870 39.199 -9.528 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -4.893 41.217 -3.126 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -4.335 42.002 -3.146 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -4.884 40.894 -4.058 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -12.221 26.085 11.425 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -12.112 25.119 11.336 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -11.990 26.431 10.540 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -15.284 40.811 -8.365 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -15.530 41.378 -7.594 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -15.036 41.453 -9.064 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -8.821 24.861 11.616 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -8.772 25.826 11.798 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -9.516 24.538 12.237 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -19.930 31.725 12.951 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -20.631 32.206 13.404 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -19.386 31.365 13.667 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -21.241 33.008 16.292 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -20.733 33.789 16.521 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -21.698 33.253 15.461 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -16.324 27.289 15.874 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -15.432 26.930 15.670 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -16.544 27.832 15.088 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -17.905 30.880 14.984 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -17.220 31.552 14.926 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -17.555 30.130 14.443 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -15.092 27.800 21.933 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -15.019 28.752 21.827 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -15.981 27.583 21.563 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -14.957 24.867 18.803 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -14.159 24.307 18.801 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -14.760 25.560 19.442 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -10.620 28.867 8.281 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -10.750 27.906 8.463 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -11.405 29.291 8.685 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -14.292 25.519 23.193 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -14.275 25.844 24.097 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -14.544 26.308 22.658 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -9.195 33.035 10.227 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -8.591 33.785 10.085 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -8.871 32.342 9.611 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -10.773 29.359 12.284 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -10.991 30.286 12.056 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -11.630 28.978 12.573 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -14.669 22.794 9.413 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -14.972 21.868 9.523 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -14.689 22.940 8.444 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -16.958 28.750 13.665 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -17.661 28.143 13.339 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -16.377 28.888 12.883 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -17.794 27.111 6.036 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -18.298 27.062 5.195 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -18.151 27.891 6.472 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -15.220 29.238 11.635 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -14.425 28.949 12.139 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -15.108 28.826 10.757 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -19.182 31.019 8.945 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -18.216 30.847 9.029 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -19.464 31.224 9.848 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -17.395 23.051 21.418 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -18.026 23.794 21.309 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -17.880 22.404 21.964 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -13.352 40.364 7.523 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -13.586 41.296 7.569 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -12.759 40.304 6.742 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -11.728 24.940 15.422 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -11.302 24.763 14.556 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -10.976 25.156 16.020 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -14.801 28.639 8.942 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -15.576 29.213 8.779 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -14.046 29.265 8.994 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -21.409 29.979 7.706 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -20.612 30.222 8.224 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -21.043 29.538 6.902 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -16.964 23.847 17.318 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -16.295 24.387 17.811 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -16.620 23.818 16.411 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -16.500 30.771 9.308 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -16.072 31.507 8.809 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -16.081 30.798 10.184 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -13.145 37.685 7.972 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -14.060 37.401 8.142 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -13.205 38.670 7.923 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -12.705 30.375 9.248 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -12.377 31.053 8.615 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -12.386 30.690 10.119 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -8.545 35.728 9.596 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -8.122 36.343 10.206 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -9.258 36.266 9.168 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -14.643 23.045 22.130 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -15.556 23.099 21.777 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -14.497 23.926 22.547 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -15.826 20.803 23.241 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -15.238 21.519 22.920 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -15.370 20.455 24.037 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -7.771 27.342 9.615 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -7.614 26.408 9.789 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -8.190 27.668 10.438 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -17.855 27.128 18.081 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -18.581 26.568 17.753 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -17.195 27.124 17.344 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -24.718 29.116 19.416 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -25.324 28.924 18.669 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -24.518 30.053 19.323 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -19.294 25.010 20.795 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -20.244 25.065 21.043 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -19.305 24.973 19.826 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -14.021 26.273 14.867 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -14.298 25.627 14.182 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -13.194 25.891 15.234 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -12.827 22.971 18.617 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -13.264 22.159 18.963 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -12.969 22.918 17.639 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -16.319 24.634 10.691 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -16.701 25.140 9.952 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -15.748 23.972 10.252 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -13.110 28.098 12.954 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -12.777 27.355 12.396 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -13.447 27.656 13.760 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -20.383 20.997 26.302 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -21.055 20.998 27.023 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -19.915 20.146 26.418 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -20.294 47.677 -24.441 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -20.415 48.469 -23.871 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -20.404 48.022 -25.357 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -19.522 53.003 -22.029 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -20.227 52.463 -21.603 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -19.132 52.408 -22.682 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -18.477 52.723 -17.546 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -17.981 53.251 -18.199 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -19.415 52.853 -17.805 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -20.617 45.665 -18.150 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -19.820 45.345 -17.672 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -20.610 46.630 -18.003 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -17.765 45.546 -14.270 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -17.181 45.971 -13.615 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -18.559 46.120 -14.290 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -18.423 52.013 -12.636 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -18.510 52.574 -13.443 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -19.143 52.323 -12.054 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -20.967 42.760 -17.771 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -20.507 42.566 -16.929 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -20.864 43.723 -17.883 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -9.751 40.462 -11.758 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -9.032 41.021 -11.440 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -9.344 39.937 -12.474 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -17.422 49.590 -12.105 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -17.570 50.547 -12.290 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -17.807 49.458 -11.214 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -16.557 43.015 -17.529 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -16.319 42.123 -17.846 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -16.240 43.601 -18.224 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -18.206 54.238 -19.957 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -17.747 55.002 -20.318 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -18.586 53.790 -20.745 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -18.005 50.137 -16.815 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -18.183 51.070 -17.083 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -17.046 50.056 -16.867 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -19.000 53.446 -14.872 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -19.751 54.077 -14.930 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -18.761 53.275 -15.799 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -18.088 45.996 -24.615 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -17.982 45.802 -23.664 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -18.813 46.653 -24.643 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -17.241 42.253 -14.218 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -16.484 41.625 -14.207 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -16.950 42.966 -14.809 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -20.336 52.791 -10.714 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -20.569 52.049 -10.116 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -19.835 53.395 -10.156 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -16.605 46.977 -12.186 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -17.004 46.600 -11.366 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -16.984 47.888 -12.242 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -14.071 48.091 -12.021 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -14.194 48.997 -11.723 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -14.979 47.759 -12.166 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -12.520 45.902 -12.449 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -12.994 46.747 -12.263 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -11.630 46.178 -12.686 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -14.824 44.587 -11.860 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -15.377 45.379 -11.972 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -13.917 44.897 -12.084 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -18.859 49.027 -9.831 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -19.395 48.513 -10.472 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -19.475 49.712 -9.500 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -12.513 41.070 -15.054 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -11.811 40.401 -14.872 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -12.066 41.917 -14.939 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -14.408 42.171 -10.572 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -13.504 41.827 -10.715 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -14.391 43.071 -10.963 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -3.691 43.619 -8.055 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -3.844 42.669 -8.249 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -2.810 43.789 -8.399 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -18.582 44.650 -16.717 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -17.900 44.004 -17.002 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -18.247 44.986 -15.857 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -19.318 49.789 -14.469 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -18.820 50.026 -15.283 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -18.724 50.052 -13.741 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -16.536 42.759 -24.665 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -16.565 42.392 -25.575 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -16.406 43.707 -24.798 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -2.715 40.664 -12.676 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -2.407 40.976 -11.802 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -3.497 40.115 -12.469 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -16.661 42.628 -21.136 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -16.296 42.047 -20.441 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -16.252 42.310 -21.951 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -18.258 44.859 -22.082 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -18.606 44.201 -22.718 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -17.606 44.359 -21.558 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -19.071 42.878 -23.748 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -18.134 42.685 -23.979 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -19.554 42.733 -24.587 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -17.232 43.243 -11.513 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -17.453 42.868 -12.389 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -16.280 43.461 -11.583 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -7.856 42.178 -8.169 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -8.588 42.297 -7.546 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -7.195 42.859 -7.891 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -18.341 47.510 -5.124 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -17.636 47.391 -4.447 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -17.889 47.336 -5.976 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -12.714 42.125 0.960 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -13.337 41.502 1.392 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -13.266 42.918 0.772 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -9.221 39.795 -8.098 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -9.615 40.217 -7.296 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -8.551 40.440 -8.396 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -14.805 43.851 0.479 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -15.098 44.626 -0.013 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -15.609 43.325 0.596 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -15.751 42.168 -6.043 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -15.241 41.935 -5.242 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -16.538 42.629 -5.699 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -19.490 45.383 -3.754 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -19.239 46.187 -4.257 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -18.843 45.347 -3.024 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -17.120 42.026 -2.851 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -17.522 42.374 -3.680 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -17.607 41.190 -2.681 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -20.061 49.209 -6.555 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -19.449 48.640 -6.034 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -20.767 48.596 -6.846 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -16.624 46.801 -3.074 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -16.871 45.972 -2.610 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -15.941 47.201 -2.497 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -20.808 50.724 -8.793 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -20.462 50.373 -7.945 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -21.781 50.640 -8.704 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -10.189 41.211 -3.095 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -9.892 40.701 -2.312 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -11.071 41.537 -2.841 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -17.815 47.167 -7.827 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -18.155 47.965 -8.272 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -17.469 46.619 -8.558 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -20.221 47.561 -11.720 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -20.188 46.730 -11.201 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -20.053 47.276 -12.646 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -17.510 44.559 -1.820 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -17.990 44.368 -0.982 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -17.256 43.671 -2.154 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -12.354 43.185 5.538 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -11.655 43.580 6.066 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -11.878 42.721 4.816 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -11.663 39.996 5.412 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -10.824 39.533 5.615 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -11.432 40.607 4.677 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -18.806 43.498 0.296 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -18.347 42.734 0.694 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -19.533 43.100 -0.224 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -12.635 41.255 -1.709 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -12.585 41.633 -0.806 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -12.409 40.315 -1.586 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -6.028 39.977 1.390 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -6.093 40.951 1.444 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -5.693 39.811 0.475 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -14.547 41.271 -3.673 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -13.885 41.388 -2.956 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -15.398 41.521 -3.254 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -14.714 47.809 -1.378 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -13.781 47.711 -1.591 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -14.765 48.644 -0.903 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -6.578 42.691 1.359 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -6.722 42.502 0.396 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -6.135 43.548 1.367 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -10.232 40.946 -5.849 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -9.944 41.188 -4.943 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -11.140 40.597 -5.720 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -17.664 45.569 -10.085 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -17.448 44.697 -10.481 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -18.632 45.522 -9.924 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 6.146 -22.013 26.804 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 6.281 -22.702 26.138 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 6.670 -21.259 26.475 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 7.429 -22.251 23.712 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 7.044 -22.800 23.020 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 7.426 -21.345 23.329 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 3.494 -17.535 26.191 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 3.216 -16.827 25.566 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 2.710 -17.694 26.736 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 7.586 -19.636 22.903 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 8.368 -19.384 22.360 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 6.957 -18.898 22.773 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 3.717 -20.986 27.947 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 4.502 -21.354 27.496 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 3.011 -21.035 27.280 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 1.106 -20.577 26.837 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 0.853 -21.238 27.528 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 1.109 -19.725 27.314 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 0.444 -17.958 22.652 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 0.412 -18.596 23.394 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -0.005 -18.412 21.934 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -0.115 -20.021 24.484 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 0.475 -20.234 25.250 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -0.637 -20.823 24.361 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 8.856 -24.460 28.832 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 8.084 -24.846 28.392 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 9.014 -25.048 29.605 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 7.718 -19.870 25.753 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 7.877 -20.023 24.801 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 7.005 -19.192 25.764 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -1.842 -23.975 29.657 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -1.310 -23.679 28.907 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -2.389 -24.704 29.292 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 5.742 -23.601 29.098 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 6.069 -22.918 28.476 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 5.238 -24.218 28.526 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 8.271 -17.099 26.644 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 7.463 -17.161 26.085 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 8.604 -18.008 26.673 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 4.600 -13.403 23.599 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 4.702 -13.242 22.640 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 5.421 -13.040 23.991 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 9.851 -19.040 21.489 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 10.195 -18.379 20.878 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 10.554 -19.696 21.549 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 7.661 -14.338 26.495 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 7.945 -15.272 26.562 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 6.933 -14.262 27.151 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 3.573 -15.464 21.094 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 3.858 -15.962 20.297 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 4.056 -14.614 21.029 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 9.039 -23.716 25.336 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 9.440 -23.031 25.907 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 8.495 -23.204 24.696 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 8.668 -16.166 29.211 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 8.560 -16.521 28.305 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 9.394 -16.703 29.595 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 2.685 -19.329 29.864 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 3.135 -19.977 29.268 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 2.022 -18.906 29.292 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 9.863 -21.405 26.679 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 9.010 -20.949 26.518 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 10.498 -20.687 26.771 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 0.594 -22.320 28.874 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 1.245 -23.056 28.891 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 0.282 -22.256 29.798 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 2.355 -24.397 29.139 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 2.977 -24.718 28.452 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 2.103 -25.206 29.631 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 7.877 -27.638 25.278 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 7.840 -28.434 24.741 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 8.715 -27.199 25.001 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 10.028 -26.176 24.538 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 9.722 -25.283 24.808 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 10.977 -26.077 24.433 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 9.556 -25.589 31.233 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 9.736 -26.125 32.038 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 10.167 -24.820 31.319 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 11.251 -23.195 28.287 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 10.537 -23.829 28.505 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 10.817 -22.547 27.702 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 4.440 -25.474 27.604 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 5.214 -25.498 26.999 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 4.460 -26.343 28.054 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 6.941 -25.297 26.348 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 7.694 -24.750 26.052 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 7.152 -26.197 26.007 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 10.630 -17.633 30.425 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 11.556 -17.893 30.293 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 10.594 -17.360 31.366 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 2.995 -15.522 24.425 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 2.313 -15.470 23.732 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 3.652 -14.841 24.163 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 7.627 -13.976 30.329 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 7.968 -14.796 29.885 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 8.443 -13.512 30.624 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 9.273 -12.123 26.312 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 10.179 -12.429 26.213 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 8.752 -12.947 26.440 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 5.827 -17.343 22.475 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 6.258 -16.705 21.895 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 4.879 -17.173 22.350 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 6.056 -17.756 25.210 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 5.929 -17.546 24.261 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 5.141 -17.755 25.581 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -0.046 -12.934 21.689 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -0.575 -12.683 22.481 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 0.297 -13.832 21.904 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 1.124 -15.356 22.341 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 0.864 -16.308 22.361 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 1.948 -15.346 21.793 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 4.571 -16.870 18.961 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 4.491 -17.829 18.902 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 4.850 -16.600 18.079 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 6.973 -21.942 34.816 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 6.672 -22.035 33.894 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 7.726 -21.312 34.759 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 0.486 -17.019 37.682 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 0.251 -17.093 36.740 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 1.241 -16.405 37.695 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 1.961 -26.807 30.446 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 1.258 -27.403 30.164 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 2.781 -27.205 30.072 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 1.437 -20.280 35.718 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 1.838 -21.177 35.785 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 1.628 -19.872 36.592 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 8.756 -17.216 42.401 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 8.298 -16.454 42.770 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 9.514 -17.342 42.981 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 4.884 -20.849 36.265 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 5.642 -21.317 35.853 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 4.191 -21.532 36.334 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 9.000 -20.205 34.323 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 9.040 -19.992 33.358 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 8.801 -19.338 34.754 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 10.960 -22.029 34.077 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 11.656 -21.537 33.585 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 10.296 -21.339 34.298 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 6.584 -22.076 31.987 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 6.759 -23.022 32.180 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 7.263 -21.843 31.321 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 8.833 -22.118 30.340 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 9.599 -22.511 30.814 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 8.661 -22.747 29.610 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 9.068 -23.897 34.788 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 9.849 -23.317 34.630 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 8.415 -23.307 35.207 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 4.450 -18.538 37.662 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 3.547 -18.806 37.927 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 4.771 -19.299 37.124 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 8.096 -18.303 39.947 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 8.254 -19.241 40.088 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 8.299 -17.893 40.816 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 10.931 -23.304 31.634 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 11.775 -23.023 31.226 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 10.965 -22.924 32.538 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 8.419 -17.775 35.256 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 7.908 -17.658 36.088 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 8.453 -16.878 34.869 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 1.850 -19.274 38.208 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 1.262 -18.484 38.167 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 1.531 -19.768 38.972 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 8.668 -15.511 33.678 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 7.766 -15.440 33.295 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 8.945 -14.582 33.803 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 13.098 -17.962 31.855 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 12.410 -17.599 32.455 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 13.901 -17.492 32.103 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 8.636 -15.252 37.799 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 7.937 -15.936 37.715 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 9.360 -15.710 38.241 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 13.073 -22.378 30.125 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 13.914 -22.765 29.860 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 12.446 -22.652 29.410 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 2.762 -22.665 35.797 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 2.309 -23.531 35.794 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 3.245 -22.649 34.939 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 9.839 -26.374 33.821 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 9.567 -25.559 34.295 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 10.255 -26.914 34.497 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 6.260 -29.528 29.627 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 7.204 -29.333 29.607 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 6.214 -30.488 29.569 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 3.147 -25.656 32.675 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 4.009 -25.630 32.210 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 2.534 -26.029 32.009 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 4.079 -22.902 33.458 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 4.463 -23.770 33.642 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 3.841 -22.945 32.504 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 5.432 -25.483 31.137 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 5.556 -24.799 30.446 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 6.166 -25.315 31.771 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 3.564 -15.337 35.544 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 2.586 -15.279 35.452 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 3.782 -16.238 35.204 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 1.538 -20.770 33.058 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 0.999 -21.569 32.912 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 1.419 -20.570 34.014 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 9.235 -19.750 31.659 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 9.092 -20.531 31.085 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 9.682 -19.107 31.081 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 12.456 -20.672 32.229 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 12.732 -21.154 31.423 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 12.748 -19.755 32.070 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 7.450 -24.577 32.661 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 7.908 -24.418 33.514 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 8.142 -24.983 32.094 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 4.445 -27.491 29.523 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 4.852 -26.864 30.160 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 5.052 -28.267 29.529 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 10.781 -17.175 33.159 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 10.116 -16.468 33.322 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 10.522 -17.884 33.767 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 3.769 -22.684 30.787 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 3.077 -23.130 30.255 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 4.586 -22.809 30.259 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 2.571 -13.131 34.087 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 1.846 -13.777 34.215 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 3.335 -13.546 34.521 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 0.113 -17.790 34.985 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 0.633 -18.588 35.213 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -0.581 -18.121 34.402 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 1.680 -14.078 41.101 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 2.090 -14.047 41.976 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 1.838 -14.983 40.795 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 3.172 -15.994 38.153 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 3.449 -15.716 37.256 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 3.668 -16.822 38.305 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 6.996 -17.431 37.603 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 7.373 -17.790 38.441 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 6.066 -17.742 37.610 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 6.248 -14.926 32.485 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 6.686 -14.635 31.657 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 5.301 -14.980 32.249 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 0.485 -4.460 23.542 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 0.526 -4.637 22.570 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 1.334 -4.813 23.882 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 7.801 -1.662 24.072 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 8.602 -1.735 24.644 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 8.120 -1.890 23.193 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 0.779 -5.273 20.951 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 1.465 -4.971 20.351 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 0.485 -6.127 20.570 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 2.291 -9.826 23.218 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 3.014 -9.164 23.310 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 1.504 -9.287 22.987 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 6.578 -3.751 25.712 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 6.936 -3.264 26.487 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 6.786 -3.172 24.955 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 4.071 -7.779 23.490 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 3.465 -7.030 23.628 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 4.955 -7.397 23.638 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 4.742 -12.988 20.843 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 5.198 -12.520 20.136 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 3.890 -12.493 20.950 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 6.334 0.750 24.170 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 6.944 0.009 23.978 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 6.907 1.545 24.165 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 2.587 -2.908 26.127 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 3.011 -2.031 26.255 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 1.640 -2.727 26.203 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 10.129 -1.821 25.484 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 11.000 -2.216 25.584 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 10.181 -0.986 26.002 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 3.779 -0.565 27.091 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 4.695 -0.225 27.065 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 3.629 -0.773 28.031 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 1.591 4.706 16.155 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 1.177 3.870 15.925 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 0.890 5.357 16.045 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 6.082 3.607 22.139 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 5.672 4.342 22.641 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 6.856 3.355 22.679 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -2.497 10.096 17.496 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -2.993 9.418 17.983 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -2.048 9.591 16.776 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 2.426 -11.772 21.345 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 1.583 -12.252 21.482 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 2.426 -11.082 22.048 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 6.841 -12.327 24.796 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 7.038 -13.138 25.316 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 7.683 -11.841 24.793 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 2.719 -5.538 24.800 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 3.198 -6.130 25.412 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 2.831 -4.649 25.189 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 7.409 -6.630 32.950 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 7.649 -5.803 33.413 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 6.487 -6.808 33.245 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 0.051 -8.391 22.536 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -0.819 -7.954 22.710 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 0.232 -8.182 21.597 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 8.029 -8.469 24.816 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 8.617 -8.249 24.088 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 7.366 -7.747 24.816 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 7.678 3.241 24.410 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 8.614 3.052 24.657 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 7.446 4.029 24.942 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -0.043 1.240 22.461 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 0.213 1.202 21.531 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -0.736 0.547 22.549 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 3.586 -6.150 29.547 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 4.032 -5.504 28.964 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 4.154 -6.933 29.515 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 11.031 0.627 29.652 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 10.087 0.866 29.630 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 11.415 1.225 30.297 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 2.358 2.881 20.818 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 2.894 2.157 21.194 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 3.020 3.508 20.469 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 10.312 0.433 27.013 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 9.469 0.695 27.438 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 10.941 0.375 27.762 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 6.192 -6.396 24.764 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 5.511 -6.664 25.415 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 6.413 -5.474 25.018 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 6.011 -8.503 28.242 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 6.447 -8.093 29.024 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 6.745 -8.965 27.780 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 0.566 -10.373 19.852 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 1.432 -10.739 20.111 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -0.071 -11.003 20.211 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 7.401 -2.140 27.804 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 8.257 -2.337 28.201 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 6.819 -1.931 28.577 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 6.454 0.316 26.914 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 6.397 0.421 25.941 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 6.843 -0.575 27.038 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 4.259 -7.110 26.595 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 4.301 -6.273 27.105 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 4.797 -7.741 27.125 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 3.005 -1.488 29.594 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 2.096 -1.108 29.512 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 2.865 -2.446 29.560 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 4.865 -11.081 28.137 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 5.063 -10.184 28.464 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 4.819 -10.969 27.164 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 4.940 -10.454 25.425 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 5.726 -10.968 25.137 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 4.964 -9.654 24.879 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 4.394 -4.522 27.380 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 5.199 -4.262 26.886 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 3.701 -3.912 27.041 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 7.416 -7.731 30.442 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 8.225 -8.269 30.381 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 7.525 -7.222 31.276 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 5.720 -13.690 28.400 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 6.352 -13.732 29.149 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 5.479 -12.742 28.341 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 8.256 -9.774 27.228 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 8.235 -9.232 26.406 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 8.611 -10.641 26.929 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 8.904 -10.058 29.956 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 8.784 -9.952 28.987 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 9.534 -10.791 30.040 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -1.006 8.797 15.659 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -0.090 8.956 15.964 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -1.035 9.200 14.766 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 3.492 5.817 17.798 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 3.043 5.240 17.145 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 3.836 5.200 18.468 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -1.116 -2.446 24.663 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -0.495 -3.100 24.277 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -1.310 -1.838 23.922 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 0.114 -7.716 19.830 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 0.404 -8.657 19.751 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -0.508 -7.601 19.104 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -3.292 -2.943 22.470 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -3.198 -3.860 22.173 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -4.118 -2.946 22.983 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 1.457 5.801 27.368 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 0.951 5.694 26.533 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 1.242 4.998 27.875 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 6.685 5.426 26.011 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 5.775 5.381 26.384 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 6.842 6.386 25.882 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 4.961 5.603 23.626 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 4.696 6.225 22.911 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 5.568 6.117 24.175 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 10.181 2.535 25.224 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 11.072 2.671 24.891 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 10.269 1.782 25.846 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -0.739 6.187 22.729 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -1.509 6.580 22.282 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -0.062 6.120 22.024 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 1.275 6.173 20.920 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 1.274 6.579 20.023 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 1.768 5.346 20.805 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 4.413 1.441 22.179 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 4.877 0.910 22.850 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 5.026 2.184 22.000 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 9.900 -12.809 31.336 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 9.637 -12.843 32.283 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 10.816 -13.106 31.335 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 2.047 -3.554 40.425 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 1.347 -3.711 41.071 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 2.866 -3.464 40.976 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -2.058 0.041 37.481 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -1.391 -0.598 37.199 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -2.917 -0.414 37.305 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 2.388 -9.725 38.343 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 3.042 -10.273 37.859 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 1.611 -10.299 38.419 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 8.707 -7.483 35.219 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 8.397 -7.465 34.292 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 8.721 -6.546 35.477 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 0.988 -7.337 37.680 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 1.525 -8.154 37.759 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 1.589 -6.629 37.997 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 2.963 -7.930 40.365 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 2.938 -8.576 39.623 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 2.258 -8.222 40.954 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 2.828 -5.635 38.751 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 2.595 -4.848 39.288 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 3.058 -6.317 39.416 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 5.273 -13.279 35.156 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 4.916 -14.170 35.369 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 6.203 -13.312 35.479 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 3.781 -2.958 36.468 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 4.680 -2.660 36.199 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 3.780 -2.865 37.429 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 2.305 -1.045 32.252 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 2.887 -0.411 32.715 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 2.660 -1.075 31.348 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 3.690 -5.671 36.061 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 3.713 -4.695 35.991 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 3.505 -5.833 37.006 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 4.724 -6.297 41.736 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 4.155 -6.933 41.254 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 5.501 -6.810 41.976 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 7.891 -2.049 33.742 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 8.756 -1.802 33.396 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 7.257 -1.526 33.195 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -1.207 1.902 39.275 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -0.468 1.429 39.710 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -1.502 1.281 38.576 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 3.119 3.601 32.860 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 3.134 4.507 32.485 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 2.216 3.496 33.186 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 3.072 -13.268 38.788 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 2.512 -13.274 39.583 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 3.170 -14.215 38.560 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 4.140 -3.652 42.094 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 4.676 -3.337 42.827 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 4.392 -4.600 42.003 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 7.828 -4.642 34.878 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 7.973 -3.807 34.391 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 7.191 -4.406 35.567 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -0.920 -13.002 35.528 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -1.163 -12.786 36.457 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -1.759 -12.945 35.049 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 2.506 -8.840 35.412 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 2.056 -9.708 35.492 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 3.452 -9.053 35.492 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 6.342 -0.253 32.369 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 6.814 0.540 32.034 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 5.508 0.106 32.744 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 9.120 -12.826 33.968 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 8.627 -13.004 34.802 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 9.476 -11.914 34.093 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 6.399 -2.159 36.068 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 6.906 -1.599 36.666 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 6.879 -2.094 35.215 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -0.784 -5.128 38.210 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -0.279 -5.947 38.050 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -1.670 -5.434 38.430 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 3.990 0.875 33.444 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 3.749 1.787 33.177 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 3.806 0.849 34.390 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 1.173 -2.291 35.792 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 0.885 -2.273 36.727 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 2.127 -2.507 35.842 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 8.324 1.257 28.813 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 7.544 1.045 28.256 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 7.941 1.472 29.690 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 7.653 1.995 31.410 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 6.815 2.520 31.323 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 8.254 2.591 31.870 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 9.708 -10.276 34.575 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 9.070 -10.145 35.301 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 10.169 -9.429 34.510 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 7.852 -9.630 36.597 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 8.039 -9.512 37.535 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 8.133 -8.775 36.186 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 5.403 3.416 31.297 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 5.294 4.176 30.694 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 4.593 3.427 31.845 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -0.609 -12.724 40.245 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -1.238 -12.941 40.939 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 0.209 -13.189 40.508 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -0.079 -1.777 33.438 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 0.697 -1.451 32.935 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 0.255 -1.862 34.357 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 7.479 4.495 28.525 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 7.378 4.761 27.590 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 8.055 3.721 28.490 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 5.813 -1.404 29.883 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 6.005 -1.100 30.792 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 4.841 -1.470 29.855 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 5.015 -7.176 34.171 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 5.120 -8.011 34.670 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 4.554 -6.578 34.800 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 3.166 6.044 31.412 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 3.900 5.923 30.776 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 3.055 7.015 31.466 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -3.608 2.882 33.656 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -4.571 2.787 33.517 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -3.484 2.719 34.621 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -3.080 2.307 36.239 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -2.636 1.532 36.636 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -3.042 2.988 36.935 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 0.461 -2.574 38.427 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -0.117 -3.354 38.281 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 1.121 -2.889 39.079 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -1.804 -11.999 37.891 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -1.379 -12.244 38.746 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -1.492 -11.081 37.724 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -0.556 -9.678 37.081 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -0.245 -8.764 37.206 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 0.099 -10.074 36.476 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 4.108 -11.528 36.989 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 4.492 -12.150 36.337 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 3.767 -12.117 37.707 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 1.191 -11.227 35.520 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 1.860 -11.792 35.081 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 0.382 -11.780 35.522 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 5.263 -9.531 35.593 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 6.208 -9.553 35.853 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 4.849 -10.227 36.149 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 7.768 -13.168 36.292 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 8.094 -13.953 36.802 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 7.880 -12.429 36.903 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 5.348 5.730 29.687 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 5.586 6.640 29.998 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 6.204 5.354 29.361 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -3.607 19.096 -8.975 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -4.054 18.798 -9.796 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -2.929 18.397 -8.810 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -2.012 16.885 -8.871 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -1.976 15.975 -8.516 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -1.908 16.764 -9.841 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -0.435 24.961 -10.712 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 0.475 24.655 -10.553 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -0.424 25.896 -10.417 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 3.489 19.560 -6.172 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 3.612 19.912 -5.260 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 4.353 19.214 -6.406 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -3.207 21.780 -9.496 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -2.368 22.074 -9.084 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -3.299 20.845 -9.204 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -0.479 22.132 -8.437 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 0.002 22.295 -9.255 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 0.011 21.386 -8.015 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 -3.779 22.650 -13.907 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 -4.485 23.326 -13.863 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 -4.004 22.022 -13.189 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 2.416 19.918 1.067 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 2.405 20.065 2.042 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 1.787 19.174 0.936 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -3.429 12.924 -3.547 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -3.064 13.829 -3.542 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -3.200 12.578 -4.438 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -1.774 15.955 1.345 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -2.557 16.225 1.883 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -2.164 15.526 0.559 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -3.712 18.922 -6.144 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -3.633 19.120 -7.096 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -3.931 19.790 -5.735 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -0.791 19.787 6.669 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -0.675 19.227 5.877 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -0.132 20.505 6.550 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -2.114 20.399 3.390 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -1.576 20.984 2.817 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -2.762 21.001 3.802 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 1.337 23.691 -2.640 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 0.444 23.872 -3.010 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 1.157 23.289 -1.773 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 0.428 17.936 1.363 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 0.349 18.108 2.316 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -0.254 17.264 1.186 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 4.387 20.478 -0.837 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 3.658 20.292 -0.202 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 4.972 19.718 -0.749 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 3.904 23.253 -3.536 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 4.349 24.073 -3.259 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 2.994 23.345 -3.180 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 1.849 20.189 3.756 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 1.111 19.558 3.886 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 1.807 20.764 4.539 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 -2.666 15.593 -3.490 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 -1.856 15.892 -3.922 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 -3.388 16.021 -4.009 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 4.241 20.535 -3.713 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 4.305 20.415 -2.752 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 4.169 21.509 -3.825 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 1.133 20.051 -7.596 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 1.960 20.004 -7.067 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 0.830 19.140 -7.638 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 -4.408 21.233 -4.871 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 -4.468 22.110 -5.293 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 -4.648 21.408 -3.943 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 -0.320 18.522 4.161 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 -0.584 17.573 4.142 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 -1.118 19.006 3.836 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 -0.473 15.813 3.738 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 -0.957 15.728 2.889 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 0.215 15.146 3.686 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 1.000 21.807 5.971 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 1.609 22.389 6.451 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 0.616 22.386 5.277 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 2.347 24.529 5.717 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 1.705 24.224 5.048 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 2.087 25.462 5.888 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 1.592 22.423 0.210 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 1.874 21.515 0.445 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 2.432 22.905 0.074 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 5.072 25.002 5.768 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 4.119 24.761 5.773 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 5.526 24.165 5.647 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 2.201 24.436 -9.838 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 2.446 25.275 -10.300 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 3.043 23.984 -9.709 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -2.702 13.536 23.232 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -3.153 14.384 22.999 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -3.041 13.331 24.131 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 -3.052 12.686 16.338 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 -2.945 11.807 16.754 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 -2.249 12.783 15.775 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 -2.906 12.509 20.650 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 -2.199 11.843 20.540 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 -2.861 12.749 21.600 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 1.863 12.869 17.214 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 1.040 12.506 17.607 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 1.554 13.557 16.613 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 -0.210 11.403 18.305 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 -0.219 11.343 19.284 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 -1.093 11.066 18.039 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 1.183 8.954 21.651 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 1.073 7.982 21.645 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 2.006 9.103 21.133 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 3.614 10.878 17.825 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 3.058 11.680 17.669 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 4.469 11.108 17.447 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -0.909 12.658 14.655 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -0.418 11.840 14.492 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -1.411 12.802 13.831 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 4.302 4.754 20.299 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 4.439 5.684 20.581 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 5.057 4.273 20.693 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 3.927 8.979 24.712 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 3.079 9.470 24.669 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 4.215 8.927 23.791 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 -2.707 15.446 27.204 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 -2.564 16.089 26.505 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 -3.115 14.681 26.745 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 -2.281 17.830 20.073 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 -2.187 16.846 20.077 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 -1.786 18.116 20.848 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 4.707 7.281 21.449 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 4.190 7.868 20.854 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 5.418 7.865 21.797 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 4.202 5.297 27.164 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 4.521 5.424 28.083 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 3.270 5.600 27.191 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 -0.550 10.977 21.003 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 -0.382 11.557 21.779 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 0.027 10.197 21.162 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 1.650 10.364 23.977 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 1.011 11.096 23.938 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 1.453 9.832 23.178 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -2.385 7.758 20.899 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -1.632 8.330 20.710 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -2.820 7.636 20.022 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 -1.133 10.144 13.244 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 -0.973 9.660 12.429 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 -1.706 10.894 12.969 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 1.316 9.623 16.873 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 2.235 9.939 16.977 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 0.781 10.283 17.367 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 -0.115 12.568 23.186 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 0.411 13.376 23.208 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 -1.041 12.880 23.308 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -3.998 13.518 25.702 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -4.107 12.585 25.943 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 -4.917 13.844 25.564 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 -2.158 14.129 10.193 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 -1.424 14.255 9.583 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 -2.734 14.918 10.043 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 3.306 9.086 19.931 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 3.545 9.797 19.297 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 2.749 8.476 19.402 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 -4.261 15.705 34.114 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 -4.115 16.305 33.347 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 -3.513 15.872 34.689 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 6.375 8.142 25.511 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 5.432 8.411 25.385 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 6.753 8.852 26.045 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 6.324 8.960 22.836 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 6.631 8.568 23.672 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 6.387 9.925 22.991 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 6.287 11.488 23.915 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 5.420 11.894 24.019 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 6.907 12.215 24.027 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 -0.268 10.674 29.244 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 0.203 9.868 28.944 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 -0.402 11.184 28.436 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 1.455 8.512 28.531 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 2.140 8.797 27.913 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 1.291 7.579 28.290 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 5.738 8.227 30.681 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 6.666 8.532 30.805 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 5.206 8.935 31.055 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 -2.187 15.115 19.957 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 -2.700 15.076 19.124 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 -2.260 14.215 20.319 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 -5.137 8.647 16.410 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 -6.038 8.248 16.330 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 -4.774 8.591 15.517 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 1.566 7.507 18.554 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 1.347 8.150 17.845 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 2.247 6.918 18.144 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 8.307 9.122 31.006 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 8.942 9.607 30.468 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 8.801 8.879 31.796 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 -0.490 7.709 37.343 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 0.124 6.997 37.560 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 -1.287 7.507 37.881 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 0.954 7.765 33.628 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 1.377 8.154 34.429 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 1.502 8.092 32.887 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 0.549 5.610 31.923 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 1.477 5.716 31.617 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 0.448 6.300 32.611 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 -2.213 9.800 32.823 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 -1.273 9.945 32.601 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 -2.184 9.174 33.578 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 1.612 8.974 35.990 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 1.988 9.716 36.471 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 0.833 8.712 36.520 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 -0.705 3.363 32.894 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 -0.206 4.067 32.436 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 -1.168 3.834 33.618 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 -1.013 4.930 29.810 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 -0.370 4.328 29.411 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 -0.552 5.281 30.600 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 2.133 8.671 31.286 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 1.584 9.434 31.566 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 1.928 8.569 30.334 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 0.332 35.756 -13.106 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 -0.250 35.584 -13.875 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 -0.233 36.267 -12.489 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 2.571 26.859 -11.006 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 1.692 27.098 -10.641 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 2.927 27.706 -11.333 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 0.960 37.150 -9.424 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 1.668 37.020 -10.094 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 1.141 36.459 -8.746 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 1.756 31.576 -10.731 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 1.571 31.790 -9.785 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 1.881 32.461 -11.154 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 -0.101 39.645 -8.860 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 0.314 38.780 -9.064 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 -0.032 39.719 -7.884 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 2.516 36.805 -11.655 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 1.886 36.530 -12.350 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 2.731 37.738 -11.884 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 -1.530 35.227 -15.148 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 -1.537 34.490 -15.771 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 -2.169 35.863 -15.520 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 2.008 34.079 -11.719 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 1.308 34.465 -12.285 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 2.555 34.846 -11.470 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 1.403 29.254 -13.827 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 2.112 29.272 -13.148 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 1.871 29.092 -14.652 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 1.308 32.309 -8.173 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 2.100 32.417 -7.609 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 0.661 31.862 -7.582 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 2.112 29.724 -6.197 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 1.859 28.901 -6.655 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 1.264 30.214 -6.098 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 4.073 30.616 -4.585 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 4.545 29.805 -4.317 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 3.381 30.292 -5.213 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 0.212 27.519 -9.814 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 -0.244 28.372 -9.864 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 0.648 27.528 -8.929 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 2.489 39.365 -12.514 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 1.512 39.418 -12.629 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 2.793 40.258 -12.676 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 -1.627 41.383 -10.242 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 -1.132 40.673 -9.756 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 -0.936 41.976 -10.555 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 3.176 29.468 -11.717 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 2.651 30.203 -11.317 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 4.078 29.635 -11.418 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 1.585 27.199 -7.497 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 1.161 26.329 -7.355 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 2.509 27.066 -7.186 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 3.922 26.633 -6.176 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 4.369 27.105 -5.464 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 3.368 25.972 -5.716 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 4.442 25.610 -2.053 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 3.657 26.136 -2.327 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 4.087 24.965 -1.417 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 -2.888 32.125 -15.597 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 -2.447 31.440 -15.052 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 -3.122 31.652 -16.429 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 -0.216 29.963 -11.745 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 0.391 30.599 -11.304 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 0.330 29.571 -12.459 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 -4.493 26.599 -13.183 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 -5.118 25.883 -13.427 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 -3.811 26.142 -12.650 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 -1.055 37.296 -11.268 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 -0.358 37.252 -10.574 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 -1.906 37.234 -10.754 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 -2.913 24.604 -11.904 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 -2.768 23.965 -12.623 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 -2.029 24.688 -11.475 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 1.836 25.150 -5.088 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 1.366 24.820 -5.887 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 1.671 24.465 -4.414 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 -0.956 28.169 3.630 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 -0.546 28.621 4.404 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 -1.878 27.968 3.928 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 5.371 38.071 2.367 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 5.444 38.315 1.436 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 6.060 38.580 2.803 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 1.086 29.356 -3.115 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 1.215 30.203 -3.589 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 1.583 29.470 -2.268 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 3.738 35.936 -0.529 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 3.880 35.178 -1.108 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 3.266 36.587 -1.099 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 0.334 23.589 4.008 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 -0.016 22.956 3.344 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 0.326 24.455 3.537 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 3.637 35.965 2.166 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 3.688 35.934 1.179 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 4.280 36.666 2.414 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 0.547 34.100 0.803 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 0.444 34.998 1.148 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 1.407 33.798 1.174 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 2.912 33.294 1.948 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 3.642 32.904 1.411 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 3.256 34.172 2.212 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 0.483 29.742 5.313 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 0.959 30.275 4.641 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 0.118 30.399 5.920 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 2.330 33.468 -2.765 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 1.838 34.298 -2.930 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 1.871 32.808 -3.327 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 -1.103 32.589 3.577 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 -1.392 32.590 4.523 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 -1.650 31.885 3.165 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 -2.336 37.516 4.355 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 -2.015 36.661 4.000 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 -2.243 38.125 3.618 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 -1.570 36.651 -2.108 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 -1.786 36.484 -3.046 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 -2.451 36.783 -1.685 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 0.219 25.934 2.640 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 -0.237 26.699 3.051 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 0.969 26.330 2.176 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 0.976 28.989 1.844 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 0.275 28.708 2.462 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 1.353 29.788 2.259 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 1.765 27.234 5.944 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 1.315 28.080 5.764 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 2.714 27.480 6.025 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 2.548 27.093 -3.314 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 2.146 26.471 -3.960 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 1.906 27.840 -3.269 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1493 5.011 32.365 0.455 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1493 4.861 32.214 -0.505 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1493 5.977 32.543 0.521 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1494 8.958 31.708 -1.962 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1494 8.171 31.207 -2.294 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1494 9.266 32.198 -2.729 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1495 7.766 32.460 0.451 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1495 8.204 32.444 -0.420 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1495 8.229 31.776 0.958 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1496 2.201 29.311 -0.626 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1496 1.669 29.102 0.169 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1496 3.102 29.469 -0.269 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1497 4.392 29.760 0.944 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1497 4.634 30.708 0.880 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1497 4.946 29.421 1.650 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1498 1.365 31.418 3.268 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1498 0.561 31.976 3.342 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1498 2.031 32.012 2.853 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1499 -2.370 30.400 2.531 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1499 -2.078 29.569 2.954 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1499 -3.354 30.357 2.571 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1500 0.560 35.431 -3.329 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1500 -0.116 35.682 -2.665 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1500 0.130 35.604 -4.180 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1501 4.467 27.635 6.137 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1501 4.750 26.713 5.944 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1501 5.225 28.027 6.573 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1502 2.224 37.367 -2.276 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1502 1.696 38.148 -2.525 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1502 1.775 36.627 -2.724 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1503 9.375 29.927 0.130 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1503 9.355 30.566 -0.608 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1503 9.474 29.074 -0.297 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1504 6.736 30.416 -2.735 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1504 6.267 29.598 -2.987 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1504 6.022 31.021 -2.451 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1505 -2.408 38.854 -4.796 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1505 -1.980 38.024 -5.071 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1505 -3.253 38.557 -4.371 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1506 -0.639 22.200 1.870 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1506 0.204 22.140 1.370 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1506 -1.233 22.699 1.267 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1507 -2.121 36.051 -4.725 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1507 -3.017 36.431 -4.558 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1507 -2.298 35.222 -5.188 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1508 1.448 35.032 -7.659 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1508 1.993 34.715 -6.922 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1508 1.213 34.220 -8.146 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1509 2.684 32.849 -5.860 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1509 1.916 32.424 -5.429 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1509 3.453 32.403 -5.462 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1510 4.473 31.936 -2.229 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1510 3.737 32.590 -2.230 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1510 4.348 31.444 -3.071 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1511 -4.971 39.414 -1.040 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1511 -4.728 38.524 -1.394 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1511 -4.888 40.009 -1.814 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1512 -4.162 37.372 0.881 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1512 -4.209 38.325 0.713 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1512 -4.188 36.972 -0.024 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1513 -3.572 30.100 6.340 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1513 -4.377 29.941 5.823 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1513 -3.428 29.256 6.818 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1514 -2.640 25.218 6.694 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1514 -1.694 25.311 6.879 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1514 -2.683 25.111 5.712 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1515 4.194 23.269 -0.445 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1515 5.093 23.504 -0.193 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1515 4.275 22.359 -0.803 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1516 -0.068 38.759 -3.098 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1516 -0.443 38.110 -2.470 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1516 -0.846 39.149 -3.525 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1517 5.053 28.222 -3.389 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1517 5.512 27.491 -2.947 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1517 4.102 27.993 -3.296 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1518 -0.082 39.807 -6.089 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1518 0.526 39.633 -5.359 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1518 -0.965 39.740 -5.687 1.00 0.00 WAT1 END