REMARK FILENAME="/farm/data/gliu/projects/SgR46/cns/calc24_hb/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -547.098, 67.5737, 103.529, 45.8024, 542.538, -535.875, -773.377, 2.264, 0.44544 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 5.988918E-03,0.447389,1.12004,42.1554,3.829255E-03,0.222265 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 38, 8 REMARK =============================================================== REMARK DATE:22-Jan-2010 14:19:33 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 7.712 -2.689 -10.017 1.00 71.42 ATOM 2 CB MET 1 6.837 -4.528 -10.690 1.00 23.41 ATOM 3 HB1 MET 1 5.805 -4.212 -10.730 1.00 36.42 ATOM 4 HB2 MET 1 6.871 -5.570 -10.397 1.00 4.45 ATOM 5 CG MET 1 7.426 -4.407 -12.093 1.00 1.21 ATOM 6 HG1 MET 1 8.430 -4.809 -12.085 1.00 36.42 ATOM 7 HG2 MET 1 7.462 -3.363 -12.365 1.00 45.03 ATOM 8 SD MET 1 6.461 -5.288 -13.338 1.00 11.12 ATOM 9 CE MET 1 4.875 -4.458 -13.207 1.00 10.50 ATOM 10 HE1 MET 1 4.500 -4.555 -12.200 1.00 71.14 ATOM 11 HE2 MET 1 4.174 -4.907 -13.897 1.00 41.20 ATOM 12 HE3 MET 1 4.997 -3.413 -13.447 1.00 62.03 ATOM 13 C MET 1 6.747 -3.588 -8.334 1.00 74.42 ATOM 14 O MET 1 7.307 -3.478 -7.243 1.00 25.00 ATOM 15 N MET 1 8.925 -4.259 -9.372 1.00 35.22 ATOM 16 HT1 MET 1 9.463 -4.328 -10.260 1.00 36.42 ATOM 17 HT2 MET 1 8.843 -5.212 -8.958 1.00 36.42 ATOM 18 HT3 MET 1 9.450 -3.651 -8.711 1.00 36.42 ATOM 19 CA MET 1 7.574 -3.689 -9.631 1.00 61.23 ATOM 20 N ALA 2 5.418 -3.610 -8.455 1.00 42.11 ATOM 21 HN ALA 2 5.020 -3.775 -9.335 1.00 36.42 ATOM 22 CA ALA 2 4.530 -3.410 -7.301 1.00 4.13 ATOM 23 HA ALA 2 4.948 -2.613 -6.701 1.00 62.15 ATOM 24 CB ALA 2 3.152 -2.956 -7.776 1.00 11.32 ATOM 25 HB1 ALA 2 3.255 -2.078 -8.397 1.00 72.02 ATOM 26 HB2 ALA 2 2.535 -2.720 -6.921 1.00 34.14 ATOM 27 HB3 ALA 2 2.688 -3.748 -8.347 1.00 20.22 ATOM 28 C ALA 2 4.407 -4.671 -6.427 1.00 2.34 ATOM 29 O ALA 2 4.945 -4.724 -5.317 1.00 23.42 ATOM 30 N ALA 3 3.698 -5.680 -6.931 1.00 62.15 ATOM 31 HN ALA 3 3.336 -5.598 -7.842 1.00 36.42 ATOM 32 CA ALA 3 3.452 -6.919 -6.179 1.00 72.51 ATOM 33 HA ALA 3 4.404 -7.279 -5.811 1.00 23.13 ATOM 34 CB ALA 3 2.550 -6.643 -4.975 1.00 52.11 ATOM 35 HB1 ALA 3 2.394 -7.559 -4.422 1.00 52.53 ATOM 36 HB2 ALA 3 1.599 -6.261 -5.316 1.00 1.10 ATOM 37 HB3 ALA 3 3.020 -5.913 -4.332 1.00 40.41 ATOM 38 C ALA 3 2.825 -8.002 -7.070 1.00 22.35 ATOM 39 O ALA 3 2.287 -7.707 -8.138 1.00 63.01 ATOM 40 N SER 4 2.887 -9.253 -6.617 1.00 63.51 ATOM 41 HN SER 4 3.346 -9.429 -5.768 1.00 36.42 ATOM 42 CA SER 4 2.299 -10.380 -7.359 1.00 32.14 ATOM 43 HA SER 4 2.517 -10.235 -8.408 1.00 53.14 ATOM 44 CB SER 4 2.927 -11.706 -6.904 1.00 13.13 ATOM 45 HB1 SER 4 2.709 -11.865 -5.857 1.00 36.42 ATOM 46 HB2 SER 4 3.998 -11.660 -7.042 1.00 70.24 ATOM 47 OG SER 4 2.423 -12.810 -7.648 1.00 22.43 ATOM 48 HG SER 4 2.023 -12.489 -8.471 1.00 2.31 ATOM 49 C SER 4 0.776 -10.439 -7.179 1.00 32.52 ATOM 50 O SER 4 0.086 -11.176 -7.886 1.00 23.44 ATOM 51 N THR 5 0.261 -9.670 -6.221 1.00 61.13 ATOM 52 HN THR 5 0.867 -9.148 -5.656 1.00 36.42 ATOM 53 CA THR 5 -1.185 -9.589 -5.976 1.00 12.31 ATOM 54 HA THR 5 -1.546 -10.588 -5.772 1.00 44.12 ATOM 55 CB THR 5 -1.497 -8.695 -4.749 1.00 3.21 ATOM 56 HB THR 5 -1.191 -7.682 -4.975 1.00 41.51 ATOM 57 OG1 THR 5 -0.762 -9.154 -3.600 1.00 0.20 ATOM 58 HG1 THR 5 -1.355 -9.198 -2.837 1.00 34.05 ATOM 59 CG2 THR 5 -2.991 -8.693 -4.429 1.00 65.35 ATOM 60 HG21 THR 5 -3.307 -9.694 -4.173 1.00 61.22 ATOM 61 HG22 THR 5 -3.545 -8.351 -5.291 1.00 70.45 ATOM 62 HG23 THR 5 -3.179 -8.032 -3.596 1.00 2.01 ATOM 63 C THR 5 -1.924 -9.026 -7.201 1.00 20.02 ATOM 64 O THR 5 -1.762 -7.853 -7.554 1.00 32.14 ATOM 65 N VAL 6 -2.734 -9.861 -7.849 1.00 73.11 ATOM 66 HN VAL 6 -2.866 -10.766 -7.498 1.00 36.42 ATOM 67 CA VAL 6 -3.439 -9.457 -9.072 1.00 1.33 ATOM 68 HA VAL 6 -2.808 -8.746 -9.588 1.00 14.05 ATOM 69 CB VAL 6 -3.667 -10.664 -10.026 1.00 61.35 ATOM 70 HB VAL 6 -2.705 -11.116 -10.224 1.00 45.40 ATOM 71 CG1 VAL 6 -4.553 -11.728 -9.381 1.00 4.53 ATOM 72 HG11 VAL 6 -4.103 -12.060 -8.457 1.00 74.31 ATOM 73 HG12 VAL 6 -4.653 -12.568 -10.053 1.00 65.20 ATOM 74 HG13 VAL 6 -5.530 -11.313 -9.177 1.00 20.44 ATOM 75 CG2 VAL 6 -4.251 -10.199 -11.364 1.00 44.53 ATOM 76 HG21 VAL 6 -5.214 -9.736 -11.199 1.00 75.40 ATOM 77 HG22 VAL 6 -4.367 -11.047 -12.022 1.00 74.30 ATOM 78 HG23 VAL 6 -3.581 -9.482 -11.819 1.00 55.35 ATOM 79 C VAL 6 -4.786 -8.776 -8.764 1.00 31.12 ATOM 80 O VAL 6 -5.552 -9.224 -7.909 1.00 64.23 ATOM 81 N HIS 7 -5.055 -7.676 -9.463 1.00 43.14 ATOM 82 HN HIS 7 -4.381 -7.339 -10.087 1.00 36.42 ATOM 83 CA HIS 7 -6.321 -6.954 -9.334 1.00 33.23 ATOM 84 HA HIS 7 -7.027 -7.604 -8.837 1.00 34.33 ATOM 85 CB HIS 7 -6.135 -5.686 -8.488 1.00 71.13 ATOM 86 HB1 HIS 7 -5.282 -5.134 -8.861 1.00 36.42 ATOM 87 HB2 HIS 7 -5.954 -5.966 -7.461 1.00 25.22 ATOM 88 CG HIS 7 -7.325 -4.773 -8.513 1.00 53.21 ATOM 89 ND1 HIS 7 -7.343 -3.589 -9.216 1.00 5.41 ATOM 90 HD1 HIS 7 -6.595 -3.212 -9.726 1.00 41.23 ATOM 91 CD2 HIS 7 -8.548 -4.879 -7.936 1.00 61.12 ATOM 92 HD2 HIS 7 -8.892 -5.684 -7.302 1.00 31.42 ATOM 93 CE1 HIS 7 -8.515 -3.011 -9.075 1.00 72.32 ATOM 94 HE1 HIS 7 -8.812 -2.071 -9.516 1.00 12.04 ATOM 95 NE2 HIS 7 -9.263 -3.770 -8.306 1.00 12.13 ATOM 96 HE2 HIS 7 -10.219 -3.626 -8.138 1.00 36.42 ATOM 97 C HIS 7 -6.881 -6.591 -10.715 1.00 22.53 ATOM 98 O HIS 7 -6.297 -5.785 -11.440 1.00 53.43 ATOM 99 N THR 8 -8.013 -7.187 -11.070 1.00 23.51 ATOM 100 HN THR 8 -8.429 -7.827 -10.453 1.00 36.42 ATOM 101 CA THR 8 -8.659 -6.917 -12.357 1.00 72.21 ATOM 102 HA THR 8 -7.891 -6.910 -13.120 1.00 63.14 ATOM 103 CB THR 8 -9.689 -8.019 -12.717 1.00 5.10 ATOM 104 HB THR 8 -10.487 -7.997 -11.988 1.00 24.55 ATOM 105 OG1 THR 8 -9.066 -9.313 -12.682 1.00 43.51 ATOM 106 HG1 THR 8 -9.358 -9.828 -13.446 1.00 1.21 ATOM 107 CG2 THR 8 -10.289 -7.784 -14.102 1.00 23.14 ATOM 108 HG21 THR 8 -10.996 -8.570 -14.326 1.00 55.22 ATOM 109 HG22 THR 8 -9.501 -7.789 -14.842 1.00 1.54 ATOM 110 HG23 THR 8 -10.795 -6.830 -14.121 1.00 64.54 ATOM 111 C THR 8 -9.370 -5.556 -12.347 1.00 22.02 ATOM 112 O THR 8 -10.200 -5.286 -11.478 1.00 53.42 ATOM 113 N SER 9 -9.026 -4.697 -13.305 1.00 4.03 ATOM 114 HN SER 9 -8.309 -4.944 -13.926 1.00 36.42 ATOM 115 CA SER 9 -9.702 -3.398 -13.468 1.00 34.43 ATOM 116 HA SER 9 -10.077 -3.092 -12.499 1.00 11.21 ATOM 117 CB SER 9 -8.717 -2.337 -13.983 1.00 35.33 ATOM 118 HB1 SER 9 -8.325 -2.648 -14.940 1.00 36.42 ATOM 119 HB2 SER 9 -7.902 -2.234 -13.282 1.00 62.11 ATOM 120 OG SER 9 -9.342 -1.071 -14.139 1.00 61.53 ATOM 121 HG SER 9 -9.630 -0.743 -13.277 1.00 21.13 ATOM 122 C SER 9 -10.890 -3.543 -14.432 1.00 62.53 ATOM 123 O SER 9 -11.033 -4.577 -15.085 1.00 20.03 ATOM 124 N PHE 10 -11.743 -2.523 -14.530 1.00 23.21 ATOM 125 HN PHE 10 -11.545 -1.685 -14.062 1.00 36.42 ATOM 126 CA PHE 10 -12.975 -2.633 -15.332 1.00 71.31 ATOM 127 HA PHE 10 -12.835 -3.443 -16.036 1.00 63.24 ATOM 128 CB PHE 10 -14.163 -2.983 -14.421 1.00 33.20 ATOM 129 HB1 PHE 10 -15.058 -3.059 -15.021 1.00 36.42 ATOM 130 HB2 PHE 10 -14.295 -2.195 -13.692 1.00 13.23 ATOM 131 CG PHE 10 -13.987 -4.287 -13.679 1.00 34.31 ATOM 132 CD1 PHE 10 -14.252 -5.499 -14.303 1.00 1.13 ATOM 133 HD1 PHE 10 -14.595 -5.503 -15.329 1.00 33.34 ATOM 134 CD2 PHE 10 -13.545 -4.301 -12.361 1.00 33.32 ATOM 135 HD2 PHE 10 -13.338 -3.365 -11.860 1.00 63.23 ATOM 136 CE1 PHE 10 -14.079 -6.694 -13.629 1.00 11.34 ATOM 137 HE1 PHE 10 -14.293 -7.632 -14.126 1.00 74.14 ATOM 138 CE2 PHE 10 -13.373 -5.493 -11.685 1.00 24.21 ATOM 139 HE2 PHE 10 -13.028 -5.489 -10.662 1.00 61.11 ATOM 140 CZ PHE 10 -13.639 -6.690 -12.320 1.00 11.34 ATOM 141 HZ PHE 10 -13.503 -7.623 -11.794 1.00 75.33 ATOM 142 C PHE 10 -13.278 -1.350 -16.129 1.00 62.35 ATOM 143 O PHE 10 -13.257 -0.245 -15.585 1.00 73.44 ATOM 144 N ILE 11 -13.571 -1.518 -17.423 1.00 62.41 ATOM 145 HN ILE 11 -13.561 -2.427 -17.791 1.00 36.42 ATOM 146 CA ILE 11 -13.913 -0.395 -18.313 1.00 23.24 ATOM 147 HA ILE 11 -13.688 0.531 -17.799 1.00 51.24 ATOM 148 CB ILE 11 -13.087 -0.446 -19.627 1.00 72.42 ATOM 149 HB ILE 11 -13.380 -1.333 -20.170 1.00 21.33 ATOM 150 CG1 ILE 11 -11.584 -0.529 -19.317 1.00 73.30 ATOM 151 HG11 ILE 11 -11.394 -1.429 -18.749 1.00 36.42 ATOM 152 HG12 ILE 11 -11.293 0.326 -18.725 1.00 33.34 ATOM 153 CG2 ILE 11 -13.392 0.766 -20.511 1.00 72.40 ATOM 154 HG21 ILE 11 -12.816 0.705 -21.423 1.00 3.51 ATOM 155 HG22 ILE 11 -13.133 1.673 -19.984 1.00 2.34 ATOM 156 HG23 ILE 11 -14.446 0.781 -20.753 1.00 43.13 ATOM 157 CD1 ILE 11 -10.699 -0.565 -20.550 1.00 74.44 ATOM 158 HD11 ILE 11 -10.935 -1.440 -21.140 1.00 14.20 ATOM 159 HD12 ILE 11 -9.662 -0.606 -20.248 1.00 33.33 ATOM 160 HD13 ILE 11 -10.865 0.324 -21.141 1.00 42.33 ATOM 161 C ILE 11 -15.405 -0.417 -18.680 1.00 31.41 ATOM 162 O ILE 11 -15.986 -1.485 -18.863 1.00 54.31 ATOM 163 N LEU 12 -16.019 0.759 -18.796 1.00 54.23 ATOM 164 HN LEU 12 -15.518 1.580 -18.616 1.00 36.42 ATOM 165 CA LEU 12 -17.434 0.855 -19.180 1.00 23.23 ATOM 166 HA LEU 12 -17.880 -0.121 -19.047 1.00 14.15 ATOM 167 CB LEU 12 -18.166 1.857 -18.278 1.00 54.03 ATOM 168 HB1 LEU 12 -17.691 2.821 -18.393 1.00 36.42 ATOM 169 HB2 LEU 12 -18.044 1.538 -17.252 1.00 10.02 ATOM 170 CG LEU 12 -19.672 2.026 -18.560 1.00 2.41 ATOM 171 HG LEU 12 -19.810 2.246 -19.611 1.00 32.15 ATOM 172 CD1 LEU 12 -20.432 0.738 -18.259 1.00 11.31 ATOM 173 HD11 LEU 12 -20.067 -0.055 -18.895 1.00 15.54 ATOM 174 HD12 LEU 12 -21.486 0.889 -18.444 1.00 62.03 ATOM 175 HD13 LEU 12 -20.284 0.466 -17.223 1.00 61.34 ATOM 176 CD2 LEU 12 -20.248 3.192 -17.760 1.00 64.24 ATOM 177 HD21 LEU 12 -20.169 2.981 -16.703 1.00 41.01 ATOM 178 HD22 LEU 12 -21.288 3.332 -18.021 1.00 32.25 ATOM 179 HD23 LEU 12 -19.699 4.094 -17.988 1.00 63.43 ATOM 180 C LEU 12 -17.600 1.276 -20.651 1.00 13.45 ATOM 181 O LEU 12 -17.004 2.254 -21.108 1.00 11.32 ATOM 182 N LYS 13 -18.412 0.528 -21.387 1.00 74.10 ATOM 183 HN LYS 13 -18.771 -0.294 -21.002 1.00 36.42 ATOM 184 CA LYS 13 -18.791 0.894 -22.753 1.00 10.33 ATOM 185 HA LYS 13 -18.259 1.799 -23.018 1.00 55.43 ATOM 186 CB LYS 13 -18.422 -0.211 -23.752 1.00 55.23 ATOM 187 HB1 LYS 13 -18.748 0.090 -24.739 1.00 36.42 ATOM 188 HB2 LYS 13 -18.945 -1.115 -23.475 1.00 4.13 ATOM 189 CG LYS 13 -16.930 -0.527 -23.819 1.00 31.22 ATOM 190 HG1 LYS 13 -16.638 -1.036 -22.911 1.00 36.42 ATOM 191 HG2 LYS 13 -16.378 0.398 -23.905 1.00 4.13 ATOM 192 CD LYS 13 -16.593 -1.415 -25.016 1.00 14.43 ATOM 193 HD1 LYS 13 -15.549 -1.695 -24.959 1.00 36.42 ATOM 194 HD2 LYS 13 -16.764 -0.856 -25.925 1.00 70.34 ATOM 195 CE LYS 13 -17.442 -2.682 -25.051 1.00 2.10 ATOM 196 HE1 LYS 13 -17.156 -3.266 -25.913 1.00 36.42 ATOM 197 HE2 LYS 13 -18.483 -2.405 -25.137 1.00 13.12 ATOM 198 NZ LYS 13 -17.267 -3.507 -23.830 1.00 71.24 ATOM 199 HZ1 LYS 13 -17.910 -4.320 -23.845 1.00 65.05 ATOM 200 HZ2 LYS 13 -17.459 -2.941 -22.982 1.00 73.33 ATOM 201 HZ3 LYS 13 -16.287 -3.858 -23.774 1.00 21.11 ATOM 202 C LYS 13 -20.296 1.171 -22.833 1.00 54.03 ATOM 203 O LYS 13 -21.105 0.453 -22.240 1.00 45.13 ATOM 204 N VAL 14 -20.665 2.210 -23.568 1.00 52.50 ATOM 205 HN VAL 14 -19.977 2.728 -24.033 1.00 36.42 ATOM 206 CA VAL 14 -22.065 2.603 -23.713 1.00 34.54 ATOM 207 HA VAL 14 -22.675 1.886 -23.177 1.00 32.02 ATOM 208 CB VAL 14 -22.315 4.003 -23.094 1.00 71.41 ATOM 209 HB VAL 14 -21.631 4.705 -23.554 1.00 42.12 ATOM 210 CG1 VAL 14 -23.739 4.479 -23.371 1.00 22.43 ATOM 211 HG11 VAL 14 -23.904 4.525 -24.438 1.00 62.05 ATOM 212 HG12 VAL 14 -23.884 5.461 -22.944 1.00 12.05 ATOM 213 HG13 VAL 14 -24.442 3.787 -22.929 1.00 43.14 ATOM 214 CG2 VAL 14 -22.033 3.981 -21.591 1.00 35.14 ATOM 215 HG21 VAL 14 -21.015 3.661 -21.419 1.00 45.21 ATOM 216 HG22 VAL 14 -22.711 3.294 -21.104 1.00 74.13 ATOM 217 HG23 VAL 14 -22.172 4.972 -21.182 1.00 41.34 ATOM 218 C VAL 14 -22.493 2.607 -25.190 1.00 24.24 ATOM 219 O VAL 14 -21.950 3.352 -26.008 1.00 51.05 ATOM 220 N LEU 15 -23.459 1.761 -25.527 1.00 62.34 ATOM 221 HN LEU 15 -23.824 1.159 -24.846 1.00 36.42 ATOM 222 CA LEU 15 -23.995 1.705 -26.888 1.00 34.14 ATOM 223 HA LEU 15 -23.191 1.932 -27.576 1.00 14.41 ATOM 224 CB LEU 15 -24.536 0.292 -27.188 1.00 63.44 ATOM 225 HB1 LEU 15 -25.590 0.272 -26.945 1.00 36.42 ATOM 226 HB2 LEU 15 -24.028 -0.407 -26.535 1.00 30.42 ATOM 227 CG LEU 15 -24.367 -0.204 -28.640 1.00 22.50 ATOM 228 HG LEU 15 -23.311 -0.303 -28.854 1.00 15.21 ATOM 229 CD1 LEU 15 -25.000 -1.585 -28.812 1.00 64.20 ATOM 230 HD11 LEU 15 -26.052 -1.533 -28.569 1.00 64.01 ATOM 231 HD12 LEU 15 -24.513 -2.290 -28.155 1.00 14.55 ATOM 232 HD13 LEU 15 -24.883 -1.911 -29.836 1.00 2.25 ATOM 233 CD2 LEU 15 -24.958 0.788 -29.641 1.00 72.32 ATOM 234 HD21 LEU 15 -24.441 1.734 -29.560 1.00 50.41 ATOM 235 HD22 LEU 15 -26.007 0.935 -29.429 1.00 43.23 ATOM 236 HD23 LEU 15 -24.845 0.403 -30.644 1.00 75.12 ATOM 237 C LEU 15 -25.103 2.760 -27.051 1.00 31.05 ATOM 238 O LEU 15 -26.234 2.564 -26.598 1.00 42.01 ATOM 239 N TRP 16 -24.759 3.886 -27.670 1.00 74.13 ATOM 240 HN TRP 16 -23.847 3.976 -28.017 1.00 36.42 ATOM 241 CA TRP 16 -25.702 4.998 -27.852 1.00 10.12 ATOM 242 HA TRP 16 -26.404 4.983 -27.029 1.00 72.20 ATOM 243 CB TRP 16 -24.934 6.328 -27.836 1.00 51.33 ATOM 244 HB1 TRP 16 -24.394 6.436 -28.767 1.00 36.42 ATOM 245 HB2 TRP 16 -24.225 6.317 -27.020 1.00 51.21 ATOM 246 CG TRP 16 -25.807 7.538 -27.666 1.00 23.45 ATOM 247 CD1 TRP 16 -26.483 8.211 -28.643 1.00 61.43 ATOM 248 HD1 TRP 16 -26.473 7.938 -29.689 1.00 31.14 ATOM 249 CD2 TRP 16 -26.086 8.224 -26.438 1.00 13.30 ATOM 250 NE1 TRP 16 -27.165 9.271 -28.099 1.00 70.50 ATOM 251 HE1 TRP 16 -27.723 9.903 -28.598 1.00 3.22 ATOM 252 CE2 TRP 16 -26.939 9.300 -26.748 1.00 14.24 ATOM 253 CE3 TRP 16 -25.701 8.030 -25.108 1.00 11.21 ATOM 254 HE3 TRP 16 -25.048 7.216 -24.828 1.00 54.14 ATOM 255 CZ2 TRP 16 -27.409 10.181 -25.777 1.00 51.44 ATOM 256 HZ2 TRP 16 -28.063 11.005 -26.023 1.00 44.21 ATOM 257 CZ3 TRP 16 -26.168 8.906 -24.145 1.00 62.53 ATOM 258 HZ3 TRP 16 -25.881 8.773 -23.112 1.00 1.40 ATOM 259 CH2 TRP 16 -27.015 9.968 -24.483 1.00 0.43 ATOM 260 HH2 TRP 16 -27.354 10.628 -23.697 1.00 61.43 ATOM 261 C TRP 16 -26.474 4.841 -29.171 1.00 64.50 ATOM 262 O TRP 16 -25.880 4.842 -30.250 1.00 23.41 ATOM 263 N LEU 17 -27.797 4.703 -29.083 1.00 73.21 ATOM 264 HN LEU 17 -28.229 4.768 -28.203 1.00 36.42 ATOM 265 CA LEU 17 -28.626 4.454 -30.270 1.00 43.13 ATOM 266 HA LEU 17 -27.961 4.281 -31.105 1.00 74.14 ATOM 267 CB LEU 17 -29.475 3.189 -30.060 1.00 32.31 ATOM 268 HB1 LEU 17 -30.202 3.129 -30.859 1.00 36.42 ATOM 269 HB2 LEU 17 -30.006 3.290 -29.123 1.00 41.11 ATOM 270 CG LEU 17 -28.687 1.871 -30.031 1.00 10.12 ATOM 271 HG LEU 17 -27.943 1.921 -29.248 1.00 64.01 ATOM 272 CD1 LEU 17 -29.613 0.698 -29.721 1.00 13.30 ATOM 273 HD11 LEU 17 -30.077 0.849 -28.757 1.00 71.24 ATOM 274 HD12 LEU 17 -29.041 -0.218 -29.704 1.00 0.41 ATOM 275 HD13 LEU 17 -30.378 0.630 -30.481 1.00 32.31 ATOM 276 CD2 LEU 17 -27.961 1.651 -31.360 1.00 44.44 ATOM 277 HD21 LEU 17 -27.396 0.731 -31.312 1.00 74.45 ATOM 278 HD22 LEU 17 -27.288 2.475 -31.547 1.00 4.25 ATOM 279 HD23 LEU 17 -28.683 1.589 -32.163 1.00 74.24 ATOM 280 C LEU 17 -29.542 5.635 -30.624 1.00 14.54 ATOM 281 O LEU 17 -29.558 6.666 -29.953 1.00 21.13 ATOM 282 N ASP 18 -30.312 5.441 -31.695 1.00 50.24 ATOM 283 HN ASP 18 -30.209 4.604 -32.189 1.00 36.42 ATOM 284 CA ASP 18 -31.293 6.417 -32.189 1.00 4.25 ATOM 285 HA ASP 18 -30.749 7.238 -32.634 1.00 51.44 ATOM 286 CB ASP 18 -32.125 5.727 -33.278 1.00 4.32 ATOM 287 HB1 ASP 18 -32.421 4.749 -32.921 1.00 36.42 ATOM 288 HB2 ASP 18 -31.513 5.603 -34.161 1.00 33.51 ATOM 289 CG ASP 18 -33.375 6.492 -33.673 1.00 24.31 ATOM 290 OD1 ASP 18 -34.450 6.210 -33.099 1.00 40.21 ATOM 291 OD2 ASP 18 -33.295 7.354 -34.573 1.00 41.52 ATOM 292 C ASP 18 -32.208 6.973 -31.076 1.00 73.45 ATOM 293 O ASP 18 -32.649 8.123 -31.136 1.00 71.44 ATOM 294 N GLN 19 -32.493 6.157 -30.065 1.00 4.52 ATOM 295 HN GLN 19 -32.085 5.270 -30.044 1.00 36.42 ATOM 296 CA GLN 19 -33.388 6.568 -28.977 1.00 33.10 ATOM 297 HA GLN 19 -33.344 7.646 -28.915 1.00 55.12 ATOM 298 CB GLN 19 -34.839 6.162 -29.295 1.00 33.24 ATOM 299 HB1 GLN 19 -35.205 6.795 -30.094 1.00 36.42 ATOM 300 HB2 GLN 19 -35.447 6.328 -28.417 1.00 12.54 ATOM 301 CG GLN 19 -35.010 4.709 -29.725 1.00 43.23 ATOM 302 HG1 GLN 19 -34.620 4.067 -28.947 1.00 36.42 ATOM 303 HG2 GLN 19 -34.451 4.546 -30.637 1.00 50.13 ATOM 304 CD GLN 19 -36.461 4.340 -29.976 1.00 34.31 ATOM 305 OE1 GLN 19 -37.160 3.871 -29.085 1.00 54.22 ATOM 306 NE2 GLN 19 -36.933 4.575 -31.184 1.00 42.41 ATOM 307 HE21 GLN 19 -36.333 4.972 -31.848 1.00 2.41 ATOM 308 HE22 GLN 19 -37.868 4.342 -31.365 1.00 2.33 ATOM 309 C GLN 19 -32.952 6.000 -27.617 1.00 54.44 ATOM 310 O GLN 19 -32.762 6.753 -26.660 1.00 25.01 ATOM 311 N ASN 20 -32.794 4.679 -27.539 1.00 20.14 ATOM 312 HN ASN 20 -32.925 4.142 -28.340 1.00 36.42 ATOM 313 CA ASN 20 -32.430 4.003 -26.286 1.00 13.21 ATOM 314 HA ASN 20 -32.802 4.604 -25.467 1.00 3.03 ATOM 315 CB ASN 20 -33.103 2.626 -26.229 1.00 15.52 ATOM 316 HB1 ASN 20 -32.774 2.106 -25.340 1.00 36.42 ATOM 317 HB2 ASN 20 -32.821 2.056 -27.101 1.00 14.15 ATOM 318 CG ASN 20 -34.618 2.730 -26.190 1.00 74.04 ATOM 319 OD1 ASN 20 -35.172 3.679 -25.652 1.00 65.21 ATOM 320 ND2 ASN 20 -35.300 1.766 -26.771 1.00 74.43 ATOM 321 HD21 ASN 20 -34.808 1.037 -27.197 1.00 12.22 ATOM 322 HD22 ASN 20 -36.280 1.821 -26.748 1.00 43.24 ATOM 323 C ASN 20 -30.907 3.860 -26.128 1.00 22.35 ATOM 324 O ASN 20 -30.138 4.199 -27.033 1.00 2.24 ATOM 325 N VAL 21 -30.479 3.345 -24.975 1.00 75.03 ATOM 326 HN VAL 21 -31.139 3.048 -24.311 1.00 36.42 ATOM 327 CA VAL 21 -29.051 3.210 -24.661 1.00 14.45 ATOM 328 HA VAL 21 -28.497 3.260 -25.590 1.00 52.12 ATOM 329 CB VAL 21 -28.585 4.381 -23.754 1.00 13.30 ATOM 330 HB VAL 21 -28.799 5.307 -24.273 1.00 60.03 ATOM 331 CG1 VAL 21 -29.358 4.394 -22.438 1.00 23.43 ATOM 332 HG11 VAL 21 -29.190 3.466 -21.911 1.00 63.13 ATOM 333 HG12 VAL 21 -30.414 4.505 -22.641 1.00 61.12 ATOM 334 HG13 VAL 21 -29.022 5.220 -21.827 1.00 42.41 ATOM 335 CG2 VAL 21 -27.086 4.323 -23.494 1.00 74.52 ATOM 336 HG21 VAL 21 -26.554 4.357 -24.434 1.00 34.40 ATOM 337 HG22 VAL 21 -26.846 3.405 -22.977 1.00 61.41 ATOM 338 HG23 VAL 21 -26.791 5.166 -22.885 1.00 41.10 ATOM 339 C VAL 21 -28.743 1.864 -23.975 1.00 62.20 ATOM 340 O VAL 21 -29.591 1.295 -23.286 1.00 51.33 ATOM 341 N ALA 22 -27.529 1.352 -24.179 1.00 11.02 ATOM 342 HN ALA 22 -26.903 1.832 -24.763 1.00 36.42 ATOM 343 CA ALA 22 -27.101 0.087 -23.561 1.00 55.25 ATOM 344 HA ALA 22 -27.835 -0.188 -22.814 1.00 0.51 ATOM 345 CB ALA 22 -27.060 -1.016 -24.610 1.00 64.21 ATOM 346 HB1 ALA 22 -28.025 -1.096 -25.089 1.00 75.02 ATOM 347 HB2 ALA 22 -26.814 -1.957 -24.138 1.00 2.11 ATOM 348 HB3 ALA 22 -26.311 -0.780 -25.352 1.00 73.02 ATOM 349 C ALA 22 -25.732 0.227 -22.876 1.00 41.12 ATOM 350 O ALA 22 -24.884 1.001 -23.320 1.00 11.20 ATOM 351 N ILE 23 -25.518 -0.528 -21.797 1.00 2.22 ATOM 352 HN ILE 23 -26.227 -1.134 -21.491 1.00 36.42 ATOM 353 CA ILE 23 -24.251 -0.471 -21.045 1.00 52.24 ATOM 354 HA ILE 23 -23.571 0.172 -21.590 1.00 24.20 ATOM 355 CB ILE 23 -24.457 0.140 -19.631 1.00 72.24 ATOM 356 HB ILE 23 -23.510 0.097 -19.108 1.00 72.12 ATOM 357 CG1 ILE 23 -25.508 -0.663 -18.834 1.00 71.10 ATOM 358 HG11 ILE 23 -25.178 -1.689 -18.742 1.00 36.42 ATOM 359 HG12 ILE 23 -26.448 -0.642 -19.364 1.00 24.01 ATOM 360 CG2 ILE 23 -24.863 1.613 -19.736 1.00 4.44 ATOM 361 HG21 ILE 23 -24.107 2.158 -20.286 1.00 54.44 ATOM 362 HG22 ILE 23 -24.957 2.036 -18.746 1.00 44.23 ATOM 363 HG23 ILE 23 -25.809 1.693 -20.252 1.00 1.24 ATOM 364 CD1 ILE 23 -25.759 -0.132 -17.435 1.00 54.22 ATOM 365 HD11 ILE 23 -24.836 -0.136 -16.876 1.00 52.32 ATOM 366 HD12 ILE 23 -26.484 -0.760 -16.937 1.00 54.11 ATOM 367 HD13 ILE 23 -26.139 0.877 -17.496 1.00 23.11 ATOM 368 C ILE 23 -23.597 -1.860 -20.902 1.00 64.22 ATOM 369 O ILE 23 -24.287 -2.869 -20.753 1.00 72.03 ATOM 370 N ALA 24 -22.262 -1.897 -20.954 1.00 62.34 ATOM 371 HN ALA 24 -21.773 -1.060 -21.117 1.00 36.42 ATOM 372 CA ALA 24 -21.498 -3.144 -20.791 1.00 30.51 ATOM 373 HA ALA 24 -22.043 -3.787 -20.112 1.00 1.33 ATOM 374 CB ALA 24 -21.369 -3.861 -22.128 1.00 32.32 ATOM 375 HB1 ALA 24 -20.866 -4.806 -21.984 1.00 51.30 ATOM 376 HB2 ALA 24 -20.798 -3.248 -22.811 1.00 42.21 ATOM 377 HB3 ALA 24 -22.352 -4.036 -22.539 1.00 42.15 ATOM 378 C ALA 24 -20.102 -2.871 -20.208 1.00 61.23 ATOM 379 O ALA 24 -19.546 -1.795 -20.402 1.00 31.23 ATOM 380 N VAL 25 -19.528 -3.852 -19.515 1.00 4.25 ATOM 381 HN VAL 25 -19.992 -4.715 -19.434 1.00 36.42 ATOM 382 CA VAL 25 -18.217 -3.677 -18.866 1.00 23.21 ATOM 383 HA VAL 25 -17.867 -2.676 -19.089 1.00 62.21 ATOM 384 CB VAL 25 -18.346 -3.808 -17.322 1.00 14.43 ATOM 385 HB VAL 25 -18.756 -4.784 -17.100 1.00 74.23 ATOM 386 CG1 VAL 25 -16.985 -3.701 -16.632 1.00 74.35 ATOM 387 HG11 VAL 25 -16.337 -4.491 -16.984 1.00 54.13 ATOM 388 HG12 VAL 25 -17.114 -3.794 -15.563 1.00 30.13 ATOM 389 HG13 VAL 25 -16.538 -2.742 -16.858 1.00 4.31 ATOM 390 CG2 VAL 25 -19.309 -2.756 -16.771 1.00 15.44 ATOM 391 HG21 VAL 25 -20.286 -2.893 -17.213 1.00 71.45 ATOM 392 HG22 VAL 25 -18.943 -1.768 -17.010 1.00 72.33 ATOM 393 HG23 VAL 25 -19.383 -2.862 -15.698 1.00 42.24 ATOM 394 C VAL 25 -17.174 -4.688 -19.381 1.00 70.21 ATOM 395 O VAL 25 -17.509 -5.824 -19.720 1.00 44.44 ATOM 396 N ASP 26 -15.909 -4.258 -19.444 1.00 51.41 ATOM 397 HN ASP 26 -15.720 -3.322 -19.228 1.00 36.42 ATOM 398 CA ASP 26 -14.795 -5.139 -19.828 1.00 24.53 ATOM 399 HA ASP 26 -15.208 -6.094 -20.124 1.00 75.43 ATOM 400 CB ASP 26 -14.012 -4.548 -21.005 1.00 22.34 ATOM 401 HB1 ASP 26 -13.264 -5.261 -21.326 1.00 36.42 ATOM 402 HB2 ASP 26 -13.520 -3.642 -20.682 1.00 72.24 ATOM 403 CG ASP 26 -14.898 -4.221 -22.187 1.00 61.40 ATOM 404 OD1 ASP 26 -15.495 -5.149 -22.769 1.00 71.11 ATOM 405 OD2 ASP 26 -15.003 -3.031 -22.549 1.00 41.02 ATOM 406 C ASP 26 -13.835 -5.357 -18.651 1.00 5.32 ATOM 407 O ASP 26 -13.536 -4.428 -17.897 1.00 15.04 ATOM 408 N GLN 27 -13.341 -6.581 -18.510 1.00 11.23 ATOM 409 HN GLN 27 -13.639 -7.286 -19.120 1.00 36.42 ATOM 410 CA GLN 27 -12.372 -6.906 -17.462 1.00 22.31 ATOM 411 HA GLN 27 -12.524 -6.207 -16.649 1.00 3.21 ATOM 412 CB GLN 27 -12.617 -8.333 -16.934 1.00 64.31 ATOM 413 HB1 GLN 27 -13.618 -8.382 -16.529 1.00 36.42 ATOM 414 HB2 GLN 27 -11.913 -8.533 -16.140 1.00 64.03 ATOM 415 CG GLN 27 -12.473 -9.432 -17.986 1.00 31.15 ATOM 416 HG1 GLN 27 -11.454 -9.438 -18.342 1.00 36.42 ATOM 417 HG2 GLN 27 -13.136 -9.214 -18.811 1.00 44.53 ATOM 418 CD GLN 27 -12.806 -10.814 -17.450 1.00 14.33 ATOM 419 OE1 GLN 27 -13.941 -11.274 -17.531 1.00 42.42 ATOM 420 NE2 GLN 27 -11.820 -11.483 -16.886 1.00 44.34 ATOM 421 HE21 GLN 27 -10.939 -11.063 -16.841 1.00 61.03 ATOM 422 HE22 GLN 27 -12.015 -12.375 -16.533 1.00 30.10 ATOM 423 C GLN 27 -10.924 -6.753 -17.976 1.00 2.55 ATOM 424 O GLN 27 -10.499 -7.441 -18.910 1.00 44.23 ATOM 425 N ILE 28 -10.177 -5.828 -17.379 1.00 71.11 ATOM 426 HN ILE 28 -10.580 -5.273 -16.681 1.00 36.42 ATOM 427 CA ILE 28 -8.772 -5.607 -17.740 1.00 13.11 ATOM 428 HA ILE 28 -8.696 -5.649 -18.821 1.00 54.30 ATOM 429 CB ILE 28 -8.285 -4.212 -17.278 1.00 4.11 ATOM 430 HB ILE 28 -8.404 -4.153 -16.204 1.00 41.42 ATOM 431 CG1 ILE 28 -9.130 -3.109 -17.935 1.00 62.40 ATOM 432 HG11 ILE 28 -10.165 -3.239 -17.651 1.00 36.42 ATOM 433 HG12 ILE 28 -9.046 -3.188 -19.009 1.00 74.21 ATOM 434 CG2 ILE 28 -6.801 -4.022 -17.596 1.00 2.22 ATOM 435 HG21 ILE 28 -6.487 -3.035 -17.288 1.00 70.23 ATOM 436 HG22 ILE 28 -6.643 -4.133 -18.658 1.00 61.24 ATOM 437 HG23 ILE 28 -6.218 -4.764 -17.067 1.00 70.12 ATOM 438 CD1 ILE 28 -8.718 -1.704 -17.545 1.00 74.41 ATOM 439 HD11 ILE 28 -9.359 -0.992 -18.040 1.00 40.23 ATOM 440 HD12 ILE 28 -7.693 -1.531 -17.840 1.00 34.33 ATOM 441 HD13 ILE 28 -8.810 -1.585 -16.475 1.00 65.34 ATOM 442 C ILE 28 -7.864 -6.690 -17.140 1.00 14.14 ATOM 443 O ILE 28 -7.708 -6.787 -15.921 1.00 25.35 ATOM 444 N VAL 29 -7.265 -7.495 -18.011 1.00 54.32 ATOM 445 HN VAL 29 -7.397 -7.336 -18.969 1.00 36.42 ATOM 446 CA VAL 29 -6.406 -8.606 -17.590 1.00 30.54 ATOM 447 HA VAL 29 -6.489 -8.720 -16.517 1.00 23.51 ATOM 448 CB VAL 29 -6.856 -9.928 -18.269 1.00 65.25 ATOM 449 HB VAL 29 -6.557 -9.889 -19.309 1.00 10.24 ATOM 450 CG1 VAL 29 -6.174 -11.136 -17.634 1.00 34.44 ATOM 451 HG11 VAL 29 -6.445 -11.197 -16.589 1.00 40.42 ATOM 452 HG12 VAL 29 -5.102 -11.032 -17.721 1.00 14.02 ATOM 453 HG13 VAL 29 -6.488 -12.038 -18.141 1.00 41.23 ATOM 454 CG2 VAL 29 -8.379 -10.073 -18.226 1.00 71.30 ATOM 455 HG21 VAL 29 -8.667 -10.997 -18.707 1.00 62.44 ATOM 456 HG22 VAL 29 -8.836 -9.242 -18.745 1.00 41.45 ATOM 457 HG23 VAL 29 -8.714 -10.083 -17.198 1.00 5.31 ATOM 458 C VAL 29 -4.940 -8.326 -17.957 1.00 71.21 ATOM 459 O VAL 29 -4.669 -7.516 -18.846 1.00 62.12 ATOM 460 N GLY 30 -4.002 -8.986 -17.274 1.00 1.13 ATOM 461 HN GLY 30 -4.268 -9.558 -16.520 1.00 36.42 ATOM 462 CA GLY 30 -2.587 -8.865 -17.626 1.00 21.11 ATOM 463 HA1 GLY 30 -1.999 -9.397 -16.895 1.00 36.42 ATOM 464 HA2 GLY 30 -2.310 -7.821 -17.604 1.00 53.04 ATOM 465 C GLY 30 -2.283 -9.430 -19.012 1.00 2.50 ATOM 466 O GLY 30 -1.631 -10.466 -19.148 1.00 72.22 ATOM 467 N LYS 31 -2.752 -8.719 -20.034 1.00 30.44 ATOM 468 HN LYS 31 -3.112 -7.827 -19.846 1.00 36.42 ATOM 469 CA LYS 31 -2.730 -9.186 -21.424 1.00 24.22 ATOM 470 HA LYS 31 -1.699 -9.248 -21.745 1.00 65.14 ATOM 471 CB LYS 31 -3.392 -10.574 -21.538 1.00 70.45 ATOM 472 HB1 LYS 31 -4.402 -10.509 -21.160 1.00 36.42 ATOM 473 HB2 LYS 31 -2.837 -11.272 -20.926 1.00 43.44 ATOM 474 CG LYS 31 -3.447 -11.129 -22.962 1.00 13.20 ATOM 475 HG1 LYS 31 -2.437 -11.294 -23.313 1.00 36.42 ATOM 476 HG2 LYS 31 -3.933 -10.404 -23.601 1.00 21.11 ATOM 477 CD LYS 31 -4.222 -12.446 -23.037 1.00 44.13 ATOM 478 HD1 LYS 31 -4.268 -12.764 -24.069 1.00 36.42 ATOM 479 HD2 LYS 31 -5.225 -12.285 -22.668 1.00 1.42 ATOM 480 CE LYS 31 -3.566 -13.548 -22.209 1.00 32.14 ATOM 481 HE1 LYS 31 -3.509 -13.225 -21.179 1.00 36.42 ATOM 482 HE2 LYS 31 -2.568 -13.723 -22.585 1.00 12.41 ATOM 483 NZ LYS 31 -4.333 -14.821 -22.273 1.00 21.31 ATOM 484 HZ1 LYS 31 -5.292 -14.683 -21.897 1.00 42.51 ATOM 485 HZ2 LYS 31 -3.856 -15.555 -21.713 1.00 15.41 ATOM 486 HZ3 LYS 31 -4.403 -15.147 -23.258 1.00 32.41 ATOM 487 C LYS 31 -3.483 -8.187 -22.318 1.00 65.40 ATOM 488 O LYS 31 -3.103 -7.942 -23.465 1.00 65.12 ATOM 489 N GLY 32 -4.553 -7.615 -21.765 1.00 53.23 ATOM 490 HN GLY 32 -4.779 -7.835 -20.835 1.00 36.42 ATOM 491 CA GLY 32 -5.384 -6.665 -22.497 1.00 13.40 ATOM 492 HA1 GLY 32 -5.542 -7.036 -23.500 1.00 36.42 ATOM 493 HA2 GLY 32 -4.868 -5.718 -22.552 1.00 13.35 ATOM 494 C GLY 32 -6.743 -6.447 -21.830 1.00 54.22 ATOM 495 O GLY 32 -6.817 -6.213 -20.621 1.00 30.22 ATOM 496 N THR 33 -7.817 -6.530 -22.612 1.00 74.43 ATOM 497 HN THR 33 -7.695 -6.715 -23.565 1.00 36.42 ATOM 498 CA THR 33 -9.185 -6.359 -22.095 1.00 13.32 ATOM 499 HA THR 33 -9.151 -6.437 -21.015 1.00 21.43 ATOM 500 CB THR 33 -9.778 -4.975 -22.467 1.00 54.05 ATOM 501 HB THR 33 -10.809 -4.944 -22.138 1.00 24.51 ATOM 502 OG1 THR 33 -9.739 -4.783 -23.893 1.00 61.10 ATOM 503 HG1 THR 33 -10.373 -5.377 -24.315 1.00 74.34 ATOM 504 CG2 THR 33 -9.018 -3.847 -21.778 1.00 71.23 ATOM 505 HG21 THR 33 -7.981 -3.876 -22.079 1.00 45.43 ATOM 506 HG22 THR 33 -9.084 -3.968 -20.707 1.00 21.14 ATOM 507 HG23 THR 33 -9.448 -2.897 -22.060 1.00 14.32 ATOM 508 C THR 33 -10.116 -7.443 -22.641 1.00 75.43 ATOM 509 O THR 33 -10.092 -7.749 -23.832 1.00 74.32 ATOM 510 N SER 34 -10.935 -8.020 -21.768 1.00 2.43 ATOM 511 HN SER 34 -10.908 -7.732 -20.830 1.00 36.42 ATOM 512 CA SER 34 -11.888 -9.072 -22.164 1.00 31.22 ATOM 513 HA SER 34 -11.810 -9.207 -23.235 1.00 42.23 ATOM 514 CB SER 34 -11.544 -10.398 -21.467 1.00 12.24 ATOM 515 HB1 SER 34 -11.553 -10.252 -20.397 1.00 36.42 ATOM 516 HB2 SER 34 -10.560 -10.719 -21.775 1.00 35.24 ATOM 517 OG SER 34 -12.478 -11.418 -21.797 1.00 64.04 ATOM 518 HG SER 34 -12.598 -12.001 -21.038 1.00 65.23 ATOM 519 C SER 34 -13.328 -8.668 -21.817 1.00 50.00 ATOM 520 O SER 34 -13.588 -8.198 -20.711 1.00 31.15 ATOM 521 N PRO 35 -14.284 -8.837 -22.755 1.00 72.43 ATOM 522 CA PRO 35 -15.700 -8.498 -22.513 1.00 24.13 ATOM 523 HA PRO 35 -15.829 -7.430 -22.393 1.00 14.22 ATOM 524 CB PRO 35 -16.406 -8.957 -23.802 1.00 44.05 ATOM 525 HB1 PRO 35 -17.195 -8.261 -24.053 1.00 36.42 ATOM 526 HB2 PRO 35 -16.825 -9.945 -23.659 1.00 63.23 ATOM 527 CG PRO 35 -15.333 -8.965 -24.840 1.00 43.14 ATOM 528 HG1 PRO 35 -15.228 -7.978 -25.270 1.00 36.42 ATOM 529 HG2 PRO 35 -15.569 -9.687 -25.610 1.00 44.21 ATOM 530 CD PRO 35 -14.070 -9.358 -24.119 1.00 0.40 ATOM 531 HD1 PRO 35 -13.209 -8.894 -24.579 1.00 36.42 ATOM 532 HD2 PRO 35 -13.958 -10.434 -24.106 1.00 70.32 ATOM 533 C PRO 35 -16.284 -9.218 -21.284 1.00 65.11 ATOM 534 O PRO 35 -16.515 -10.431 -21.307 1.00 74.13 ATOM 535 N LEU 36 -16.507 -8.466 -20.208 1.00 11.03 ATOM 536 HN LEU 36 -16.317 -7.504 -20.252 1.00 36.42 ATOM 537 CA LEU 36 -17.036 -9.032 -18.962 1.00 74.24 ATOM 538 HA LEU 36 -16.535 -9.975 -18.785 1.00 12.33 ATOM 539 CB LEU 36 -16.750 -8.086 -17.785 1.00 35.21 ATOM 540 HB1 LEU 36 -17.250 -7.147 -17.980 1.00 36.42 ATOM 541 HB2 LEU 36 -15.683 -7.903 -17.750 1.00 61.43 ATOM 542 CG LEU 36 -17.199 -8.592 -16.402 1.00 23.04 ATOM 543 HG LEU 36 -18.226 -8.927 -16.470 1.00 34.01 ATOM 544 CD1 LEU 36 -16.353 -9.783 -15.956 1.00 33.43 ATOM 545 HD11 LEU 36 -16.466 -10.591 -16.665 1.00 45.13 ATOM 546 HD12 LEU 36 -16.682 -10.115 -14.981 1.00 10.51 ATOM 547 HD13 LEU 36 -15.314 -9.494 -15.905 1.00 12.40 ATOM 548 CD2 LEU 36 -17.143 -7.468 -15.372 1.00 44.11 ATOM 549 HD21 LEU 36 -17.435 -7.849 -14.405 1.00 61.13 ATOM 550 HD22 LEU 36 -17.820 -6.678 -15.664 1.00 12.23 ATOM 551 HD23 LEU 36 -16.136 -7.077 -15.316 1.00 52.00 ATOM 552 C LEU 36 -18.547 -9.284 -19.070 1.00 52.43 ATOM 553 O LEU 36 -19.018 -10.408 -18.872 1.00 63.14 ATOM 554 N THR 37 -19.298 -8.228 -19.382 1.00 43.34 ATOM 555 HN THR 37 -18.858 -7.364 -19.544 1.00 36.42 ATOM 556 CA THR 37 -20.762 -8.310 -19.508 1.00 5.14 ATOM 557 HA THR 37 -21.058 -9.339 -19.350 1.00 53.42 ATOM 558 CB THR 37 -21.480 -7.429 -18.454 1.00 31.23 ATOM 559 HB THR 37 -22.545 -7.609 -18.523 1.00 31.12 ATOM 560 OG1 THR 37 -21.228 -6.038 -18.713 1.00 62.14 ATOM 561 HG1 THR 37 -22.062 -5.554 -18.680 1.00 72.02 ATOM 562 CG2 THR 37 -21.023 -7.771 -17.039 1.00 61.35 ATOM 563 HG21 THR 37 -19.961 -7.588 -16.948 1.00 44.33 ATOM 564 HG22 THR 37 -21.226 -8.812 -16.834 1.00 51.40 ATOM 565 HG23 THR 37 -21.556 -7.156 -16.329 1.00 14.25 ATOM 566 C THR 37 -21.230 -7.866 -20.900 1.00 24.32 ATOM 567 O THR 37 -20.484 -7.222 -21.640 1.00 22.11 ATOM 568 N SER 38 -22.469 -8.205 -21.252 1.00 43.55 ATOM 569 HN SER 38 -23.010 -8.745 -20.636 1.00 36.42 ATOM 570 CA SER 38 -23.047 -7.791 -22.542 1.00 3.44 ATOM 571 HA SER 38 -22.233 -7.662 -23.242 1.00 60.51 ATOM 572 CB SER 38 -23.995 -8.870 -23.082 1.00 5.35 ATOM 573 HB1 SER 38 -24.840 -8.972 -22.417 1.00 36.42 ATOM 574 HB2 SER 38 -23.469 -9.812 -23.142 1.00 0.10 ATOM 575 OG SER 38 -24.472 -8.530 -24.378 1.00 33.45 ATOM 576 HG SER 38 -24.792 -9.328 -24.823 1.00 4.43 ATOM 577 C SER 38 -23.799 -6.457 -22.414 1.00 20.31 ATOM 578 O SER 38 -24.041 -5.972 -21.308 1.00 41.41 ATOM 579 N TYR 39 -24.163 -5.863 -23.550 1.00 53.42 ATOM 580 HN TYR 39 -23.955 -6.299 -24.404 1.00 36.42 ATOM 581 CA TYR 39 -24.879 -4.580 -23.558 1.00 41.51 ATOM 582 HA TYR 39 -24.355 -3.917 -22.882 1.00 25.00 ATOM 583 CB TYR 39 -24.862 -3.957 -24.962 1.00 30.33 ATOM 584 HB1 TYR 39 -25.636 -3.205 -25.025 1.00 36.42 ATOM 585 HB2 TYR 39 -25.061 -4.726 -25.692 1.00 1.45 ATOM 586 CG TYR 39 -23.545 -3.297 -25.325 1.00 72.22 ATOM 587 CD1 TYR 39 -22.711 -3.834 -26.301 1.00 15.54 ATOM 588 HD1 TYR 39 -23.007 -4.745 -26.801 1.00 64.12 ATOM 589 CD2 TYR 39 -23.143 -2.125 -24.693 1.00 22.25 ATOM 590 HD2 TYR 39 -23.777 -1.693 -23.932 1.00 10.33 ATOM 591 CE1 TYR 39 -21.517 -3.224 -26.632 1.00 51.14 ATOM 592 HE1 TYR 39 -20.882 -3.656 -27.394 1.00 71.42 ATOM 593 CE2 TYR 39 -21.951 -1.512 -25.018 1.00 31.44 ATOM 594 HE2 TYR 39 -21.655 -0.601 -24.513 1.00 53.33 ATOM 595 CZ TYR 39 -21.142 -2.062 -25.990 1.00 32.31 ATOM 596 OH TYR 39 -19.951 -1.452 -26.310 1.00 23.20 ATOM 597 HH TYR 39 -19.939 -1.227 -27.249 1.00 33.33 ATOM 598 C TYR 39 -26.327 -4.724 -23.065 1.00 32.14 ATOM 599 O TYR 39 -27.191 -5.249 -23.768 1.00 24.41 ATOM 600 N PHE 40 -26.583 -4.252 -21.848 1.00 60.21 ATOM 601 HN PHE 40 -25.838 -3.908 -21.307 1.00 36.42 ATOM 602 CA PHE 40 -27.936 -4.257 -21.282 1.00 32.21 ATOM 603 HA PHE 40 -28.435 -5.154 -21.622 1.00 73.14 ATOM 604 CB PHE 40 -27.869 -4.278 -19.750 1.00 22.02 ATOM 605 HB1 PHE 40 -28.868 -4.399 -19.354 1.00 36.42 ATOM 606 HB2 PHE 40 -27.463 -3.338 -19.399 1.00 71.23 ATOM 607 CG PHE 40 -27.013 -5.394 -19.201 1.00 61.04 ATOM 608 CD1 PHE 40 -27.419 -6.718 -19.309 1.00 3.22 ATOM 609 HD1 PHE 40 -28.361 -6.948 -19.790 1.00 54.35 ATOM 610 CD2 PHE 40 -25.800 -5.119 -18.580 1.00 51.31 ATOM 611 HD2 PHE 40 -25.472 -4.093 -18.489 1.00 33.32 ATOM 612 CE1 PHE 40 -26.633 -7.741 -18.810 1.00 14.20 ATOM 613 HE1 PHE 40 -26.959 -8.768 -18.899 1.00 64.43 ATOM 614 CE2 PHE 40 -25.014 -6.138 -18.080 1.00 31.11 ATOM 615 HE2 PHE 40 -24.074 -5.908 -17.599 1.00 61.13 ATOM 616 CZ PHE 40 -25.430 -7.450 -18.194 1.00 24.32 ATOM 617 HZ PHE 40 -24.816 -8.248 -17.804 1.00 40.14 ATOM 618 C PHE 40 -28.736 -3.030 -21.762 1.00 72.54 ATOM 619 O PHE 40 -28.426 -1.894 -21.398 1.00 22.00 ATOM 620 N PHE 41 -29.760 -3.270 -22.583 1.00 24.20 ATOM 621 HN PHE 41 -29.985 -4.198 -22.797 1.00 36.42 ATOM 622 CA PHE 41 -30.555 -2.186 -23.185 1.00 43.10 ATOM 623 HA PHE 41 -29.871 -1.391 -23.447 1.00 4.55 ATOM 624 CB PHE 41 -31.241 -2.678 -24.470 1.00 33.43 ATOM 625 HB1 PHE 41 -31.916 -1.911 -24.827 1.00 36.42 ATOM 626 HB2 PHE 41 -31.810 -3.569 -24.246 1.00 61.05 ATOM 627 CG PHE 41 -30.279 -3.009 -25.589 1.00 41.14 ATOM 628 CD1 PHE 41 -29.672 -4.256 -25.659 1.00 1.04 ATOM 629 HD1 PHE 41 -29.893 -4.996 -24.904 1.00 31.12 ATOM 630 CD2 PHE 41 -29.982 -2.072 -26.571 1.00 13.32 ATOM 631 HD2 PHE 41 -30.447 -1.098 -26.533 1.00 75.24 ATOM 632 CE1 PHE 41 -28.790 -4.559 -26.681 1.00 13.54 ATOM 633 HE1 PHE 41 -28.324 -5.534 -26.723 1.00 5.14 ATOM 634 CE2 PHE 41 -29.101 -2.371 -27.594 1.00 71.52 ATOM 635 HE2 PHE 41 -28.878 -1.632 -28.350 1.00 31.52 ATOM 636 CZ PHE 41 -28.504 -3.615 -27.649 1.00 31.44 ATOM 637 HZ PHE 41 -27.815 -3.850 -28.447 1.00 74.23 ATOM 638 C PHE 41 -31.611 -1.616 -22.219 1.00 14.11 ATOM 639 O PHE 41 -32.470 -2.336 -21.710 1.00 14.13 ATOM 640 N TRP 42 -31.540 -0.308 -21.998 1.00 24.31 ATOM 641 HN TRP 42 -30.811 0.196 -22.420 1.00 36.42 ATOM 642 CA TRP 42 -32.495 0.423 -21.154 1.00 52.43 ATOM 643 HA TRP 42 -33.239 -0.283 -20.808 1.00 12.45 ATOM 644 CB TRP 42 -31.739 0.997 -19.927 1.00 53.54 ATOM 645 HB1 TRP 42 -30.679 1.006 -20.146 1.00 36.42 ATOM 646 HB2 TRP 42 -31.907 0.344 -19.083 1.00 41.24 ATOM 647 CG TRP 42 -32.126 2.389 -19.500 1.00 11.02 ATOM 648 CD1 TRP 42 -31.631 3.558 -20.001 1.00 73.13 ATOM 649 HD1 TRP 42 -30.900 3.616 -20.792 1.00 24.02 ATOM 650 CD2 TRP 42 -33.055 2.761 -18.468 1.00 15.32 ATOM 651 NE1 TRP 42 -32.200 4.627 -19.364 1.00 41.21 ATOM 652 HE1 TRP 42 -32.007 5.569 -19.557 1.00 52.32 ATOM 653 CE2 TRP 42 -33.080 4.168 -18.421 1.00 24.33 ATOM 654 CE3 TRP 42 -33.877 2.045 -17.588 1.00 44.43 ATOM 655 HE3 TRP 42 -33.891 0.963 -17.589 1.00 11.43 ATOM 656 CZ2 TRP 42 -33.883 4.873 -17.528 1.00 3.23 ATOM 657 HZ2 TRP 42 -33.894 5.953 -17.499 1.00 25.12 ATOM 658 CZ3 TRP 42 -34.675 2.747 -16.701 1.00 15.32 ATOM 659 HZ3 TRP 42 -35.314 2.211 -16.012 1.00 10.52 ATOM 660 CH2 TRP 42 -34.675 4.148 -16.680 1.00 61.31 ATOM 661 HH2 TRP 42 -35.312 4.655 -15.971 1.00 55.54 ATOM 662 C TRP 42 -33.206 1.521 -21.984 1.00 1.25 ATOM 663 O TRP 42 -32.594 2.125 -22.868 1.00 44.42 ATOM 664 N PRO 43 -34.515 1.792 -21.736 1.00 51.31 ATOM 665 CA PRO 43 -35.317 1.153 -20.673 1.00 3.24 ATOM 666 HA PRO 43 -34.732 0.991 -19.777 1.00 34.44 ATOM 667 CB PRO 43 -36.378 2.224 -20.398 1.00 13.30 ATOM 668 HB1 PRO 43 -35.990 2.949 -19.695 1.00 36.42 ATOM 669 HB2 PRO 43 -37.270 1.765 -19.993 1.00 14.22 ATOM 670 CG PRO 43 -36.630 2.842 -21.734 1.00 3.32 ATOM 671 HG1 PRO 43 -36.944 3.870 -21.610 1.00 36.42 ATOM 672 HG2 PRO 43 -37.391 2.282 -22.260 1.00 41.23 ATOM 673 CD PRO 43 -35.318 2.781 -22.488 1.00 24.22 ATOM 674 HD1 PRO 43 -34.836 3.749 -22.485 1.00 36.42 ATOM 675 HD2 PRO 43 -35.482 2.448 -23.503 1.00 54.12 ATOM 676 C PRO 43 -35.983 -0.174 -21.089 1.00 43.20 ATOM 677 O PRO 43 -36.950 -0.609 -20.463 1.00 43.14 ATOM 678 N ARG 44 -35.465 -0.815 -22.139 1.00 72.51 ATOM 679 HN ARG 44 -34.738 -0.394 -22.640 1.00 36.42 ATOM 680 CA ARG 44 -35.967 -2.132 -22.569 1.00 72.12 ATOM 681 HA ARG 44 -36.998 -2.009 -22.866 1.00 1.25 ATOM 682 CB ARG 44 -35.161 -2.638 -23.774 1.00 13.13 ATOM 683 HB1 ARG 44 -35.383 -3.685 -23.929 1.00 36.42 ATOM 684 HB2 ARG 44 -34.106 -2.535 -23.558 1.00 1.24 ATOM 685 CG ARG 44 -35.458 -1.893 -25.070 1.00 12.24 ATOM 686 HG1 ARG 44 -34.786 -2.245 -25.840 1.00 36.42 ATOM 687 HG2 ARG 44 -35.303 -0.834 -24.913 1.00 32.32 ATOM 688 CD ARG 44 -36.897 -2.122 -25.525 1.00 11.51 ATOM 689 HD1 ARG 44 -37.567 -1.740 -24.767 1.00 36.42 ATOM 690 HD2 ARG 44 -37.059 -3.185 -25.642 1.00 63.44 ATOM 691 NE ARG 44 -37.186 -1.458 -26.790 1.00 33.42 ATOM 692 HE ARG 44 -36.658 -0.668 -27.019 1.00 61.41 ATOM 693 CZ ARG 44 -38.110 -1.843 -27.627 1.00 42.32 ATOM 694 NH1 ARG 44 -38.843 -2.880 -27.371 1.00 14.41 ATOM 695 HH11 ARG 44 -38.707 -3.390 -26.528 1.00 35.03 ATOM 696 HH12 ARG 44 -39.554 -3.159 -28.014 1.00 41.32 ATOM 697 NH2 ARG 44 -38.292 -1.184 -28.723 1.00 1.42 ATOM 698 HH21 ARG 44 -37.729 -0.385 -28.919 1.00 4.02 ATOM 699 HH22 ARG 44 -38.989 -1.480 -29.374 1.00 61.21 ATOM 700 C ARG 44 -35.905 -3.160 -21.427 1.00 4.22 ATOM 701 O ARG 44 -36.776 -4.025 -21.297 1.00 63.22 ATOM 702 N ALA 45 -34.863 -3.064 -20.616 1.00 63.30 ATOM 703 HN ALA 45 -34.171 -2.398 -20.815 1.00 36.42 ATOM 704 CA ALA 45 -34.702 -3.913 -19.438 1.00 50.44 ATOM 705 HA ALA 45 -35.686 -4.160 -19.060 1.00 61.13 ATOM 706 CB ALA 45 -33.992 -5.211 -19.813 1.00 13.03 ATOM 707 HB1 ALA 45 -33.012 -4.987 -20.209 1.00 23.32 ATOM 708 HB2 ALA 45 -34.571 -5.735 -20.560 1.00 32.33 ATOM 709 HB3 ALA 45 -33.891 -5.834 -18.935 1.00 14.20 ATOM 710 C ALA 45 -33.926 -3.170 -18.346 1.00 41.24 ATOM 711 O ALA 45 -33.328 -2.121 -18.601 1.00 3.55 ATOM 712 N ASP 46 -33.938 -3.706 -17.130 1.00 32.04 ATOM 713 HN ASP 46 -34.456 -4.524 -16.973 1.00 36.42 ATOM 714 CA ASP 46 -33.205 -3.101 -16.019 1.00 41.32 ATOM 715 HA ASP 46 -33.450 -2.046 -16.005 1.00 54.05 ATOM 716 CB ASP 46 -33.653 -3.724 -14.694 1.00 3.44 ATOM 717 HB1 ASP 46 -33.004 -3.382 -13.899 1.00 36.42 ATOM 718 HB2 ASP 46 -33.591 -4.802 -14.765 1.00 1.05 ATOM 719 CG ASP 46 -35.078 -3.342 -14.353 1.00 11.21 ATOM 720 OD1 ASP 46 -35.269 -2.443 -13.510 1.00 12.33 ATOM 721 OD2 ASP 46 -36.015 -3.912 -14.952 1.00 2.52 ATOM 722 C ASP 46 -31.688 -3.242 -16.215 1.00 53.23 ATOM 723 O ASP 46 -31.062 -4.178 -15.717 1.00 21.14 ATOM 724 N ALA 47 -31.117 -2.314 -16.980 1.00 13.24 ATOM 725 HN ALA 47 -31.680 -1.596 -17.344 1.00 36.42 ATOM 726 CA ALA 47 -29.690 -2.336 -17.317 1.00 51.34 ATOM 727 HA ALA 47 -29.498 -3.246 -17.867 1.00 41.32 ATOM 728 CB ALA 47 -29.353 -1.158 -18.226 1.00 2.51 ATOM 729 HB1 ALA 47 -29.526 -0.231 -17.697 1.00 31.13 ATOM 730 HB2 ALA 47 -29.979 -1.190 -19.106 1.00 22.32 ATOM 731 HB3 ALA 47 -28.316 -1.215 -18.523 1.00 42.32 ATOM 732 C ALA 47 -28.794 -2.316 -16.069 1.00 44.12 ATOM 733 O ALA 47 -27.913 -3.161 -15.913 1.00 10.33 ATOM 734 N TRP 48 -29.031 -1.352 -15.182 1.00 11.14 ATOM 735 HN TRP 48 -29.773 -0.732 -15.338 1.00 36.42 ATOM 736 CA TRP 48 -28.211 -1.196 -13.975 1.00 31.44 ATOM 737 HA TRP 48 -27.177 -1.145 -14.289 1.00 43.32 ATOM 738 CB TRP 48 -28.575 0.109 -13.251 1.00 30.13 ATOM 739 HB1 TRP 48 -29.543 -0.004 -12.782 1.00 36.42 ATOM 740 HB2 TRP 48 -28.625 0.912 -13.973 1.00 34.40 ATOM 741 CG TRP 48 -27.587 0.503 -12.190 1.00 44.33 ATOM 742 CD1 TRP 48 -26.371 1.093 -12.387 1.00 11.24 ATOM 743 HD1 TRP 48 -25.969 1.348 -13.357 1.00 75.13 ATOM 744 CD2 TRP 48 -27.730 0.343 -10.772 1.00 34.22 ATOM 745 NE1 TRP 48 -25.749 1.306 -11.183 1.00 65.32 ATOM 746 HE1 TRP 48 -24.869 1.717 -11.065 1.00 12.35 ATOM 747 CE2 TRP 48 -26.562 0.856 -10.176 1.00 71.43 ATOM 748 CE3 TRP 48 -28.732 -0.181 -9.949 1.00 62.22 ATOM 749 HE3 TRP 48 -29.644 -0.584 -10.366 1.00 21.55 ATOM 750 CZ2 TRP 48 -26.369 0.856 -8.795 1.00 54.21 ATOM 751 HZ2 TRP 48 -25.471 1.249 -8.342 1.00 44.21 ATOM 752 CZ3 TRP 48 -28.539 -0.179 -8.580 1.00 22.35 ATOM 753 HZ3 TRP 48 -29.301 -0.581 -7.928 1.00 20.20 ATOM 754 CH2 TRP 48 -27.366 0.337 -8.015 1.00 41.11 ATOM 755 HH2 TRP 48 -27.258 0.318 -6.940 1.00 52.52 ATOM 756 C TRP 48 -28.376 -2.399 -13.029 1.00 72.25 ATOM 757 O TRP 48 -27.399 -2.903 -12.470 1.00 60.31 ATOM 758 N GLN 49 -29.617 -2.857 -12.863 1.00 0.53 ATOM 759 HN GLN 49 -30.360 -2.391 -13.305 1.00 36.42 ATOM 760 CA GLN 49 -29.907 -4.027 -12.025 1.00 30.44 ATOM 761 HA GLN 49 -29.533 -3.816 -11.032 1.00 20.13 ATOM 762 CB GLN 49 -31.423 -4.256 -11.939 1.00 63.30 ATOM 763 HB1 GLN 49 -31.808 -4.392 -12.940 1.00 36.42 ATOM 764 HB2 GLN 49 -31.884 -3.380 -11.506 1.00 70.00 ATOM 765 CG GLN 49 -31.828 -5.470 -11.104 1.00 43.43 ATOM 766 HG1 GLN 49 -31.403 -6.356 -11.556 1.00 36.42 ATOM 767 HG2 GLN 49 -32.905 -5.551 -11.112 1.00 41.43 ATOM 768 CD GLN 49 -31.363 -5.397 -9.654 1.00 73.42 ATOM 769 OE1 GLN 49 -31.079 -6.413 -9.033 1.00 25.34 ATOM 770 NE2 GLN 49 -31.296 -4.205 -9.096 1.00 1.40 ATOM 771 HE21 GLN 49 -31.546 -3.424 -9.633 1.00 53.22 ATOM 772 HE22 GLN 49 -31.000 -4.149 -8.165 1.00 72.04 ATOM 773 C GLN 49 -29.205 -5.291 -12.554 1.00 53.34 ATOM 774 O GLN 49 -28.642 -6.067 -11.783 1.00 30.52 ATOM 775 N GLN 50 -29.239 -5.496 -13.870 1.00 40.54 ATOM 776 HN GLN 50 -29.742 -4.874 -14.440 1.00 36.42 ATOM 777 CA GLN 50 -28.548 -6.637 -14.487 1.00 12.04 ATOM 778 HA GLN 50 -28.840 -7.527 -13.945 1.00 40.41 ATOM 779 CB GLN 50 -28.968 -6.796 -15.955 1.00 3.23 ATOM 780 HB1 GLN 50 -28.348 -7.554 -16.416 1.00 36.42 ATOM 781 HB2 GLN 50 -28.806 -5.856 -16.467 1.00 13.33 ATOM 782 CG GLN 50 -30.429 -7.195 -16.140 1.00 24.13 ATOM 783 HG1 GLN 50 -31.056 -6.439 -15.690 1.00 36.42 ATOM 784 HG2 GLN 50 -30.599 -8.141 -15.646 1.00 73.50 ATOM 785 CD GLN 50 -30.815 -7.336 -17.602 1.00 10.50 ATOM 786 OE1 GLN 50 -30.702 -8.405 -18.189 1.00 62.30 ATOM 787 NE2 GLN 50 -31.270 -6.255 -18.200 1.00 54.33 ATOM 788 HE21 GLN 50 -31.335 -5.432 -17.676 1.00 15.22 ATOM 789 HE22 GLN 50 -31.522 -6.324 -19.141 1.00 75.12 ATOM 790 C GLN 50 -27.021 -6.487 -14.386 1.00 33.13 ATOM 791 O GLN 50 -26.310 -7.465 -14.162 1.00 14.43 ATOM 792 N LEU 51 -26.526 -5.258 -14.537 1.00 30.44 ATOM 793 HN LEU 51 -27.138 -4.518 -14.733 1.00 36.42 ATOM 794 CA LEU 51 -25.088 -4.989 -14.428 1.00 54.22 ATOM 795 HA LEU 51 -24.583 -5.627 -15.142 1.00 31.43 ATOM 796 CB LEU 51 -24.786 -3.524 -14.779 1.00 2.34 ATOM 797 HB1 LEU 51 -25.289 -2.894 -14.061 1.00 36.42 ATOM 798 HB2 LEU 51 -25.196 -3.319 -15.760 1.00 64.54 ATOM 799 CG LEU 51 -23.294 -3.149 -14.788 1.00 14.13 ATOM 800 HG LEU 51 -22.887 -3.307 -13.799 1.00 75.41 ATOM 801 CD1 LEU 51 -22.518 -4.041 -15.756 1.00 3.32 ATOM 802 HD11 LEU 51 -21.473 -3.769 -15.737 1.00 41.35 ATOM 803 HD12 LEU 51 -22.905 -3.915 -16.757 1.00 34.41 ATOM 804 HD13 LEU 51 -22.625 -5.074 -15.457 1.00 44.34 ATOM 805 CD2 LEU 51 -23.107 -1.674 -15.141 1.00 34.23 ATOM 806 HD21 LEU 51 -23.591 -1.060 -14.395 1.00 11.23 ATOM 807 HD22 LEU 51 -23.544 -1.472 -16.109 1.00 73.04 ATOM 808 HD23 LEU 51 -22.051 -1.439 -15.168 1.00 14.45 ATOM 809 C LEU 51 -24.561 -5.322 -13.021 1.00 33.42 ATOM 810 O LEU 51 -23.598 -6.079 -12.873 1.00 3.12 ATOM 811 N LYS 52 -25.200 -4.766 -11.987 1.00 23.44 ATOM 812 HN LYS 52 -25.944 -4.148 -12.159 1.00 36.42 ATOM 813 CA LYS 52 -24.810 -5.058 -10.600 1.00 63.45 ATOM 814 HA LYS 52 -23.765 -4.793 -10.495 1.00 60.33 ATOM 815 CB LYS 52 -25.633 -4.220 -9.603 1.00 71.32 ATOM 816 HB1 LYS 52 -25.521 -3.175 -9.856 1.00 36.42 ATOM 817 HB2 LYS 52 -25.241 -4.382 -8.608 1.00 40.22 ATOM 818 CG LYS 52 -27.122 -4.551 -9.585 1.00 23.14 ATOM 819 HG1 LYS 52 -27.246 -5.580 -9.273 1.00 36.42 ATOM 820 HG2 LYS 52 -27.518 -4.430 -10.584 1.00 24.12 ATOM 821 CD LYS 52 -27.906 -3.645 -8.635 1.00 54.45 ATOM 822 HD1 LYS 52 -28.958 -3.873 -8.729 1.00 36.42 ATOM 823 HD2 LYS 52 -27.738 -2.616 -8.918 1.00 62.32 ATOM 824 CE LYS 52 -27.491 -3.825 -7.177 1.00 32.43 ATOM 825 HE1 LYS 52 -28.023 -3.103 -6.574 1.00 36.42 ATOM 826 HE2 LYS 52 -26.428 -3.647 -7.091 1.00 62.24 ATOM 827 NZ LYS 52 -27.799 -5.190 -6.675 1.00 72.51 ATOM 828 HZ1 LYS 52 -27.247 -5.902 -7.197 1.00 15.34 ATOM 829 HZ2 LYS 52 -28.809 -5.401 -6.798 1.00 44.33 ATOM 830 HZ3 LYS 52 -27.565 -5.262 -5.665 1.00 20.22 ATOM 831 C LYS 52 -24.968 -6.555 -10.295 1.00 74.23 ATOM 832 O LYS 52 -24.142 -7.146 -9.604 1.00 30.42 ATOM 833 N ASP 53 -26.026 -7.162 -10.836 1.00 21.22 ATOM 834 HN ASP 53 -26.662 -6.628 -11.358 1.00 36.42 ATOM 835 CA ASP 53 -26.278 -8.595 -10.666 1.00 0.14 ATOM 836 HA ASP 53 -26.396 -8.785 -9.607 1.00 20.32 ATOM 837 CB ASP 53 -27.574 -8.978 -11.386 1.00 44.03 ATOM 838 HB1 ASP 53 -27.488 -8.715 -12.431 1.00 36.42 ATOM 839 HB2 ASP 53 -28.396 -8.428 -10.950 1.00 43.41 ATOM 840 CG ASP 53 -27.884 -10.459 -11.284 1.00 20.13 ATOM 841 OD1 ASP 53 -28.170 -10.935 -10.166 1.00 0.34 ATOM 842 OD2 ASP 53 -27.863 -11.150 -12.319 1.00 4.10 ATOM 843 C ASP 53 -25.102 -9.440 -11.188 1.00 23.15 ATOM 844 O ASP 53 -24.621 -10.340 -10.496 1.00 14.22 ATOM 845 N GLU 54 -24.641 -9.136 -12.404 1.00 61.55 ATOM 846 HN GLU 54 -25.105 -8.447 -12.928 1.00 36.42 ATOM 847 CA GLU 54 -23.465 -9.804 -12.986 1.00 20.12 ATOM 848 HA GLU 54 -23.696 -10.856 -13.084 1.00 65.12 ATOM 849 CB GLU 54 -23.161 -9.225 -14.380 1.00 72.23 ATOM 850 HB1 GLU 54 -22.186 -9.574 -14.696 1.00 36.42 ATOM 851 HB2 GLU 54 -23.135 -8.147 -14.308 1.00 74.34 ATOM 852 CG GLU 54 -24.175 -9.605 -15.458 1.00 35.33 ATOM 853 HG1 GLU 54 -23.984 -9.008 -16.341 1.00 36.42 ATOM 854 HG2 GLU 54 -25.168 -9.389 -15.092 1.00 3.35 ATOM 855 CD GLU 54 -24.103 -11.075 -15.843 1.00 64.43 ATOM 856 OE1 GLU 54 -25.107 -11.798 -15.671 1.00 24.12 ATOM 857 OE2 GLU 54 -23.034 -11.518 -16.319 1.00 22.10 ATOM 858 C GLU 54 -22.232 -9.645 -12.081 1.00 11.22 ATOM 859 O GLU 54 -21.531 -10.612 -11.786 1.00 25.20 ATOM 860 N LEU 55 -21.991 -8.415 -11.634 1.00 23.15 ATOM 861 HN LEU 55 -22.614 -7.694 -11.877 1.00 36.42 ATOM 862 CA LEU 55 -20.832 -8.096 -10.791 1.00 4.23 ATOM 863 HA LEU 55 -19.945 -8.420 -11.317 1.00 43.33 ATOM 864 CB LEU 55 -20.754 -6.577 -10.581 1.00 21.03 ATOM 865 HB1 LEU 55 -19.909 -6.364 -9.939 1.00 36.42 ATOM 866 HB2 LEU 55 -21.657 -6.258 -10.077 1.00 10.14 ATOM 867 CG LEU 55 -20.600 -5.749 -11.870 1.00 30.21 ATOM 868 HG LEU 55 -21.395 -6.013 -12.555 1.00 52.23 ATOM 869 CD1 LEU 55 -20.721 -4.255 -11.577 1.00 34.14 ATOM 870 HD11 LEU 55 -21.690 -4.051 -11.142 1.00 44.14 ATOM 871 HD12 LEU 55 -20.618 -3.697 -12.496 1.00 24.44 ATOM 872 HD13 LEU 55 -19.947 -3.956 -10.886 1.00 3.11 ATOM 873 CD2 LEU 55 -19.270 -6.061 -12.554 1.00 51.43 ATOM 874 HD21 LEU 55 -18.453 -5.813 -11.891 1.00 31.42 ATOM 875 HD22 LEU 55 -19.184 -5.482 -13.463 1.00 50.53 ATOM 876 HD23 LEU 55 -19.228 -7.113 -12.797 1.00 72.51 ATOM 877 C LEU 55 -20.893 -8.822 -9.434 1.00 42.22 ATOM 878 O LEU 55 -19.881 -9.321 -8.939 1.00 61.21 ATOM 879 N GLU 56 -22.083 -8.874 -8.838 1.00 52.32 ATOM 880 HN GLU 56 -22.849 -8.442 -9.272 1.00 36.42 ATOM 881 CA GLU 56 -22.281 -9.552 -7.548 1.00 24.50 ATOM 882 HA GLU 56 -21.448 -9.291 -6.910 1.00 54.02 ATOM 883 CB GLU 56 -23.578 -9.063 -6.886 1.00 44.43 ATOM 884 HB1 GLU 56 -23.713 -9.585 -5.948 1.00 36.42 ATOM 885 HB2 GLU 56 -24.411 -9.290 -7.537 1.00 62.01 ATOM 886 CG GLU 56 -23.585 -7.564 -6.604 1.00 60.23 ATOM 887 HG1 GLU 56 -23.447 -7.036 -7.538 1.00 36.42 ATOM 888 HG2 GLU 56 -22.762 -7.335 -5.943 1.00 2.15 ATOM 889 CD GLU 56 -24.874 -7.084 -5.961 1.00 72.45 ATOM 890 OE1 GLU 56 -25.892 -6.980 -6.671 1.00 52.13 ATOM 891 OE2 GLU 56 -24.875 -6.803 -4.743 1.00 62.44 ATOM 892 C GLU 56 -22.308 -11.080 -7.711 1.00 2.24 ATOM 893 O GLU 56 -21.994 -11.821 -6.775 1.00 40.42 ATOM 894 N ALA 57 -22.698 -11.548 -8.897 1.00 14.35 ATOM 895 HN ALA 57 -23.021 -10.915 -9.575 1.00 36.42 ATOM 896 CA ALA 57 -22.661 -12.979 -9.220 1.00 42.14 ATOM 897 HA ALA 57 -23.131 -13.520 -8.409 1.00 53.40 ATOM 898 CB ALA 57 -23.447 -13.254 -10.497 1.00 34.32 ATOM 899 HB1 ALA 57 -24.478 -12.968 -10.355 1.00 55.03 ATOM 900 HB2 ALA 57 -23.394 -14.306 -10.737 1.00 75.41 ATOM 901 HB3 ALA 57 -23.024 -12.679 -11.310 1.00 33.31 ATOM 902 C ALA 57 -21.213 -13.462 -9.372 1.00 11.31 ATOM 903 O ALA 57 -20.852 -14.555 -8.926 1.00 64.31 ATOM 904 N LYS 58 -20.390 -12.635 -10.013 1.00 50.11 ATOM 905 HN LYS 58 -20.758 -11.812 -10.404 1.00 36.42 ATOM 906 CA LYS 58 -18.960 -12.910 -10.158 1.00 23.25 ATOM 907 HA LYS 58 -18.831 -13.976 -10.293 1.00 53.21 ATOM 908 CB LYS 58 -18.408 -12.176 -11.391 1.00 4.22 ATOM 909 HB1 LYS 58 -17.376 -12.466 -11.535 1.00 36.42 ATOM 910 HB2 LYS 58 -18.448 -11.110 -11.206 1.00 61.31 ATOM 911 CG LYS 58 -19.171 -12.462 -12.684 1.00 34.02 ATOM 912 HG1 LYS 58 -20.227 -12.312 -12.506 1.00 36.42 ATOM 913 HG2 LYS 58 -18.997 -13.488 -12.976 1.00 32.32 ATOM 914 CD LYS 58 -18.725 -11.542 -13.821 1.00 14.31 ATOM 915 HD1 LYS 58 -17.682 -11.731 -14.041 1.00 36.42 ATOM 916 HD2 LYS 58 -18.844 -10.516 -13.504 1.00 45.20 ATOM 917 CE LYS 58 -19.549 -11.759 -15.089 1.00 33.40 ATOM 918 HE1 LYS 58 -19.202 -11.071 -15.848 1.00 36.42 ATOM 919 HE2 LYS 58 -20.587 -11.556 -14.871 1.00 14.04 ATOM 920 NZ LYS 58 -19.432 -13.148 -15.608 1.00 53.22 ATOM 921 HZ1 LYS 58 -19.755 -13.828 -14.891 1.00 23.23 ATOM 922 HZ2 LYS 58 -18.441 -13.360 -15.848 1.00 33.20 ATOM 923 HZ3 LYS 58 -20.015 -13.262 -16.462 1.00 54.14 ATOM 924 C LYS 58 -18.201 -12.466 -8.892 1.00 3.21 ATOM 925 O LYS 58 -17.728 -11.335 -8.801 1.00 31.43 ATOM 926 N HIS 59 -18.082 -13.369 -7.919 1.00 43.24 ATOM 927 HN HIS 59 -18.372 -14.290 -8.091 1.00 36.42 ATOM 928 CA HIS 59 -17.530 -13.024 -6.596 1.00 22.44 ATOM 929 HA HIS 59 -18.062 -12.147 -6.251 1.00 14.23 ATOM 930 CB HIS 59 -17.789 -14.164 -5.600 1.00 42.22 ATOM 931 HB1 HIS 59 -17.294 -13.939 -4.666 1.00 36.42 ATOM 932 HB2 HIS 59 -17.385 -15.082 -6.002 1.00 73.03 ATOM 933 CG HIS 59 -19.245 -14.391 -5.308 1.00 73.22 ATOM 934 ND1 HIS 59 -19.896 -13.833 -4.227 1.00 33.31 ATOM 935 HD1 HIS 59 -19.491 -13.251 -3.548 1.00 30.22 ATOM 936 CD2 HIS 59 -20.179 -15.124 -5.962 1.00 3.54 ATOM 937 HD2 HIS 59 -20.023 -15.703 -6.862 1.00 25.21 ATOM 938 CE1 HIS 59 -21.159 -14.211 -4.230 1.00 50.03 ATOM 939 HE1 HIS 59 -21.906 -13.925 -3.503 1.00 64.43 ATOM 940 NE2 HIS 59 -21.357 -14.994 -5.270 1.00 42.43 ATOM 941 HE2 HIS 59 -22.163 -15.543 -5.413 1.00 36.42 ATOM 942 C HIS 59 -16.025 -12.676 -6.632 1.00 34.44 ATOM 943 O HIS 59 -15.444 -12.323 -5.606 1.00 64.45 ATOM 944 N TRP 60 -15.397 -12.766 -7.805 1.00 73.23 ATOM 945 HN TRP 60 -15.889 -13.089 -8.586 1.00 36.42 ATOM 946 CA TRP 60 -13.979 -12.390 -7.947 1.00 2.23 ATOM 947 HA TRP 60 -13.499 -12.591 -6.998 1.00 1.41 ATOM 948 CB TRP 60 -13.286 -13.244 -9.027 1.00 0.33 ATOM 949 HB1 TRP 60 -13.304 -14.281 -8.718 1.00 36.42 ATOM 950 HB2 TRP 60 -12.258 -12.925 -9.116 1.00 44.05 ATOM 951 CG TRP 60 -13.910 -13.157 -10.393 1.00 52.54 ATOM 952 CD1 TRP 60 -14.982 -13.866 -10.858 1.00 3.42 ATOM 953 HD1 TRP 60 -15.534 -14.588 -10.274 1.00 31.01 ATOM 954 CD2 TRP 60 -13.482 -12.323 -11.476 1.00 5.04 ATOM 955 NE1 TRP 60 -15.251 -13.514 -12.158 1.00 42.13 ATOM 956 HE1 TRP 60 -15.974 -13.881 -12.710 1.00 42.14 ATOM 957 CE2 TRP 60 -14.343 -12.571 -12.561 1.00 34.14 ATOM 958 CE3 TRP 60 -12.456 -11.385 -11.633 1.00 43.11 ATOM 959 HE3 TRP 60 -11.773 -11.163 -10.826 1.00 41.22 ATOM 960 CZ2 TRP 60 -14.210 -11.919 -13.783 1.00 24.44 ATOM 961 HZ2 TRP 60 -14.874 -12.116 -14.611 1.00 13.44 ATOM 962 CZ3 TRP 60 -12.325 -10.740 -12.848 1.00 50.52 ATOM 963 HZ3 TRP 60 -11.537 -10.016 -12.991 1.00 40.44 ATOM 964 CH2 TRP 60 -13.198 -11.009 -13.908 1.00 31.41 ATOM 965 HH2 TRP 60 -13.054 -10.483 -14.841 1.00 55.51 ATOM 966 C TRP 60 -13.818 -10.883 -8.244 1.00 44.22 ATOM 967 O TRP 60 -12.700 -10.365 -8.320 1.00 13.51 ATOM 968 N ILE 61 -14.944 -10.187 -8.411 1.00 22.32 ATOM 969 HN ILE 61 -15.797 -10.669 -8.446 1.00 36.42 ATOM 970 CA ILE 61 -14.950 -8.723 -8.546 1.00 75.31 ATOM 971 HA ILE 61 -14.103 -8.438 -9.158 1.00 43.54 ATOM 972 CB ILE 61 -16.256 -8.215 -9.244 1.00 10.52 ATOM 973 HB ILE 61 -17.084 -8.793 -8.857 1.00 2.30 ATOM 974 CG1 ILE 61 -16.191 -8.408 -10.771 1.00 44.33 ATOM 975 HG11 ILE 61 -15.379 -7.814 -11.164 1.00 36.42 ATOM 976 HG12 ILE 61 -17.118 -8.069 -11.209 1.00 34.03 ATOM 977 CG2 ILE 61 -16.527 -6.743 -8.923 1.00 63.32 ATOM 978 HG21 ILE 61 -15.705 -6.138 -9.281 1.00 71.54 ATOM 979 HG22 ILE 61 -16.626 -6.617 -7.854 1.00 41.11 ATOM 980 HG23 ILE 61 -17.442 -6.430 -9.405 1.00 20.44 ATOM 981 CD1 ILE 61 -15.975 -9.833 -11.216 1.00 5.44 ATOM 982 HD11 ILE 61 -16.742 -10.463 -10.791 1.00 63.12 ATOM 983 HD12 ILE 61 -15.005 -10.173 -10.885 1.00 35.23 ATOM 984 HD13 ILE 61 -16.026 -9.885 -12.294 1.00 33.04 ATOM 985 C ILE 61 -14.818 -8.052 -7.166 1.00 71.50 ATOM 986 O ILE 61 -15.395 -8.517 -6.179 1.00 71.14 ATOM 987 N ALA 62 -14.048 -6.970 -7.093 1.00 23.20 ATOM 988 HN ALA 62 -13.536 -6.693 -7.881 1.00 36.42 ATOM 989 CA ALA 62 -13.951 -6.180 -5.861 1.00 70.10 ATOM 990 HA ALA 62 -14.026 -6.858 -5.020 1.00 34.10 ATOM 991 CB ALA 62 -12.600 -5.478 -5.789 1.00 11.34 ATOM 992 HB1 ALA 62 -12.541 -4.900 -4.878 1.00 73.24 ATOM 993 HB2 ALA 62 -12.487 -4.822 -6.639 1.00 75.21 ATOM 994 HB3 ALA 62 -11.809 -6.215 -5.798 1.00 61.33 ATOM 995 C ALA 62 -15.100 -5.161 -5.790 1.00 1.13 ATOM 996 O ALA 62 -15.396 -4.481 -6.776 1.00 4.31 ATOM 997 N GLU 63 -15.747 -5.058 -4.626 1.00 11.12 ATOM 998 HN GLU 63 -15.419 -5.564 -3.852 1.00 36.42 ATOM 999 CA GLU 63 -16.931 -4.202 -4.474 1.00 15.24 ATOM 1000 HA GLU 63 -17.689 -4.585 -5.144 1.00 51.25 ATOM 1001 CB GLU 63 -17.476 -4.269 -3.042 1.00 60.51 ATOM 1002 HB1 GLU 63 -16.730 -3.882 -2.361 1.00 36.42 ATOM 1003 HB2 GLU 63 -17.678 -5.302 -2.793 1.00 53.33 ATOM 1004 CG GLU 63 -18.762 -3.471 -2.854 1.00 40.10 ATOM 1005 HG1 GLU 63 -19.472 -3.779 -3.611 1.00 36.42 ATOM 1006 HG2 GLU 63 -18.538 -2.422 -2.986 1.00 63.44 ATOM 1007 CD GLU 63 -19.394 -3.667 -1.486 1.00 22.31 ATOM 1008 OE1 GLU 63 -19.283 -2.760 -0.635 1.00 31.51 ATOM 1009 OE2 GLU 63 -20.012 -4.729 -1.261 1.00 42.42 ATOM 1010 C GLU 63 -16.642 -2.745 -4.867 1.00 21.21 ATOM 1011 O GLU 63 -17.420 -2.131 -5.595 1.00 40.43 ATOM 1012 N ALA 64 -15.523 -2.203 -4.401 1.00 50.14 ATOM 1013 HN ALA 64 -14.955 -2.726 -3.793 1.00 36.42 ATOM 1014 CA ALA 64 -15.120 -0.836 -4.761 1.00 1.33 ATOM 1015 HA ALA 64 -15.817 -0.151 -4.296 1.00 21.01 ATOM 1016 CB ALA 64 -13.730 -0.537 -4.218 1.00 1.42 ATOM 1017 HB1 ALA 64 -13.472 0.489 -4.433 1.00 44.33 ATOM 1018 HB2 ALA 64 -13.010 -1.194 -4.687 1.00 60.15 ATOM 1019 HB3 ALA 64 -13.718 -0.695 -3.150 1.00 13.12 ATOM 1020 C ALA 64 -15.152 -0.620 -6.284 1.00 31.32 ATOM 1021 O ALA 64 -15.686 0.380 -6.772 1.00 74.21 ATOM 1022 N ASP 65 -14.588 -1.572 -7.026 1.00 61.21 ATOM 1023 HN ASP 65 -14.159 -2.331 -6.576 1.00 36.42 ATOM 1024 CA ASP 65 -14.575 -1.519 -8.490 1.00 23.22 ATOM 1025 HA ASP 65 -14.145 -0.569 -8.779 1.00 44.23 ATOM 1026 CB ASP 65 -13.701 -2.646 -9.047 1.00 52.44 ATOM 1027 HB1 ASP 65 -13.760 -2.643 -10.127 1.00 36.42 ATOM 1028 HB2 ASP 65 -14.065 -3.594 -8.676 1.00 33.13 ATOM 1029 CG ASP 65 -12.247 -2.496 -8.642 1.00 33.43 ATOM 1030 OD1 ASP 65 -11.902 -2.843 -7.490 1.00 4.44 ATOM 1031 OD2 ASP 65 -11.435 -2.030 -9.467 1.00 22.53 ATOM 1032 C ASP 65 -15.993 -1.613 -9.078 1.00 5.03 ATOM 1033 O ASP 65 -16.347 -0.858 -9.986 1.00 63.14 ATOM 1034 N ARG 66 -16.808 -2.535 -8.557 1.00 1.44 ATOM 1035 HN ARG 66 -16.481 -3.115 -7.835 1.00 36.42 ATOM 1036 CA ARG 66 -18.178 -2.695 -9.055 1.00 3.43 ATOM 1037 HA ARG 66 -18.116 -2.850 -10.124 1.00 50.24 ATOM 1038 CB ARG 66 -18.876 -3.918 -8.418 1.00 43.31 ATOM 1039 HB1 ARG 66 -18.132 -4.680 -8.233 1.00 36.42 ATOM 1040 HB2 ARG 66 -19.598 -4.306 -9.123 1.00 43.53 ATOM 1041 CG ARG 66 -19.607 -3.637 -7.105 1.00 43.33 ATOM 1042 HG1 ARG 66 -20.366 -2.887 -7.280 1.00 36.42 ATOM 1043 HG2 ARG 66 -18.897 -3.266 -6.382 1.00 62.24 ATOM 1044 CD ARG 66 -20.272 -4.893 -6.548 1.00 22.32 ATOM 1045 HD1 ARG 66 -19.500 -5.591 -6.256 1.00 36.42 ATOM 1046 HD2 ARG 66 -20.883 -5.337 -7.321 1.00 5.23 ATOM 1047 NE ARG 66 -21.115 -4.607 -5.387 1.00 32.12 ATOM 1048 HE ARG 66 -21.396 -3.684 -5.249 1.00 70.04 ATOM 1049 CZ ARG 66 -21.534 -5.515 -4.544 1.00 14.24 ATOM 1050 NH1 ARG 66 -21.172 -6.750 -4.663 1.00 41.31 ATOM 1051 HH11 ARG 66 -20.567 -7.028 -5.407 1.00 43.43 ATOM 1052 HH12 ARG 66 -21.500 -7.425 -4.005 1.00 64.11 ATOM 1053 NH2 ARG 66 -22.315 -5.184 -3.573 1.00 25.34 ATOM 1054 HH21 ARG 66 -22.601 -4.236 -3.460 1.00 72.42 ATOM 1055 HH22 ARG 66 -22.642 -5.886 -2.942 1.00 70.33 ATOM 1056 C ARG 66 -18.989 -1.416 -8.805 1.00 72.23 ATOM 1057 O ARG 66 -19.775 -0.994 -9.646 1.00 41.15 ATOM 1058 N ILE 67 -18.773 -0.794 -7.648 1.00 14.55 ATOM 1059 HN ILE 67 -18.149 -1.191 -7.006 1.00 36.42 ATOM 1060 CA ILE 67 -19.437 0.466 -7.310 1.00 72.01 ATOM 1061 HA ILE 67 -20.502 0.322 -7.435 1.00 2.20 ATOM 1062 CB ILE 67 -19.168 0.863 -5.835 1.00 35.12 ATOM 1063 HB ILE 67 -18.097 0.912 -5.695 1.00 53.22 ATOM 1064 CG1 ILE 67 -19.743 -0.197 -4.880 1.00 53.00 ATOM 1065 HG11 ILE 67 -19.550 0.107 -3.861 1.00 36.42 ATOM 1066 HG12 ILE 67 -19.252 -1.141 -5.065 1.00 3.32 ATOM 1067 CG2 ILE 67 -19.742 2.242 -5.517 1.00 32.14 ATOM 1068 HG21 ILE 67 -20.813 2.235 -5.670 1.00 10.21 ATOM 1069 HG22 ILE 67 -19.292 2.980 -6.165 1.00 42.43 ATOM 1070 HG23 ILE 67 -19.529 2.492 -4.488 1.00 53.20 ATOM 1071 CD1 ILE 67 -21.239 -0.419 -5.025 1.00 1.23 ATOM 1072 HD11 ILE 67 -21.461 -0.752 -6.028 1.00 44.12 ATOM 1073 HD12 ILE 67 -21.764 0.505 -4.828 1.00 52.03 ATOM 1074 HD13 ILE 67 -21.560 -1.171 -4.319 1.00 73.21 ATOM 1075 C ILE 67 -18.975 1.592 -8.243 1.00 5.22 ATOM 1076 O ILE 67 -19.780 2.408 -8.690 1.00 64.51 ATOM 1077 N ASN 68 -17.678 1.615 -8.545 1.00 23.22 ATOM 1078 HN ASN 68 -17.084 0.953 -8.130 1.00 36.42 ATOM 1079 CA ASN 68 -17.106 2.601 -9.467 1.00 72.44 ATOM 1080 HA ASN 68 -17.255 3.579 -9.031 1.00 52.24 ATOM 1081 CB ASN 68 -15.597 2.353 -9.616 1.00 44.52 ATOM 1082 HB1 ASN 68 -15.437 1.341 -9.960 1.00 36.42 ATOM 1083 HB2 ASN 68 -15.124 2.477 -8.653 1.00 32.21 ATOM 1084 CG ASN 68 -14.936 3.305 -10.596 1.00 24.11 ATOM 1085 OD1 ASN 68 -14.576 4.423 -10.249 1.00 12.52 ATOM 1086 ND2 ASN 68 -14.745 2.857 -11.819 1.00 33.00 ATOM 1087 HD21 ASN 68 -15.030 1.945 -12.028 1.00 40.02 ATOM 1088 HD22 ASN 68 -14.320 3.458 -12.468 1.00 55.24 ATOM 1089 C ASN 68 -17.807 2.564 -10.838 1.00 51.23 ATOM 1090 O ASN 68 -18.303 3.588 -11.319 1.00 31.12 ATOM 1091 N VAL 69 -17.869 1.380 -11.454 1.00 21.12 ATOM 1092 HN VAL 69 -17.458 0.596 -11.029 1.00 36.42 ATOM 1093 CA VAL 69 -18.533 1.231 -12.757 1.00 73.03 ATOM 1094 HA VAL 69 -18.121 1.988 -13.413 1.00 64.43 ATOM 1095 CB VAL 69 -18.258 -0.154 -13.405 1.00 3.10 ATOM 1096 HB VAL 69 -18.767 -0.188 -14.361 1.00 14.11 ATOM 1097 CG1 VAL 69 -16.766 -0.345 -13.665 1.00 44.20 ATOM 1098 HG11 VAL 69 -16.601 -1.306 -14.133 1.00 25.14 ATOM 1099 HG12 VAL 69 -16.227 -0.305 -12.729 1.00 53.34 ATOM 1100 HG13 VAL 69 -16.409 0.437 -14.319 1.00 62.23 ATOM 1101 CG2 VAL 69 -18.802 -1.286 -12.541 1.00 22.11 ATOM 1102 HG21 VAL 69 -19.862 -1.144 -12.385 1.00 54.14 ATOM 1103 HG22 VAL 69 -18.296 -1.288 -11.586 1.00 65.24 ATOM 1104 HG23 VAL 69 -18.637 -2.232 -13.037 1.00 74.25 ATOM 1105 C VAL 69 -20.055 1.466 -12.659 1.00 10.24 ATOM 1106 O VAL 69 -20.669 1.997 -13.585 1.00 24.24 ATOM 1107 N LEU 70 -20.660 1.082 -11.533 1.00 60.10 ATOM 1108 HN LEU 70 -20.136 0.626 -10.839 1.00 36.42 ATOM 1109 CA LEU 70 -22.094 1.313 -11.314 1.00 13.42 ATOM 1110 HA LEU 70 -22.618 0.937 -12.182 1.00 53.12 ATOM 1111 CB LEU 70 -22.589 0.549 -10.076 1.00 33.42 ATOM 1112 HB1 LEU 70 -23.581 0.905 -9.829 1.00 36.42 ATOM 1113 HB2 LEU 70 -21.930 0.779 -9.250 1.00 2.44 ATOM 1114 CG LEU 70 -22.655 -0.979 -10.226 1.00 40.32 ATOM 1115 HG LEU 70 -21.669 -1.350 -10.473 1.00 41.31 ATOM 1116 CD1 LEU 70 -23.078 -1.629 -8.911 1.00 44.02 ATOM 1117 HD11 LEU 70 -24.061 -1.277 -8.632 1.00 71.52 ATOM 1118 HD12 LEU 70 -22.371 -1.366 -8.136 1.00 73.41 ATOM 1119 HD13 LEU 70 -23.098 -2.703 -9.027 1.00 32.11 ATOM 1120 CD2 LEU 70 -23.603 -1.372 -11.361 1.00 53.51 ATOM 1121 HD21 LEU 70 -23.249 -0.946 -12.290 1.00 53.43 ATOM 1122 HD22 LEU 70 -24.595 -1.002 -11.151 1.00 73.52 ATOM 1123 HD23 LEU 70 -23.632 -2.449 -11.452 1.00 14.11 ATOM 1124 C LEU 70 -22.413 2.812 -11.170 1.00 5.33 ATOM 1125 O LEU 70 -23.460 3.274 -11.628 1.00 2.41 ATOM 1126 N ASN 71 -21.512 3.566 -10.535 1.00 14.34 ATOM 1127 HN ASN 71 -20.707 3.141 -10.168 1.00 36.42 ATOM 1128 CA ASN 71 -21.697 5.014 -10.366 1.00 65.43 ATOM 1129 HA ASN 71 -22.667 5.170 -9.912 1.00 55.31 ATOM 1130 CB ASN 71 -20.618 5.595 -9.438 1.00 5.45 ATOM 1131 HB1 ASN 71 -20.650 6.675 -9.489 1.00 36.42 ATOM 1132 HB2 ASN 71 -19.646 5.256 -9.770 1.00 62.44 ATOM 1133 CG ASN 71 -20.801 5.179 -7.988 1.00 51.31 ATOM 1134 OD1 ASN 71 -21.915 4.963 -7.525 1.00 21.23 ATOM 1135 ND2 ASN 71 -19.712 5.080 -7.253 1.00 21.22 ATOM 1136 HD21 ASN 71 -18.849 5.278 -7.673 1.00 75.50 ATOM 1137 HD22 ASN 71 -19.812 4.814 -6.317 1.00 74.32 ATOM 1138 C ASN 71 -21.668 5.741 -11.719 1.00 22.14 ATOM 1139 O ASN 71 -22.603 6.468 -12.064 1.00 61.42 ATOM 1140 N GLN 72 -20.605 5.522 -12.493 1.00 25.15 ATOM 1141 HN GLN 72 -19.891 4.931 -12.169 1.00 36.42 ATOM 1142 CA GLN 72 -20.472 6.150 -13.813 1.00 21.44 ATOM 1143 HA GLN 72 -20.564 7.219 -13.670 1.00 53.33 ATOM 1144 CB GLN 72 -19.086 5.856 -14.413 1.00 43.30 ATOM 1145 HB1 GLN 72 -18.334 6.312 -13.785 1.00 36.42 ATOM 1146 HB2 GLN 72 -19.030 6.298 -15.398 1.00 44.33 ATOM 1147 CG GLN 72 -18.762 4.371 -14.540 1.00 10.31 ATOM 1148 HG1 GLN 72 -19.451 3.926 -15.243 1.00 36.42 ATOM 1149 HG2 GLN 72 -18.891 3.905 -13.574 1.00 14.04 ATOM 1150 CD GLN 72 -17.340 4.099 -15.015 1.00 73.21 ATOM 1151 OE1 GLN 72 -17.077 3.104 -15.676 1.00 41.13 ATOM 1152 NE2 GLN 72 -16.409 4.971 -14.676 1.00 14.31 ATOM 1153 HE21 GLN 72 -16.667 5.747 -14.142 1.00 23.04 ATOM 1154 HE22 GLN 72 -15.492 4.796 -14.969 1.00 40.40 ATOM 1155 C GLN 72 -21.594 5.694 -14.764 1.00 31.04 ATOM 1156 O GLN 72 -22.130 6.496 -15.531 1.00 41.54 ATOM 1157 N ALA 73 -21.959 4.408 -14.697 1.00 64.42 ATOM 1158 HN ALA 73 -21.456 3.800 -14.113 1.00 36.42 ATOM 1159 CA ALA 73 -23.083 3.881 -15.481 1.00 64.13 ATOM 1160 HA ALA 73 -22.851 4.023 -16.529 1.00 11.44 ATOM 1161 CB ALA 73 -23.260 2.385 -15.234 1.00 11.52 ATOM 1162 HB1 ALA 73 -22.331 1.873 -15.441 1.00 54.31 ATOM 1163 HB2 ALA 73 -24.033 1.999 -15.883 1.00 73.20 ATOM 1164 HB3 ALA 73 -23.541 2.218 -14.204 1.00 41.52 ATOM 1165 C ALA 73 -24.384 4.630 -15.157 1.00 53.33 ATOM 1166 O ALA 73 -25.117 5.045 -16.056 1.00 35.23 ATOM 1167 N THR 74 -24.659 4.802 -13.863 1.00 75.35 ATOM 1168 HN THR 74 -24.064 4.401 -13.193 1.00 36.42 ATOM 1169 CA THR 74 -25.830 5.568 -13.410 1.00 72.52 ATOM 1170 HA THR 74 -26.713 5.067 -13.783 1.00 13.40 ATOM 1171 CB THR 74 -25.919 5.621 -11.862 1.00 63.32 ATOM 1172 HB THR 74 -25.010 6.066 -11.479 1.00 14.23 ATOM 1173 OG1 THR 74 -26.044 4.294 -11.331 1.00 54.44 ATOM 1174 HG1 THR 74 -25.175 3.968 -11.080 1.00 13.24 ATOM 1175 CG2 THR 74 -27.108 6.459 -11.396 1.00 31.15 ATOM 1176 HG21 THR 74 -28.021 6.049 -11.805 1.00 2.42 ATOM 1177 HG22 THR 74 -26.989 7.478 -11.735 1.00 11.31 ATOM 1178 HG23 THR 74 -27.161 6.444 -10.317 1.00 62.42 ATOM 1179 C THR 74 -25.805 7.000 -13.959 1.00 63.11 ATOM 1180 O THR 74 -26.824 7.516 -14.424 1.00 3.25 ATOM 1181 N GLU 75 -24.634 7.637 -13.915 1.00 40.15 ATOM 1182 HN GLU 75 -23.860 7.191 -13.506 1.00 36.42 ATOM 1183 CA GLU 75 -24.477 8.993 -14.455 1.00 55.40 ATOM 1184 HA GLU 75 -25.189 9.628 -13.946 1.00 41.13 ATOM 1185 CB GLU 75 -23.063 9.528 -14.187 1.00 23.52 ATOM 1186 HB1 GLU 75 -22.965 10.499 -14.654 1.00 36.42 ATOM 1187 HB2 GLU 75 -22.345 8.854 -14.633 1.00 61.31 ATOM 1188 CG GLU 75 -22.731 9.674 -12.706 1.00 2.25 ATOM 1189 HG1 GLU 75 -22.643 8.688 -12.273 1.00 36.42 ATOM 1190 HG2 GLU 75 -23.539 10.204 -12.221 1.00 30.14 ATOM 1191 CD GLU 75 -21.435 10.433 -12.461 1.00 13.43 ATOM 1192 OE1 GLU 75 -21.484 11.673 -12.347 1.00 1.33 ATOM 1193 OE2 GLU 75 -20.362 9.796 -12.377 1.00 65.44 ATOM 1194 C GLU 75 -24.778 9.039 -15.962 1.00 41.10 ATOM 1195 O GLU 75 -25.354 10.012 -16.456 1.00 25.13 ATOM 1196 N VAL 76 -24.384 7.988 -16.687 1.00 63.15 ATOM 1197 HN VAL 76 -23.860 7.279 -16.252 1.00 36.42 ATOM 1198 CA VAL 76 -24.705 7.868 -18.117 1.00 75.12 ATOM 1199 HA VAL 76 -24.354 8.766 -18.611 1.00 70.42 ATOM 1200 CB VAL 76 -23.999 6.649 -18.770 1.00 61.51 ATOM 1201 HB VAL 76 -24.316 5.753 -18.248 1.00 42.11 ATOM 1202 CG1 VAL 76 -24.405 6.511 -20.237 1.00 14.24 ATOM 1203 HG11 VAL 76 -24.128 7.408 -20.776 1.00 52.24 ATOM 1204 HG12 VAL 76 -25.473 6.368 -20.305 1.00 12.25 ATOM 1205 HG13 VAL 76 -23.902 5.661 -20.674 1.00 64.31 ATOM 1206 CG2 VAL 76 -22.479 6.765 -18.641 1.00 43.00 ATOM 1207 HG21 VAL 76 -22.208 6.813 -17.597 1.00 53.00 ATOM 1208 HG22 VAL 76 -22.140 7.661 -19.141 1.00 51.01 ATOM 1209 HG23 VAL 76 -22.010 5.903 -19.094 1.00 71.42 ATOM 1210 C VAL 76 -26.221 7.745 -18.334 1.00 63.53 ATOM 1211 O VAL 76 -26.790 8.411 -19.198 1.00 4.31 ATOM 1212 N ILE 77 -26.864 6.891 -17.537 1.00 22.02 ATOM 1213 HN ILE 77 -26.344 6.366 -16.891 1.00 36.42 ATOM 1214 CA ILE 77 -28.320 6.706 -17.601 1.00 72.21 ATOM 1215 HA ILE 77 -28.567 6.357 -18.595 1.00 61.14 ATOM 1216 CB ILE 77 -28.793 5.637 -16.578 1.00 65.24 ATOM 1217 HB ILE 77 -28.468 5.948 -15.595 1.00 3.42 ATOM 1218 CG1 ILE 77 -28.158 4.270 -16.902 1.00 34.40 ATOM 1219 HG11 ILE 77 -27.081 4.371 -16.901 1.00 36.42 ATOM 1220 HG12 ILE 77 -28.481 3.952 -17.883 1.00 70.42 ATOM 1221 CG2 ILE 77 -30.321 5.536 -16.558 1.00 23.52 ATOM 1222 HG21 ILE 77 -30.743 6.491 -16.279 1.00 73.13 ATOM 1223 HG22 ILE 77 -30.626 4.787 -15.840 1.00 72.31 ATOM 1224 HG23 ILE 77 -30.678 5.260 -17.539 1.00 64.30 ATOM 1225 CD1 ILE 77 -28.522 3.173 -15.922 1.00 34.31 ATOM 1226 HD11 ILE 77 -28.014 2.261 -16.199 1.00 63.34 ATOM 1227 HD12 ILE 77 -29.589 3.010 -15.944 1.00 62.35 ATOM 1228 HD13 ILE 77 -28.222 3.464 -14.926 1.00 72.44 ATOM 1229 C ILE 77 -29.064 8.029 -17.342 1.00 41.50 ATOM 1230 O ILE 77 -29.953 8.419 -18.104 1.00 41.11 ATOM 1231 N ASN 78 -28.685 8.718 -16.268 1.00 0.41 ATOM 1232 HN ASN 78 -27.988 8.345 -15.686 1.00 36.42 ATOM 1233 CA ASN 78 -29.284 10.013 -15.925 1.00 65.13 ATOM 1234 HA ASN 78 -30.356 9.873 -15.870 1.00 22.44 ATOM 1235 CB ASN 78 -28.777 10.483 -14.558 1.00 12.44 ATOM 1236 HB1 ASN 78 -29.150 11.479 -14.364 1.00 36.42 ATOM 1237 HB2 ASN 78 -27.697 10.505 -14.570 1.00 30.45 ATOM 1238 CG ASN 78 -29.226 9.574 -13.426 1.00 3.41 ATOM 1239 OD1 ASN 78 -30.298 8.978 -13.477 1.00 71.52 ATOM 1240 ND2 ASN 78 -28.422 9.470 -12.388 1.00 1.32 ATOM 1241 HD21 ASN 78 -27.584 9.983 -12.394 1.00 73.54 ATOM 1242 HD22 ASN 78 -28.691 8.880 -11.655 1.00 75.33 ATOM 1243 C ASN 78 -28.983 11.077 -16.996 1.00 51.42 ATOM 1244 O ASN 78 -29.833 11.909 -17.312 1.00 63.43 ATOM 1245 N PHE 79 -27.771 11.042 -17.549 1.00 74.04 ATOM 1246 HN PHE 79 -27.119 10.387 -17.222 1.00 36.42 ATOM 1247 CA PHE 79 -27.380 11.956 -18.630 1.00 2.11 ATOM 1248 HA PHE 79 -27.513 12.968 -18.275 1.00 52.50 ATOM 1249 CB PHE 79 -25.900 11.734 -18.980 1.00 74.33 ATOM 1250 HB1 PHE 79 -25.780 10.734 -19.374 1.00 36.42 ATOM 1251 HB2 PHE 79 -25.311 11.825 -18.078 1.00 73.15 ATOM 1252 CG PHE 79 -25.341 12.705 -19.992 1.00 25.34 ATOM 1253 CD1 PHE 79 -24.972 12.277 -21.262 1.00 72.41 ATOM 1254 HD1 PHE 79 -25.092 11.236 -21.527 1.00 65.33 ATOM 1255 CD2 PHE 79 -25.178 14.045 -19.670 1.00 40.51 ATOM 1256 HD2 PHE 79 -25.462 14.393 -18.686 1.00 62.42 ATOM 1257 CE1 PHE 79 -24.453 13.166 -22.185 1.00 74.13 ATOM 1258 HE1 PHE 79 -24.170 12.821 -23.170 1.00 25.44 ATOM 1259 CE2 PHE 79 -24.662 14.935 -20.590 1.00 63.35 ATOM 1260 HE2 PHE 79 -24.541 15.976 -20.325 1.00 71.33 ATOM 1261 CZ PHE 79 -24.298 14.496 -21.848 1.00 11.04 ATOM 1262 HZ PHE 79 -23.893 15.193 -22.566 1.00 65.23 ATOM 1263 C PHE 79 -28.266 11.740 -19.869 1.00 73.52 ATOM 1264 O PHE 79 -28.855 12.682 -20.400 1.00 73.14 ATOM 1265 N TRP 80 -28.363 10.485 -20.301 1.00 12.33 ATOM 1266 HN TRP 80 -27.826 9.794 -19.859 1.00 36.42 ATOM 1267 CA TRP 80 -29.237 10.090 -21.413 1.00 52.12 ATOM 1268 HA TRP 80 -28.868 10.563 -22.313 1.00 12.33 ATOM 1269 CB TRP 80 -29.172 8.564 -21.582 1.00 60.20 ATOM 1270 HB1 TRP 80 -29.388 8.099 -20.629 1.00 36.42 ATOM 1271 HB2 TRP 80 -28.172 8.289 -21.884 1.00 44.54 ATOM 1272 CG TRP 80 -30.128 7.997 -22.599 1.00 62.12 ATOM 1273 CD1 TRP 80 -29.922 7.864 -23.943 1.00 63.23 ATOM 1274 HD1 TRP 80 -29.022 8.172 -24.454 1.00 53.21 ATOM 1275 CD2 TRP 80 -31.438 7.468 -22.343 1.00 40.04 ATOM 1276 NE1 TRP 80 -31.020 7.284 -24.533 1.00 41.34 ATOM 1277 HE1 TRP 80 -31.113 7.082 -25.489 1.00 22.42 ATOM 1278 CE2 TRP 80 -31.963 7.034 -23.573 1.00 33.00 ATOM 1279 CE3 TRP 80 -32.216 7.320 -21.191 1.00 22.33 ATOM 1280 HE3 TRP 80 -31.850 7.641 -20.226 1.00 14.20 ATOM 1281 CZ2 TRP 80 -33.228 6.461 -23.685 1.00 31.45 ATOM 1282 HZ2 TRP 80 -33.623 6.128 -24.635 1.00 63.31 ATOM 1283 CZ3 TRP 80 -33.473 6.753 -21.303 1.00 43.24 ATOM 1284 HZ3 TRP 80 -34.087 6.630 -20.423 1.00 32.34 ATOM 1285 CH2 TRP 80 -33.967 6.328 -22.542 1.00 34.33 ATOM 1286 HH2 TRP 80 -34.954 5.891 -22.583 1.00 65.41 ATOM 1287 C TRP 80 -30.688 10.537 -21.170 1.00 34.12 ATOM 1288 O TRP 80 -31.362 11.033 -22.077 1.00 51.13 ATOM 1289 N GLN 81 -31.159 10.361 -19.937 1.00 43.51 ATOM 1290 HN GLN 81 -30.572 9.964 -19.256 1.00 36.42 ATOM 1291 CA GLN 81 -32.528 10.730 -19.569 1.00 13.25 ATOM 1292 HA GLN 81 -33.192 10.285 -20.299 1.00 33.44 ATOM 1293 CB GLN 81 -32.870 10.166 -18.181 1.00 62.32 ATOM 1294 HB1 GLN 81 -32.337 10.734 -17.431 1.00 36.42 ATOM 1295 HB2 GLN 81 -32.541 9.135 -18.133 1.00 22.43 ATOM 1296 CG GLN 81 -34.357 10.210 -17.844 1.00 62.11 ATOM 1297 HG1 GLN 81 -34.905 9.695 -18.622 1.00 36.42 ATOM 1298 HG2 GLN 81 -34.676 11.242 -17.808 1.00 2.04 ATOM 1299 CD GLN 81 -34.679 9.553 -16.511 1.00 53.20 ATOM 1300 OE1 GLN 81 -33.982 8.650 -16.058 1.00 21.33 ATOM 1301 NE2 GLN 81 -35.752 9.985 -15.883 1.00 43.02 ATOM 1302 HE21 GLN 81 -36.280 10.696 -16.303 1.00 4.21 ATOM 1303 HE22 GLN 81 -35.976 9.576 -15.021 1.00 1.42 ATOM 1304 C GLN 81 -32.723 12.259 -19.599 1.00 51.34 ATOM 1305 O GLN 81 -33.775 12.751 -20.013 1.00 11.02 ATOM 1306 N ASP 82 -31.699 13.001 -19.171 1.00 32.35 ATOM 1307 HN ASP 82 -30.909 12.554 -18.801 1.00 36.42 ATOM 1308 CA ASP 82 -31.725 14.468 -19.231 1.00 4.24 ATOM 1309 HA ASP 82 -32.577 14.807 -18.659 1.00 5.32 ATOM 1310 CB ASP 82 -30.444 15.046 -18.612 1.00 24.45 ATOM 1311 HB1 ASP 82 -29.590 14.712 -19.186 1.00 36.42 ATOM 1312 HB2 ASP 82 -30.350 14.685 -17.598 1.00 33.31 ATOM 1313 CG ASP 82 -30.448 16.567 -18.583 1.00 11.52 ATOM 1314 OD1 ASP 82 -29.837 17.194 -19.476 1.00 32.41 ATOM 1315 OD2 ASP 82 -31.083 17.143 -17.674 1.00 73.22 ATOM 1316 C ASP 82 -31.875 14.954 -20.683 1.00 20.32 ATOM 1317 O ASP 82 -32.703 15.821 -20.989 1.00 11.33 ATOM 1318 N LEU 83 -31.069 14.381 -21.573 1.00 72.52 ATOM 1319 HN LEU 83 -30.408 13.723 -21.263 1.00 36.42 ATOM 1320 CA LEU 83 -31.134 14.711 -22.999 1.00 12.33 ATOM 1321 HA LEU 83 -31.031 15.784 -23.095 1.00 74.42 ATOM 1322 CB LEU 83 -29.990 14.027 -23.761 1.00 61.31 ATOM 1323 HB1 LEU 83 -29.956 14.439 -24.760 1.00 36.42 ATOM 1324 HB2 LEU 83 -30.217 12.971 -23.836 1.00 71.45 ATOM 1325 CG LEU 83 -28.594 14.177 -23.132 1.00 71.44 ATOM 1326 HG LEU 83 -28.569 13.616 -22.208 1.00 25.14 ATOM 1327 CD1 LEU 83 -27.524 13.593 -24.049 1.00 33.52 ATOM 1328 HD11 LEU 83 -27.538 14.109 -24.999 1.00 51.52 ATOM 1329 HD12 LEU 83 -27.719 12.542 -24.209 1.00 4.23 ATOM 1330 HD13 LEU 83 -26.553 13.711 -23.591 1.00 24.40 ATOM 1331 CD2 LEU 83 -28.293 15.637 -22.796 1.00 51.54 ATOM 1332 HD21 LEU 83 -27.321 15.707 -22.328 1.00 11.32 ATOM 1333 HD22 LEU 83 -29.046 16.018 -22.116 1.00 1.24 ATOM 1334 HD23 LEU 83 -28.299 16.227 -23.702 1.00 32.12 ATOM 1335 C LEU 83 -32.485 14.287 -23.592 1.00 32.23 ATOM 1336 O LEU 83 -33.053 14.980 -24.434 1.00 20.33 ATOM 1337 N LYS 84 -32.989 13.144 -23.128 1.00 15.10 ATOM 1338 HN LYS 84 -32.462 12.631 -22.480 1.00 36.42 ATOM 1339 CA LYS 84 -34.291 12.616 -23.555 1.00 73.51 ATOM 1340 HA LYS 84 -34.246 12.438 -24.620 1.00 24.34 ATOM 1341 CB LYS 84 -34.563 11.282 -22.836 1.00 32.02 ATOM 1342 HB1 LYS 84 -34.607 11.464 -21.770 1.00 36.42 ATOM 1343 HB2 LYS 84 -33.741 10.606 -23.037 1.00 1.04 ATOM 1344 CG LYS 84 -35.859 10.592 -23.259 1.00 21.20 ATOM 1345 HG1 LYS 84 -36.684 11.272 -23.096 1.00 36.42 ATOM 1346 HG2 LYS 84 -36.000 9.707 -22.655 1.00 74.03 ATOM 1347 CD LYS 84 -35.835 10.187 -24.730 1.00 72.50 ATOM 1348 HD1 LYS 84 -35.727 11.075 -25.337 1.00 36.42 ATOM 1349 HD2 LYS 84 -36.768 9.699 -24.972 1.00 2.10 ATOM 1350 CE LYS 84 -34.689 9.230 -25.040 1.00 54.33 ATOM 1351 HE1 LYS 84 -34.816 8.334 -24.450 1.00 36.42 ATOM 1352 HE2 LYS 84 -33.754 9.703 -24.776 1.00 3.05 ATOM 1353 NZ LYS 84 -34.646 8.856 -26.477 1.00 43.13 ATOM 1354 HZ1 LYS 84 -35.535 8.389 -26.751 1.00 1.50 ATOM 1355 HZ2 LYS 84 -33.858 8.204 -26.651 1.00 21.45 ATOM 1356 HZ3 LYS 84 -34.519 9.706 -27.065 1.00 3.24 ATOM 1357 C LYS 84 -35.428 13.609 -23.263 1.00 74.04 ATOM 1358 O LYS 84 -36.292 13.854 -24.109 1.00 35.22 ATOM 1359 N ASN 85 -35.417 14.175 -22.059 1.00 43.40 ATOM 1360 HN ASN 85 -34.705 13.930 -21.427 1.00 36.42 ATOM 1361 CA ASN 85 -36.439 15.143 -21.640 1.00 75.20 ATOM 1362 HA ASN 85 -37.410 14.689 -21.786 1.00 33.13 ATOM 1363 CB ASN 85 -36.263 15.482 -20.154 1.00 22.11 ATOM 1364 HB1 ASN 85 -37.009 16.212 -19.868 1.00 36.42 ATOM 1365 HB2 ASN 85 -35.281 15.907 -20.005 1.00 63.24 ATOM 1366 CG ASN 85 -36.405 14.275 -19.244 1.00 14.14 ATOM 1367 OD1 ASN 85 -37.146 13.340 -19.533 1.00 21.41 ATOM 1368 ND2 ASN 85 -35.695 14.285 -18.133 1.00 43.23 ATOM 1369 HD21 ASN 85 -35.119 15.060 -17.959 1.00 71.11 ATOM 1370 HD22 ASN 85 -35.777 13.520 -17.528 1.00 31.01 ATOM 1371 C ASN 85 -36.366 16.442 -22.461 1.00 62.43 ATOM 1372 O ASN 85 -37.392 17.028 -22.815 1.00 42.04 ATOM 1373 N GLN 86 -35.146 16.886 -22.753 1.00 24.21 ATOM 1374 HN GLN 86 -34.371 16.331 -22.518 1.00 36.42 ATOM 1375 CA GLN 86 -34.924 18.187 -23.400 1.00 21.45 ATOM 1376 HA GLN 86 -35.833 18.764 -23.299 1.00 23.40 ATOM 1377 CB GLN 86 -33.804 18.920 -22.663 1.00 42.44 ATOM 1378 HB1 GLN 86 -33.597 19.852 -23.168 1.00 36.42 ATOM 1379 HB2 GLN 86 -32.915 18.306 -22.681 1.00 54.11 ATOM 1380 CG GLN 86 -34.151 19.226 -21.210 1.00 33.01 ATOM 1381 HG1 GLN 86 -34.570 18.337 -20.758 1.00 36.42 ATOM 1382 HG2 GLN 86 -34.884 20.019 -21.187 1.00 52.14 ATOM 1383 CD GLN 86 -32.947 19.658 -20.400 1.00 64.22 ATOM 1384 OE1 GLN 86 -32.634 20.841 -20.299 1.00 12.43 ATOM 1385 NE2 GLN 86 -32.250 18.697 -19.834 1.00 54.23 ATOM 1386 HE21 GLN 86 -32.545 17.770 -19.965 1.00 44.11 ATOM 1387 HE22 GLN 86 -31.460 18.943 -19.308 1.00 55.33 ATOM 1388 C GLN 86 -34.597 18.066 -24.898 1.00 60.30 ATOM 1389 O GLN 86 -34.372 19.076 -25.566 1.00 10.20 ATOM 1390 N ASN 87 -34.577 16.835 -25.418 1.00 12.13 ATOM 1391 HN ASN 87 -34.725 16.068 -24.823 1.00 36.42 ATOM 1392 CA ASN 87 -34.341 16.582 -26.851 1.00 34.12 ATOM 1393 HA ASN 87 -34.331 15.510 -26.992 1.00 53.11 ATOM 1394 CB ASN 87 -35.491 17.175 -27.677 1.00 62.31 ATOM 1395 HB1 ASN 87 -35.321 16.967 -28.724 1.00 36.42 ATOM 1396 HB2 ASN 87 -35.526 18.246 -27.527 1.00 50.43 ATOM 1397 CG ASN 87 -36.833 16.585 -27.277 1.00 62.33 ATOM 1398 OD1 ASN 87 -37.292 15.605 -27.850 1.00 30.12 ATOM 1399 ND2 ASN 87 -37.472 17.169 -26.282 1.00 62.51 ATOM 1400 HD21 ASN 87 -37.058 17.945 -25.859 1.00 74.32 ATOM 1401 HD22 ASN 87 -38.333 16.792 -26.003 1.00 4.14 ATOM 1402 C ASN 87 -32.983 17.140 -27.318 1.00 1.21 ATOM 1403 O ASN 87 -32.832 17.595 -28.455 1.00 65.24 ATOM 1404 N LYS 88 -31.988 17.065 -26.439 1.00 5.23 ATOM 1405 HN LYS 88 -32.158 16.651 -25.567 1.00 36.42 ATOM 1406 CA LYS 88 -30.643 17.569 -26.740 1.00 23.32 ATOM 1407 HA LYS 88 -30.750 18.543 -27.195 1.00 74.22 ATOM 1408 CB LYS 88 -29.825 17.716 -25.452 1.00 23.41 ATOM 1409 HB1 LYS 88 -28.818 18.012 -25.715 1.00 36.42 ATOM 1410 HB2 LYS 88 -29.784 16.756 -24.958 1.00 61.24 ATOM 1411 CG LYS 88 -30.376 18.738 -24.463 1.00 1.13 ATOM 1412 HG1 LYS 88 -31.403 18.489 -24.233 1.00 36.42 ATOM 1413 HG2 LYS 88 -30.333 19.720 -24.913 1.00 54.34 ATOM 1414 CD LYS 88 -29.562 18.747 -23.173 1.00 3.15 ATOM 1415 HD1 LYS 88 -28.535 18.993 -23.409 1.00 36.42 ATOM 1416 HD2 LYS 88 -29.601 17.763 -22.730 1.00 62.31 ATOM 1417 CE LYS 88 -30.088 19.750 -22.163 1.00 53.52 ATOM 1418 HE1 LYS 88 -31.138 19.561 -21.995 1.00 36.42 ATOM 1419 HE2 LYS 88 -29.962 20.747 -22.559 1.00 2.33 ATOM 1420 NZ LYS 88 -29.368 19.651 -20.867 1.00 24.45 ATOM 1421 HZ1 LYS 88 -29.505 18.705 -20.449 1.00 43.40 ATOM 1422 HZ2 LYS 88 -29.726 20.365 -20.201 1.00 61.20 ATOM 1423 HZ3 LYS 88 -28.350 19.810 -21.009 1.00 72.22 ATOM 1424 C LYS 88 -29.887 16.649 -27.714 1.00 1.32 ATOM 1425 O LYS 88 -29.292 15.649 -27.307 1.00 22.54 ATOM 1426 N GLN 89 -29.918 16.980 -29.002 1.00 4.54 ATOM 1427 HN GLN 89 -30.478 17.730 -29.287 1.00 36.42 ATOM 1428 CA GLN 89 -29.138 16.242 -30.000 1.00 24.13 ATOM 1429 HA GLN 89 -29.143 15.197 -29.721 1.00 2.22 ATOM 1430 CB GLN 89 -29.771 16.390 -31.391 1.00 12.44 ATOM 1431 HB1 GLN 89 -29.197 15.807 -32.099 1.00 36.42 ATOM 1432 HB2 GLN 89 -29.732 17.430 -31.682 1.00 62.43 ATOM 1433 CG GLN 89 -31.224 15.929 -31.459 1.00 31.42 ATOM 1434 HG1 GLN 89 -31.812 16.529 -30.778 1.00 36.42 ATOM 1435 HG2 GLN 89 -31.277 14.892 -31.157 1.00 12.03 ATOM 1436 CD GLN 89 -31.817 16.056 -32.852 1.00 31.21 ATOM 1437 OE1 GLN 89 -31.121 15.937 -33.855 1.00 42.33 ATOM 1438 NE2 GLN 89 -33.105 16.307 -32.925 1.00 64.32 ATOM 1439 HE21 GLN 89 -33.607 16.398 -32.088 1.00 14.22 ATOM 1440 HE22 GLN 89 -33.508 16.387 -33.813 1.00 24.15 ATOM 1441 C GLN 89 -27.684 16.742 -30.015 1.00 43.42 ATOM 1442 O GLN 89 -27.287 17.519 -30.886 1.00 71.21 ATOM 1443 N ILE 90 -26.903 16.315 -29.027 1.00 11.24 ATOM 1444 HN ILE 90 -27.267 15.680 -28.376 1.00 36.42 ATOM 1445 CA ILE 90 -25.518 16.778 -28.878 1.00 44.40 ATOM 1446 HA ILE 90 -25.468 17.795 -29.244 1.00 4.22 ATOM 1447 CB ILE 90 -25.084 16.789 -27.390 1.00 70.20 ATOM 1448 HB ILE 90 -24.060 17.140 -27.344 1.00 43.44 ATOM 1449 CG1 ILE 90 -25.152 15.373 -26.789 1.00 1.14 ATOM 1450 HG11 ILE 90 -24.580 14.698 -27.410 1.00 36.42 ATOM 1451 HG12 ILE 90 -26.181 15.046 -26.764 1.00 4.13 ATOM 1452 CG2 ILE 90 -25.945 17.765 -26.591 1.00 13.05 ATOM 1453 HG21 ILE 90 -25.874 18.750 -27.029 1.00 2.14 ATOM 1454 HG22 ILE 90 -25.595 17.804 -25.570 1.00 33.23 ATOM 1455 HG23 ILE 90 -26.975 17.437 -26.605 1.00 32.13 ATOM 1456 CD1 ILE 90 -24.605 15.281 -25.379 1.00 33.43 ATOM 1457 HD11 ILE 90 -25.163 15.941 -24.730 1.00 11.40 ATOM 1458 HD12 ILE 90 -23.563 15.569 -25.375 1.00 1.10 ATOM 1459 HD13 ILE 90 -24.698 14.266 -25.023 1.00 61.12 ATOM 1460 C ILE 90 -24.520 15.926 -29.676 1.00 62.44 ATOM 1461 O ILE 90 -24.885 14.941 -30.323 1.00 21.10 ATOM 1462 N SER 91 -23.252 16.320 -29.617 1.00 2.35 ATOM 1463 HN SER 91 -23.032 17.132 -29.108 1.00 36.42 ATOM 1464 CA SER 91 -22.171 15.585 -30.282 1.00 34.04 ATOM 1465 HA SER 91 -22.574 15.127 -31.173 1.00 71.53 ATOM 1466 CB SER 91 -21.051 16.557 -30.681 1.00 33.05 ATOM 1467 HB1 SER 91 -20.282 16.021 -31.220 1.00 36.42 ATOM 1468 HB2 SER 91 -20.624 16.996 -29.791 1.00 55.30 ATOM 1469 OG SER 91 -21.545 17.602 -31.509 1.00 54.50 ATOM 1470 HG SER 91 -22.465 17.795 -31.269 1.00 61.32 ATOM 1471 C SER 91 -21.611 14.490 -29.363 1.00 13.12 ATOM 1472 O SER 91 -21.393 14.729 -28.175 1.00 75.45 ATOM 1473 N MET 92 -21.368 13.292 -29.906 1.00 42.25 ATOM 1474 HN MET 92 -21.560 13.152 -30.859 1.00 36.42 ATOM 1475 CA MET 92 -20.829 12.180 -29.102 1.00 33.04 ATOM 1476 HA MET 92 -21.537 11.993 -28.305 1.00 3.25 ATOM 1477 CB MET 92 -20.693 10.894 -29.943 1.00 64.42 ATOM 1478 HB1 MET 92 -21.666 10.638 -30.341 1.00 36.42 ATOM 1479 HB2 MET 92 -20.363 10.092 -29.299 1.00 24.52 ATOM 1480 CG MET 92 -19.717 10.991 -31.109 1.00 30.54 ATOM 1481 HG1 MET 92 -18.739 11.244 -30.725 1.00 36.42 ATOM 1482 HG2 MET 92 -20.052 11.771 -31.777 1.00 21.34 ATOM 1483 SD MET 92 -19.593 9.445 -32.042 1.00 24.43 ATOM 1484 CE MET 92 -18.971 8.320 -30.788 1.00 5.40 ATOM 1485 HE1 MET 92 -18.017 8.676 -30.426 1.00 0.11 ATOM 1486 HE2 MET 92 -18.849 7.334 -31.215 1.00 63.51 ATOM 1487 HE3 MET 92 -19.672 8.271 -29.968 1.00 14.10 ATOM 1488 C MET 92 -19.480 12.554 -28.458 1.00 14.20 ATOM 1489 O MET 92 -19.080 11.977 -27.443 1.00 30.42 ATOM 1490 N ALA 93 -18.791 13.531 -29.049 1.00 13.42 ATOM 1491 HN ALA 93 -19.109 13.883 -29.909 1.00 36.42 ATOM 1492 CA ALA 93 -17.563 14.083 -28.466 1.00 3.53 ATOM 1493 HA ALA 93 -16.845 13.277 -28.381 1.00 22.51 ATOM 1494 CB ALA 93 -16.977 15.146 -29.387 1.00 22.13 ATOM 1495 HB1 ALA 93 -16.803 14.719 -30.365 1.00 60.04 ATOM 1496 HB2 ALA 93 -16.042 15.503 -28.980 1.00 35.10 ATOM 1497 HB3 ALA 93 -17.670 15.971 -29.473 1.00 30.23 ATOM 1498 C ALA 93 -17.819 14.671 -27.065 1.00 2.13 ATOM 1499 O ALA 93 -16.981 14.555 -26.168 1.00 52.30 ATOM 1500 N GLU 94 -18.983 15.299 -26.883 1.00 75.12 ATOM 1501 HN GLU 94 -19.590 15.407 -27.646 1.00 36.42 ATOM 1502 CA GLU 94 -19.384 15.839 -25.576 1.00 62.20 ATOM 1503 HA GLU 94 -18.617 16.531 -25.257 1.00 42.34 ATOM 1504 CB GLU 94 -20.718 16.592 -25.696 1.00 30.25 ATOM 1505 HB1 GLU 94 -21.031 16.909 -24.711 1.00 36.42 ATOM 1506 HB2 GLU 94 -21.463 15.920 -26.100 1.00 55.31 ATOM 1507 CG GLU 94 -20.650 17.822 -26.593 1.00 51.43 ATOM 1508 HG1 GLU 94 -20.293 17.519 -27.566 1.00 36.42 ATOM 1509 HG2 GLU 94 -19.955 18.528 -26.161 1.00 23.35 ATOM 1510 CD GLU 94 -21.995 18.511 -26.760 1.00 32.14 ATOM 1511 OE1 GLU 94 -22.609 18.882 -25.736 1.00 55.34 ATOM 1512 OE2 GLU 94 -22.434 18.694 -27.918 1.00 4.55 ATOM 1513 C GLU 94 -19.503 14.717 -24.534 1.00 62.21 ATOM 1514 O GLU 94 -19.004 14.834 -23.415 1.00 44.12 ATOM 1515 N ALA 95 -20.160 13.622 -24.921 1.00 4.52 ATOM 1516 HN ALA 95 -20.585 13.612 -25.805 1.00 36.42 ATOM 1517 CA ALA 95 -20.278 12.441 -24.059 1.00 1.53 ATOM 1518 HA ALA 95 -20.796 12.740 -23.156 1.00 44.13 ATOM 1519 CB ALA 95 -21.114 11.370 -24.752 1.00 13.33 ATOM 1520 HB1 ALA 95 -21.261 10.535 -24.081 1.00 40.03 ATOM 1521 HB2 ALA 95 -20.602 11.030 -25.641 1.00 2.52 ATOM 1522 HB3 ALA 95 -22.074 11.783 -25.026 1.00 32.41 ATOM 1523 C ALA 95 -18.894 11.880 -23.678 1.00 64.42 ATOM 1524 O ALA 95 -18.687 11.407 -22.560 1.00 31.30 ATOM 1525 N GLN 96 -17.952 11.938 -24.623 1.00 14.00 ATOM 1526 HN GLN 96 -18.197 12.272 -25.512 1.00 36.42 ATOM 1527 CA GLN 96 -16.565 11.512 -24.380 1.00 53.01 ATOM 1528 HA GLN 96 -16.598 10.532 -23.926 1.00 42.04 ATOM 1529 CB GLN 96 -15.802 11.414 -25.713 1.00 12.11 ATOM 1530 HB1 GLN 96 -14.749 11.277 -25.507 1.00 36.42 ATOM 1531 HB2 GLN 96 -15.934 12.338 -26.259 1.00 54.11 ATOM 1532 CG GLN 96 -16.268 10.265 -26.603 1.00 1.24 ATOM 1533 HG1 GLN 96 -15.783 10.350 -27.566 1.00 36.42 ATOM 1534 HG2 GLN 96 -17.338 10.340 -26.735 1.00 24.44 ATOM 1535 CD GLN 96 -15.942 8.904 -26.009 1.00 73.21 ATOM 1536 OE1 GLN 96 -14.895 8.327 -26.274 1.00 10.53 ATOM 1537 NE2 GLN 96 -16.830 8.390 -25.184 1.00 1.34 ATOM 1538 HE21 GLN 96 -17.641 8.903 -25.000 1.00 0.53 ATOM 1539 HE22 GLN 96 -16.632 7.521 -24.780 1.00 2.44 ATOM 1540 C GLN 96 -15.841 12.470 -23.419 1.00 62.05 ATOM 1541 O GLN 96 -15.043 12.042 -22.587 1.00 40.25 ATOM 1542 N GLY 97 -16.128 13.767 -23.542 1.00 15.32 ATOM 1543 HN GLY 97 -16.742 14.055 -24.248 1.00 36.42 ATOM 1544 CA GLY 97 -15.541 14.757 -22.642 1.00 45.50 ATOM 1545 HA1 GLY 97 -15.738 15.742 -23.036 1.00 36.42 ATOM 1546 HA2 GLY 97 -14.472 14.605 -22.601 1.00 11.34 ATOM 1547 C GLY 97 -16.108 14.671 -21.229 1.00 11.21 ATOM 1548 O GLY 97 -15.399 14.900 -20.245 1.00 54.10 ATOM 1549 N LYS 98 -17.396 14.349 -21.134 1.00 4.13 ATOM 1550 HN LYS 98 -17.915 14.231 -21.958 1.00 36.42 ATOM 1551 CA LYS 98 -18.068 14.177 -19.843 1.00 73.41 ATOM 1552 HA LYS 98 -17.782 15.002 -19.205 1.00 72.11 ATOM 1553 CB LYS 98 -19.599 14.204 -20.049 1.00 75.02 ATOM 1554 HB1 LYS 98 -19.922 13.223 -20.371 1.00 36.42 ATOM 1555 HB2 LYS 98 -19.828 14.914 -20.833 1.00 73.31 ATOM 1556 CG LYS 98 -20.416 14.595 -18.811 1.00 41.41 ATOM 1557 HG1 LYS 98 -21.446 14.734 -19.109 1.00 36.42 ATOM 1558 HG2 LYS 98 -20.030 15.527 -18.423 1.00 12.14 ATOM 1559 CD LYS 98 -20.359 13.546 -17.702 1.00 32.35 ATOM 1560 HD1 LYS 98 -19.343 13.474 -17.339 1.00 36.42 ATOM 1561 HD2 LYS 98 -20.663 12.592 -18.107 1.00 12.54 ATOM 1562 CE LYS 98 -21.276 13.899 -16.535 1.00 3.54 ATOM 1563 HE1 LYS 98 -21.222 13.108 -15.800 1.00 36.42 ATOM 1564 HE2 LYS 98 -22.290 13.978 -16.899 1.00 54.21 ATOM 1565 NZ LYS 98 -20.896 15.184 -15.889 1.00 5.23 ATOM 1566 HZ1 LYS 98 -19.907 15.146 -15.566 1.00 11.42 ATOM 1567 HZ2 LYS 98 -21.507 15.366 -15.069 1.00 31.21 ATOM 1568 HZ3 LYS 98 -20.998 15.970 -16.563 1.00 21.21 ATOM 1569 C LYS 98 -17.625 12.857 -19.183 1.00 34.02 ATOM 1570 O LYS 98 -17.336 12.812 -17.987 1.00 62.32 ATOM 1571 N PHE 99 -17.568 11.787 -19.977 1.00 44.11 ATOM 1572 HN PHE 99 -17.818 11.885 -20.919 1.00 36.42 ATOM 1573 CA PHE 99 -17.138 10.468 -19.492 1.00 10.51 ATOM 1574 HA PHE 99 -16.971 10.540 -18.425 1.00 42.52 ATOM 1575 CB PHE 99 -18.231 9.420 -19.757 1.00 60.40 ATOM 1576 HB1 PHE 99 -17.920 8.476 -19.333 1.00 36.42 ATOM 1577 HB2 PHE 99 -18.354 9.300 -20.825 1.00 62.45 ATOM 1578 CG PHE 99 -19.579 9.770 -19.170 1.00 65.41 ATOM 1579 CD1 PHE 99 -20.593 10.278 -19.973 1.00 64.04 ATOM 1580 HD1 PHE 99 -20.412 10.424 -21.028 1.00 62.15 ATOM 1581 CD2 PHE 99 -19.829 9.589 -17.817 1.00 53.45 ATOM 1582 HD2 PHE 99 -19.049 9.194 -17.182 1.00 3.04 ATOM 1583 CE1 PHE 99 -21.827 10.597 -19.437 1.00 11.40 ATOM 1584 HE1 PHE 99 -22.608 10.992 -20.072 1.00 30.33 ATOM 1585 CE2 PHE 99 -21.061 9.907 -17.277 1.00 33.23 ATOM 1586 HE2 PHE 99 -21.243 9.762 -16.221 1.00 53.10 ATOM 1587 CZ PHE 99 -22.061 10.412 -18.087 1.00 21.13 ATOM 1588 HZ PHE 99 -23.024 10.660 -17.666 1.00 32.22 ATOM 1589 C PHE 99 -15.821 10.033 -20.170 1.00 53.22 ATOM 1590 O PHE 99 -15.834 9.301 -21.163 1.00 24.22 ATOM 1591 N PRO 100 -14.662 10.473 -19.637 1.00 13.34 ATOM 1592 CA PRO 100 -13.348 10.227 -20.270 1.00 30.20 ATOM 1593 HA PRO 100 -13.354 10.526 -21.311 1.00 51.05 ATOM 1594 CB PRO 100 -12.411 11.150 -19.481 1.00 60.23 ATOM 1595 HB1 PRO 100 -12.350 12.112 -19.971 1.00 36.42 ATOM 1596 HB2 PRO 100 -11.423 10.711 -19.422 1.00 52.24 ATOM 1597 CG PRO 100 -13.045 11.265 -18.137 1.00 70.14 ATOM 1598 HG1 PRO 100 -12.755 12.196 -17.670 1.00 36.42 ATOM 1599 HG2 PRO 100 -12.750 10.427 -17.519 1.00 51.51 ATOM 1600 CD PRO 100 -14.533 11.241 -18.380 1.00 75.41 ATOM 1601 HD1 PRO 100 -14.914 12.246 -18.502 1.00 36.42 ATOM 1602 HD2 PRO 100 -15.042 10.740 -17.569 1.00 0.12 ATOM 1603 C PRO 100 -12.882 8.762 -20.173 1.00 63.40 ATOM 1604 O PRO 100 -11.972 8.341 -20.890 1.00 61.04 ATOM 1605 N GLU 101 -13.506 7.989 -19.287 1.00 1.13 ATOM 1606 HN GLU 101 -14.221 8.376 -18.741 1.00 36.42 ATOM 1607 CA GLU 101 -13.140 6.577 -19.098 1.00 54.34 ATOM 1608 HA GLU 101 -12.194 6.408 -19.596 1.00 11.25 ATOM 1609 CB GLU 101 -12.970 6.276 -17.601 1.00 34.04 ATOM 1610 HB1 GLU 101 -12.699 5.235 -17.483 1.00 36.42 ATOM 1611 HB2 GLU 101 -13.913 6.450 -17.103 1.00 41.24 ATOM 1612 CG GLU 101 -11.904 7.128 -16.917 1.00 42.22 ATOM 1613 HG1 GLU 101 -12.194 8.169 -16.988 1.00 36.42 ATOM 1614 HG2 GLU 101 -10.963 6.985 -17.430 1.00 61.43 ATOM 1615 CD GLU 101 -11.716 6.769 -15.451 1.00 30.02 ATOM 1616 OE1 GLU 101 -12.255 7.485 -14.578 1.00 20.12 ATOM 1617 OE2 GLU 101 -11.029 5.766 -15.164 1.00 20.41 ATOM 1618 C GLU 101 -14.183 5.626 -19.708 1.00 73.42 ATOM 1619 O GLU 101 -14.102 4.407 -19.536 1.00 33.31 ATOM 1620 N VAL 102 -15.153 6.186 -20.432 1.00 33.01 ATOM 1621 HN VAL 102 -15.138 7.156 -20.578 1.00 36.42 ATOM 1622 CA VAL 102 -16.234 5.391 -21.030 1.00 43.31 ATOM 1623 HA VAL 102 -16.112 4.363 -20.709 1.00 11.25 ATOM 1624 CB VAL 102 -17.622 5.883 -20.548 1.00 24.22 ATOM 1625 HB VAL 102 -17.744 6.911 -20.867 1.00 22.42 ATOM 1626 CG1 VAL 102 -18.743 5.056 -21.175 1.00 33.40 ATOM 1627 HG11 VAL 102 -18.620 4.016 -20.906 1.00 31.32 ATOM 1628 HG12 VAL 102 -18.709 5.155 -22.250 1.00 71.44 ATOM 1629 HG13 VAL 102 -19.698 5.410 -20.813 1.00 34.13 ATOM 1630 CG2 VAL 102 -17.709 5.847 -19.022 1.00 61.34 ATOM 1631 HG21 VAL 102 -18.678 6.210 -18.706 1.00 35.34 ATOM 1632 HG22 VAL 102 -16.937 6.475 -18.601 1.00 45.24 ATOM 1633 HG23 VAL 102 -17.575 4.832 -18.675 1.00 23.45 ATOM 1634 C VAL 102 -16.186 5.433 -22.569 1.00 33.53 ATOM 1635 O VAL 102 -16.063 6.502 -23.176 1.00 21.24 ATOM 1636 N VAL 103 -16.297 4.261 -23.191 1.00 40.24 ATOM 1637 HN VAL 103 -16.417 3.449 -22.652 1.00 36.42 ATOM 1638 CA VAL 103 -16.250 4.141 -24.654 1.00 31.01 ATOM 1639 HA VAL 103 -15.799 5.042 -25.053 1.00 1.32 ATOM 1640 CB VAL 103 -15.378 2.930 -25.083 1.00 44.43 ATOM 1641 HB VAL 103 -15.850 2.029 -24.713 1.00 0.34 ATOM 1642 CG1 VAL 103 -15.292 2.824 -26.607 1.00 44.02 ATOM 1643 HG11 VAL 103 -14.830 3.716 -27.007 1.00 41.24 ATOM 1644 HG12 VAL 103 -16.285 2.719 -27.020 1.00 23.25 ATOM 1645 HG13 VAL 103 -14.701 1.960 -26.876 1.00 54.41 ATOM 1646 CG2 VAL 103 -13.984 3.021 -24.462 1.00 34.21 ATOM 1647 HG21 VAL 103 -14.069 3.041 -23.385 1.00 71.43 ATOM 1648 HG22 VAL 103 -13.495 3.923 -24.800 1.00 45.43 ATOM 1649 HG23 VAL 103 -13.399 2.162 -24.760 1.00 4.21 ATOM 1650 C VAL 103 -17.659 3.980 -25.252 1.00 54.10 ATOM 1651 O VAL 103 -18.358 3.010 -24.966 1.00 62.21 ATOM 1652 N PHE 104 -18.074 4.935 -26.082 1.00 43.53 ATOM 1653 HN PHE 104 -17.485 5.695 -26.263 1.00 36.42 ATOM 1654 CA PHE 104 -19.389 4.876 -26.739 1.00 40.33 ATOM 1655 HA PHE 104 -20.046 4.298 -26.102 1.00 21.52 ATOM 1656 CB PHE 104 -19.976 6.289 -26.893 1.00 53.41 ATOM 1657 HB1 PHE 104 -20.822 6.249 -27.565 1.00 36.42 ATOM 1658 HB2 PHE 104 -19.222 6.940 -27.313 1.00 54.35 ATOM 1659 CG PHE 104 -20.442 6.898 -25.590 1.00 33.31 ATOM 1660 CD1 PHE 104 -19.535 7.208 -24.586 1.00 15.23 ATOM 1661 HD1 PHE 104 -18.485 7.009 -24.740 1.00 22.41 ATOM 1662 CD2 PHE 104 -21.788 7.162 -25.371 1.00 45.13 ATOM 1663 HD2 PHE 104 -22.507 6.927 -26.142 1.00 53.42 ATOM 1664 CE1 PHE 104 -19.959 7.765 -23.394 1.00 73.22 ATOM 1665 HE1 PHE 104 -19.241 8.001 -22.621 1.00 44.32 ATOM 1666 CE2 PHE 104 -22.215 7.718 -24.180 1.00 43.51 ATOM 1667 HE2 PHE 104 -23.265 7.916 -24.022 1.00 50.42 ATOM 1668 CZ PHE 104 -21.301 8.020 -23.191 1.00 62.24 ATOM 1669 HZ PHE 104 -21.634 8.454 -22.261 1.00 25.02 ATOM 1670 C PHE 104 -19.298 4.179 -28.108 1.00 70.24 ATOM 1671 O PHE 104 -18.590 4.641 -29.007 1.00 2.24 ATOM 1672 N SER 105 -20.020 3.069 -28.263 1.00 22.42 ATOM 1673 HN SER 105 -20.605 2.779 -27.530 1.00 36.42 ATOM 1674 CA SER 105 -19.968 2.269 -29.500 1.00 12.53 ATOM 1675 HA SER 105 -19.006 2.448 -29.963 1.00 51.40 ATOM 1676 CB SER 105 -20.090 0.768 -29.183 1.00 15.32 ATOM 1677 HB1 SER 105 -20.119 0.207 -30.107 1.00 36.42 ATOM 1678 HB2 SER 105 -21.000 0.592 -28.630 1.00 22.50 ATOM 1679 OG SER 105 -18.994 0.308 -28.405 1.00 3.22 ATOM 1680 HG SER 105 -18.174 0.667 -28.765 1.00 12.25 ATOM 1681 C SER 105 -21.064 2.662 -30.499 1.00 1.13 ATOM 1682 O SER 105 -22.138 3.130 -30.117 1.00 12.21 ATOM 1683 N GLY 106 -20.776 2.454 -31.785 1.00 43.30 ATOM 1684 HN GLY 106 -19.892 2.103 -32.020 1.00 36.42 ATOM 1685 CA GLY 106 -21.733 2.748 -32.847 1.00 41.45 ATOM 1686 HA1 GLY 106 -21.346 3.560 -33.446 1.00 36.42 ATOM 1687 HA2 GLY 106 -22.670 3.061 -32.405 1.00 61.34 ATOM 1688 C GLY 106 -21.994 1.546 -33.754 1.00 50.15 ATOM 1689 O GLY 106 -22.603 0.558 -33.333 1.00 1.41 ATOM 1690 N SER 107 -21.544 1.642 -35.006 1.00 74.20 ATOM 1691 HN SER 107 -21.075 2.460 -35.274 1.00 36.42 ATOM 1692 CA SER 107 -21.723 0.569 -36.000 1.00 21.33 ATOM 1693 HA SER 107 -22.785 0.447 -36.158 1.00 34.25 ATOM 1694 CB SER 107 -21.073 0.963 -37.337 1.00 44.33 ATOM 1695 HB1 SER 107 -21.555 1.852 -37.721 1.00 36.42 ATOM 1696 HB2 SER 107 -21.195 0.158 -38.046 1.00 12.14 ATOM 1697 OG SER 107 -19.683 1.227 -37.184 1.00 35.24 ATOM 1698 HG SER 107 -19.194 0.772 -37.884 1.00 1.03 ATOM 1699 C SER 107 -21.142 -0.773 -35.517 1.00 44.03 ATOM 1700 O SER 107 -21.887 -1.720 -35.252 1.00 64.30 ATOM 1701 N ASN 108 -19.814 -0.854 -35.412 1.00 14.22 ATOM 1702 HN ASN 108 -19.269 -0.075 -35.655 1.00 36.42 ATOM 1703 CA ASN 108 -19.145 -2.078 -34.948 1.00 73.01 ATOM 1704 HA ASN 108 -19.602 -2.364 -34.010 1.00 75.31 ATOM 1705 CB ASN 108 -19.344 -3.215 -35.962 1.00 14.13 ATOM 1706 HB1 ASN 108 -18.806 -2.978 -36.870 1.00 36.42 ATOM 1707 HB2 ASN 108 -20.396 -3.309 -36.188 1.00 3.21 ATOM 1708 CG ASN 108 -18.843 -4.550 -35.443 1.00 25.51 ATOM 1709 OD1 ASN 108 -17.712 -4.950 -35.695 1.00 70.10 ATOM 1710 ND2 ASN 108 -19.671 -5.245 -34.690 1.00 30.51 ATOM 1711 HD21 ASN 108 -20.557 -4.873 -34.506 1.00 72.41 ATOM 1712 HD22 ASN 108 -19.362 -6.107 -34.346 1.00 55.43 ATOM 1713 C ASN 108 -17.643 -1.839 -34.704 1.00 42.14 ATOM 1714 O ASN 108 -17.018 -1.011 -35.367 1.00 55.24 ATOM 1715 N LEU 109 -17.074 -2.573 -33.747 1.00 42.53 ATOM 1716 HN LEU 109 -17.616 -3.237 -33.275 1.00 36.42 ATOM 1717 CA LEU 109 -15.659 -2.426 -33.385 1.00 62.15 ATOM 1718 HA LEU 109 -15.383 -1.394 -33.552 1.00 3.11 ATOM 1719 CB LEU 109 -15.444 -2.760 -31.897 1.00 12.45 ATOM 1720 HB1 LEU 109 -14.378 -2.818 -31.716 1.00 36.42 ATOM 1721 HB2 LEU 109 -15.872 -3.734 -31.705 1.00 71.54 ATOM 1722 CG LEU 109 -16.047 -1.761 -30.886 1.00 40.22 ATOM 1723 HG LEU 109 -15.699 -0.766 -31.128 1.00 44.34 ATOM 1724 CD1 LEU 109 -17.574 -1.746 -30.953 1.00 71.31 ATOM 1725 HD11 LEU 109 -17.958 -1.022 -30.249 1.00 24.21 ATOM 1726 HD12 LEU 109 -17.959 -2.726 -30.706 1.00 13.25 ATOM 1727 HD13 LEU 109 -17.889 -1.478 -31.951 1.00 15.04 ATOM 1728 CD2 LEU 109 -15.577 -2.085 -29.470 1.00 61.55 ATOM 1729 HD21 LEU 109 -15.908 -3.077 -29.196 1.00 12.31 ATOM 1730 HD22 LEU 109 -15.989 -1.365 -28.779 1.00 52.13 ATOM 1731 HD23 LEU 109 -14.498 -2.044 -29.430 1.00 31.01 ATOM 1732 C LEU 109 -14.759 -3.318 -34.258 1.00 22.55 ATOM 1733 O LEU 109 -15.069 -4.490 -34.499 1.00 31.53 ATOM 1734 N GLU 110 -13.637 -2.759 -34.707 1.00 2.24 ATOM 1735 HN GLU 110 -13.427 -1.842 -34.431 1.00 36.42 ATOM 1736 CA GLU 110 -12.698 -3.468 -35.587 1.00 60.32 ATOM 1737 HA GLU 110 -13.227 -3.718 -36.496 1.00 71.14 ATOM 1738 CB GLU 110 -11.521 -2.550 -35.942 1.00 3.34 ATOM 1739 HB1 GLU 110 -10.776 -3.128 -36.472 1.00 36.42 ATOM 1740 HB2 GLU 110 -11.084 -2.173 -35.027 1.00 60.33 ATOM 1741 CG GLU 110 -11.907 -1.362 -36.814 1.00 72.44 ATOM 1742 HG1 GLU 110 -12.760 -0.868 -36.373 1.00 36.42 ATOM 1743 HG2 GLU 110 -12.176 -1.726 -37.797 1.00 22.11 ATOM 1744 CD GLU 110 -10.779 -0.356 -36.962 1.00 40.54 ATOM 1745 OE1 GLU 110 -10.869 0.738 -36.364 1.00 31.12 ATOM 1746 OE2 GLU 110 -9.789 -0.659 -37.663 1.00 2.22 ATOM 1747 C GLU 110 -12.169 -4.764 -34.953 1.00 24.41 ATOM 1748 O GLU 110 -11.513 -4.739 -33.911 1.00 54.30 ATOM 1749 N HIS 111 -12.469 -5.894 -35.588 1.00 34.21 ATOM 1750 HN HIS 111 -13.056 -5.852 -36.371 1.00 36.42 ATOM 1751 CA HIS 111 -11.955 -7.199 -35.156 1.00 33.13 ATOM 1752 HA HIS 111 -11.058 -7.024 -34.575 1.00 12.52 ATOM 1753 CB HIS 111 -12.983 -7.923 -34.274 1.00 13.30 ATOM 1754 HB1 HIS 111 -12.659 -8.943 -34.110 1.00 36.42 ATOM 1755 HB2 HIS 111 -13.939 -7.936 -34.780 1.00 35.44 ATOM 1756 CG HIS 111 -13.179 -7.280 -32.933 1.00 73.52 ATOM 1757 ND1 HIS 111 -14.262 -6.485 -32.628 1.00 42.11 ATOM 1758 HD1 HIS 111 -14.994 -6.252 -33.240 1.00 32.25 ATOM 1759 CD2 HIS 111 -12.423 -7.321 -31.809 1.00 23.30 ATOM 1760 HD2 HIS 111 -11.487 -7.848 -31.683 1.00 61.32 ATOM 1761 CE1 HIS 111 -14.165 -6.066 -31.384 1.00 53.35 ATOM 1762 HE1 HIS 111 -14.870 -5.422 -30.878 1.00 11.35 ATOM 1763 NE2 HIS 111 -13.062 -6.558 -30.865 1.00 33.12 ATOM 1764 HE2 HIS 111 -12.796 -6.474 -29.922 1.00 36.42 ATOM 1765 C HIS 111 -11.585 -8.067 -36.369 1.00 11.44 ATOM 1766 O HIS 111 -12.443 -8.415 -37.181 1.00 52.01 ATOM 1767 N HIS 112 -10.304 -8.417 -36.478 1.00 50.41 ATOM 1768 HN HIS 112 -9.678 -8.149 -35.770 1.00 36.42 ATOM 1769 CA HIS 112 -9.799 -9.182 -37.624 1.00 61.24 ATOM 1770 HA HIS 112 -10.107 -8.663 -38.522 1.00 51.24 ATOM 1771 CB HIS 112 -8.268 -9.236 -37.592 1.00 43.34 ATOM 1772 HB1 HIS 112 -7.952 -9.840 -36.753 1.00 36.42 ATOM 1773 HB2 HIS 112 -7.881 -8.234 -37.470 1.00 33.40 ATOM 1774 CG HIS 112 -7.663 -9.815 -38.836 1.00 45.43 ATOM 1775 ND1 HIS 112 -7.222 -11.118 -38.929 1.00 31.33 ATOM 1776 HD1 HIS 112 -7.253 -11.791 -38.212 1.00 42.14 ATOM 1777 CD2 HIS 112 -7.429 -9.259 -40.050 1.00 4.25 ATOM 1778 HD2 HIS 112 -7.649 -8.242 -40.343 1.00 12.41 ATOM 1779 CE1 HIS 112 -6.747 -11.336 -40.136 1.00 21.11 ATOM 1780 HE1 HIS 112 -6.334 -12.268 -40.493 1.00 25.25 ATOM 1781 NE2 HIS 112 -6.860 -10.228 -40.837 1.00 65.41 ATOM 1782 HE2 HIS 112 -6.423 -10.069 -41.701 1.00 36.42 ATOM 1783 C HIS 112 -10.378 -10.606 -37.667 1.00 33.44 ATOM 1784 O HIS 112 -10.412 -11.239 -38.723 1.00 0.35 ATOM 1785 N HIS 113 -10.837 -11.105 -36.519 1.00 3.32 ATOM 1786 HN HIS 113 -10.752 -10.569 -35.700 1.00 36.42 ATOM 1787 CA HIS 113 -11.465 -12.434 -36.451 1.00 32.23 ATOM 1788 HA HIS 113 -10.901 -13.095 -37.096 1.00 54.45 ATOM 1789 CB HIS 113 -11.411 -12.979 -35.018 1.00 53.42 ATOM 1790 HB1 HIS 113 -11.937 -13.923 -34.978 1.00 36.42 ATOM 1791 HB2 HIS 113 -11.894 -12.277 -34.353 1.00 40.45 ATOM 1792 CG HIS 113 -10.018 -13.206 -34.516 1.00 72.22 ATOM 1793 ND1 HIS 113 -9.322 -14.376 -34.724 1.00 54.54 ATOM 1794 HD1 HIS 113 -9.653 -15.163 -35.209 1.00 40.13 ATOM 1795 CD2 HIS 113 -9.187 -12.404 -33.810 1.00 63.22 ATOM 1796 HD2 HIS 113 -9.402 -11.402 -33.466 1.00 30.31 ATOM 1797 CE1 HIS 113 -8.130 -14.285 -34.171 1.00 0.50 ATOM 1798 HE1 HIS 113 -7.371 -15.053 -34.177 1.00 73.05 ATOM 1799 NE2 HIS 113 -8.023 -13.100 -33.611 1.00 33.41 ATOM 1800 HE2 HIS 113 -7.189 -12.718 -33.260 1.00 36.42 ATOM 1801 C HIS 113 -12.920 -12.390 -36.959 1.00 54.23 ATOM 1802 O HIS 113 -13.853 -12.824 -36.278 1.00 12.32 ATOM 1803 N HIS 114 -13.097 -11.879 -38.176 1.00 41.52 ATOM 1804 HN HIS 114 -12.310 -11.579 -38.679 1.00 36.42 ATOM 1805 CA HIS 114 -14.419 -11.743 -38.794 1.00 43.44 ATOM 1806 HA HIS 114 -15.122 -11.453 -38.024 1.00 62.14 ATOM 1807 CB HIS 114 -14.359 -10.637 -39.862 1.00 53.33 ATOM 1808 HB1 HIS 114 -13.778 -10.993 -40.701 1.00 36.42 ATOM 1809 HB2 HIS 114 -13.867 -9.773 -39.440 1.00 54.22 ATOM 1810 CG HIS 114 -15.691 -10.187 -40.383 1.00 12.32 ATOM 1811 ND1 HIS 114 -16.196 -10.580 -41.604 1.00 42.11 ATOM 1812 HD1 HIS 114 -15.758 -11.192 -42.237 1.00 24.14 ATOM 1813 CD2 HIS 114 -16.610 -9.341 -39.857 1.00 2.52 ATOM 1814 HD2 HIS 114 -16.549 -8.838 -38.901 1.00 52.32 ATOM 1815 CE1 HIS 114 -17.359 -9.997 -41.807 1.00 62.31 ATOM 1816 HE1 HIS 114 -17.983 -10.120 -42.679 1.00 74.12 ATOM 1817 NE2 HIS 114 -17.634 -9.244 -40.764 1.00 14.42 ATOM 1818 HE2 HIS 114 -18.487 -8.785 -40.613 1.00 36.42 ATOM 1819 C HIS 114 -14.874 -13.084 -39.406 1.00 12.13 ATOM 1820 O HIS 114 -14.911 -13.245 -40.626 1.00 22.05 ATOM 1821 N HIS 115 -15.195 -14.047 -38.533 1.00 51.02 ATOM 1822 HN HIS 115 -15.195 -13.826 -37.576 1.00 36.42 ATOM 1823 CA HIS 115 -15.552 -15.420 -38.943 1.00 42.25 ATOM 1824 HA HIS 115 -15.747 -15.973 -38.035 1.00 54.23 ATOM 1825 CB HIS 115 -16.832 -15.428 -39.797 1.00 64.44 ATOM 1826 HB1 HIS 115 -16.914 -16.379 -40.305 1.00 36.42 ATOM 1827 HB2 HIS 115 -16.777 -14.638 -40.531 1.00 54.31 ATOM 1828 CG HIS 115 -18.083 -15.226 -38.994 1.00 32.30 ATOM 1829 ND1 HIS 115 -18.651 -13.990 -38.770 1.00 13.13 ATOM 1830 HD1 HIS 115 -18.316 -13.132 -39.105 1.00 34.33 ATOM 1831 CD2 HIS 115 -18.876 -16.119 -38.355 1.00 50.00 ATOM 1832 HD2 HIS 115 -18.732 -17.190 -38.313 1.00 53.32 ATOM 1833 CE1 HIS 115 -19.731 -14.132 -38.029 1.00 11.51 ATOM 1834 HE1 HIS 115 -20.375 -13.333 -37.693 1.00 73.14 ATOM 1835 NE2 HIS 115 -19.891 -15.410 -37.764 1.00 14.03 ATOM 1836 HE2 HIS 115 -20.521 -15.770 -37.098 1.00 36.42 ATOM 1837 C HIS 115 -14.403 -16.132 -39.684 1.00 62.23 ATOM 1838 O HIS 115 -14.614 -17.152 -40.343 1.00 21.35 ATOM 1839 N HIS 116 -13.186 -15.608 -39.547 1.00 25.11 ATOM 1840 HN HIS 116 -13.080 -14.796 -39.014 1.00 36.42 ATOM 1841 HA HIS 116 -12.337 -16.938 -40.895 1.00 23.22 ATOM 1842 CB HIS 116 -11.168 -15.138 -40.888 1.00 11.43 ATOM 1843 HB1 HIS 116 -10.882 -14.376 -40.177 1.00 36.42 ATOM 1844 HB2 HIS 116 -11.770 -14.687 -41.663 1.00 42.12 ATOM 1845 CG HIS 116 -9.918 -15.667 -41.527 1.00 53.42 ATOM 1846 ND1 HIS 116 -9.907 -16.304 -42.746 1.00 72.53 ATOM 1847 HD1 HIS 116 -10.691 -16.475 -43.311 1.00 52.01 ATOM 1848 CD2 HIS 116 -8.632 -15.651 -41.104 1.00 13.23 ATOM 1849 HD2 HIS 116 -8.265 -15.222 -40.182 1.00 44.04 ATOM 1850 CE1 HIS 116 -8.675 -16.659 -43.046 1.00 42.05 ATOM 1851 HE1 HIS 116 -8.367 -17.172 -43.945 1.00 1.03 ATOM 1852 NE2 HIS 116 -7.881 -16.275 -42.068 1.00 3.24 ATOM 1853 HE2 HIS 116 -6.899 -16.255 -42.117 1.00 36.42 ATOM 1854 CA HIS 116 -11.997 -16.214 -40.166 1.00 63.11 ATOM 1855 C HIS 116 -11.134 -16.942 -39.114 1.00 55.12 ATOM 1856 OT1 HIS 116 -11.211 -18.189 -39.025 1.00 36.42 ATOM 1857 OT2 HIS 116 -10.396 -16.262 -38.372 1.00 36.42 ATOM 1858 OH2 TIP3 1 -36.354 -9.732 -26.415 1.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -36.522 -10.521 -26.966 1.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -36.993 -9.817 -25.673 1.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -32.234 -13.696 -20.450 1.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -32.851 -13.091 -20.913 1.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -32.488 -13.617 -19.512 1.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -38.211 -8.639 -30.591 1.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -39.163 -8.691 -30.733 1.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -37.945 -9.572 -30.397 1.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -37.683 -11.249 -30.021 1.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -37.806 -12.082 -30.486 1.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -37.207 -11.500 -29.201 1.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -33.911 -11.573 -21.000 1.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -34.843 -11.532 -21.307 1.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -33.401 -11.186 -21.744 1.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -34.005 -10.871 -25.440 1.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -33.754 -11.248 -26.298 1.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -34.767 -10.296 -25.648 1.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -31.003 -11.307 -27.688 1.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -30.215 -11.103 -28.227 1.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -30.630 -11.576 -26.824 1.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -30.514 -10.988 -18.042 1.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -30.524 -10.002 -18.072 1.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -30.073 -11.199 -17.193 1.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -30.022 -11.811 -23.072 1.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -29.803 -11.981 -22.137 1.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -30.929 -11.448 -23.042 1.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -36.261 -12.123 -27.812 1.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -36.293 -12.880 -27.215 1.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -35.297 -11.979 -27.965 1.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -35.552 -8.060 -21.244 1.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -36.470 -8.404 -21.212 1.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -35.097 -8.539 -20.547 1.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -38.169 -10.226 -24.391 1.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -38.682 -9.384 -24.460 1.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -38.832 -10.887 -24.172 1.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -36.444 -11.039 -22.218 1.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -36.989 -10.464 -21.649 1.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -36.731 -10.815 -23.120 1.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -32.515 -10.615 -23.176 1.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -32.324 -9.678 -23.300 1.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -33.068 -10.852 -23.960 1.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -33.018 -12.035 -18.310 1.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -33.421 -11.711 -19.141 1.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -32.143 -11.590 -18.275 1.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -26.042 -16.726 -12.089 1.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -26.486 -17.423 -12.582 1.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -26.729 -16.022 -11.996 1.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -29.188 -12.042 -15.792 1.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -28.420 -12.289 -15.233 1.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -29.657 -12.898 -15.943 1.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -34.154 -9.333 -11.192 1.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -34.411 -8.428 -11.474 1.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -33.233 -9.429 -11.508 1.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -34.544 -9.362 -15.176 1.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -34.113 -10.234 -15.343 1.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -33.883 -8.863 -14.658 1.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -33.121 -7.426 -13.769 1.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -33.732 -7.057 -13.092 1.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -32.457 -7.923 -13.246 1.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -29.704 -13.075 -10.932 1.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -29.046 -12.369 -10.705 1.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -30.155 -12.731 -11.721 1.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -29.791 -10.665 -5.302 1.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -29.380 -10.039 -5.928 1.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -29.942 -11.459 -5.830 1.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -33.273 -11.756 -15.571 1.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -33.321 -11.916 -16.539 1.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -32.787 -12.514 -15.231 1.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -29.831 -9.996 -8.278 1.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -29.135 -10.225 -8.939 1.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -30.418 -10.780 -8.278 1.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -27.844 -14.733 -12.247 1.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -27.681 -14.111 -12.983 1.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -28.512 -14.280 -11.695 1.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -25.601 -11.741 -2.921 1.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -26.299 -11.101 -3.169 1.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -25.009 -11.763 -3.704 1.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -31.575 -9.109 -12.203 1.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -31.248 -9.941 -12.619 1.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -30.844 -8.825 -11.639 1.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -36.327 -9.441 -13.066 1.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -35.656 -9.717 -12.419 1.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -35.871 -9.515 -13.931 1.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -31.242 2.235 -44.044 1.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -32.027 2.214 -44.595 1.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -31.404 2.983 -43.422 1.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -32.575 5.357 -36.581 1.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -33.331 5.313 -37.209 1.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -32.824 6.068 -35.960 1.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -37.510 4.659 -38.290 1.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -38.489 4.690 -38.194 1.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -37.226 4.035 -37.590 1.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -28.702 1.789 -43.223 1.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -29.615 2.007 -43.534 1.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -28.531 0.917 -43.593 1.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -36.957 5.924 -40.637 1.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -37.201 5.501 -39.781 1.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -37.467 5.439 -41.292 1.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -36.842 3.077 -36.137 1.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -36.079 2.512 -35.899 1.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -36.716 3.895 -35.593 1.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -39.375 2.136 -36.132 1.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -38.412 2.336 -36.194 1.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -39.469 1.256 -36.559 1.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -40.286 -0.337 -37.023 1.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -40.309 -1.102 -36.403 1.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -40.363 -0.738 -37.895 1.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -34.638 1.713 -35.223 1.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -33.769 1.781 -35.652 1.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -34.572 2.323 -34.453 1.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -32.298 4.972 -39.792 1.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -33.185 5.026 -39.378 1.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -31.820 5.749 -39.434 1.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -36.314 5.406 -34.846 1.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -36.411 6.165 -35.454 1.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -35.702 5.739 -34.151 1.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -31.483 4.331 -42.351 1.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -31.895 4.528 -41.484 1.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -30.730 4.930 -42.397 1.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -34.934 7.651 -40.068 1.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -35.755 7.143 -40.285 1.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -34.624 7.971 -40.922 1.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -35.528 7.751 -36.117 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -35.254 8.405 -36.787 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -34.706 7.566 -35.611 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -34.248 9.409 -38.003 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -34.424 8.783 -38.738 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -33.379 9.127 -37.647 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -35.624 -0.117 -28.898 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -35.461 0.392 -29.715 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -35.492 -1.058 -29.170 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -41.998 2.435 -29.930 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -42.612 2.336 -30.667 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -42.505 2.104 -29.152 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -43.558 -5.544 -25.466 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -44.068 -4.708 -25.559 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -43.245 -5.731 -26.370 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -39.763 2.767 -28.079 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -40.621 2.553 -28.482 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -39.275 3.226 -28.788 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -43.809 -1.135 -27.650 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -43.918 -0.199 -27.902 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -43.333 -1.531 -28.410 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -44.853 -3.170 -26.019 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -45.605 -2.751 -25.592 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -44.502 -2.479 -26.618 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -43.980 4.167 -26.873 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -44.514 4.449 -26.127 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -43.274 4.849 -26.937 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -35.791 -6.010 -22.955 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -35.585 -6.824 -22.440 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -36.232 -5.431 -22.311 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -39.865 -8.111 -24.630 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -40.724 -7.827 -24.237 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -39.883 -7.740 -25.534 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -35.502 1.288 -31.404 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -35.355 0.621 -32.107 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -36.473 1.447 -31.424 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -42.132 -1.468 -33.395 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -42.409 -0.726 -33.976 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -41.314 -1.794 -33.808 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -41.251 6.181 -29.732 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -41.121 7.107 -29.440 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -41.539 5.721 -28.923 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -42.055 6.119 -26.950 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -41.876 7.024 -27.265 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -41.408 5.988 -26.216 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -41.151 -2.841 -25.288 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -40.548 -3.579 -25.100 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -41.435 -2.996 -26.214 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -43.386 1.681 -27.703 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -43.140 1.318 -26.825 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -43.715 2.589 -27.500 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -37.624 -1.153 -32.654 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -37.954 -0.267 -32.410 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -36.720 -0.985 -32.992 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -40.253 5.134 -22.352 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -40.327 4.178 -22.305 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -40.297 5.423 -21.414 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -42.207 -7.091 -23.717 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -42.696 -6.512 -24.349 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -42.821 -7.214 -22.989 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -38.090 -9.057 -21.082 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -38.796 -8.999 -21.736 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -38.478 -8.644 -20.274 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -35.050 -0.414 -33.542 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -34.172 -0.831 -33.542 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -35.010 0.225 -34.289 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -40.459 -2.522 -35.356 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -39.598 -2.912 -35.073 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -41.084 -3.252 -35.279 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -43.047 0.250 -25.389 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -43.190 -0.232 -24.543 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -43.347 -0.381 -26.073 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -41.394 -3.625 -27.945 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -41.837 -3.091 -28.641 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -41.828 -4.502 -28.005 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -44.073 -2.676 -31.923 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -44.715 -3.057 -32.526 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -43.436 -2.209 -32.512 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -42.357 -6.219 -27.889 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -42.739 -7.006 -28.290 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -41.459 -6.507 -27.598 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -38.183 1.227 -26.420 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -38.835 0.717 -25.896 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -38.735 1.784 -27.006 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -38.236 1.545 -31.642 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -38.916 1.504 -32.360 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -38.586 2.214 -31.028 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -38.104 -3.451 -34.397 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -37.229 -3.683 -34.720 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -37.934 -2.810 -33.680 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -39.074 -2.684 -30.835 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -38.703 -2.155 -31.568 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -38.402 -3.386 -30.686 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -40.916 -0.671 -17.216 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -41.183 -1.600 -17.162 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -40.066 -0.695 -17.707 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -29.587 -2.187 -33.277 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -30.412 -1.676 -33.403 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -29.048 -1.970 -34.066 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -38.189 4.562 -26.680 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -37.607 4.335 -27.430 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -38.940 3.949 -26.776 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -39.822 3.937 -30.690 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -40.151 4.829 -30.458 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -40.609 3.361 -30.590 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -40.151 5.867 -24.990 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -39.374 5.382 -25.331 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -40.177 5.637 -24.029 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -42.747 6.586 -32.068 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -42.067 6.384 -31.394 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -43.467 6.975 -31.564 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -40.193 4.190 -37.737 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -41.137 4.322 -37.593 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -39.969 3.427 -37.166 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -42.076 3.273 -35.507 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -41.141 3.387 -35.287 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -42.495 4.119 -35.226 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -37.798 -6.624 -28.777 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -36.972 -6.783 -28.262 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -37.866 -7.404 -29.368 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -42.922 5.710 -34.686 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -43.087 6.553 -35.114 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -42.861 5.932 -33.731 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -42.413 -2.051 -29.887 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -43.149 -2.283 -30.502 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -41.644 -1.958 -30.468 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -37.613 11.668 -30.209 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -37.920 12.518 -29.819 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -36.651 11.664 -30.039 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -41.222 1.787 -16.169 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -41.107 0.915 -16.618 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -42.082 2.096 -16.471 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -40.081 1.401 -33.613 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -40.949 1.025 -33.838 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -39.747 1.751 -34.465 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -42.278 0.565 -35.212 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -42.449 1.529 -35.321 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -41.723 0.336 -35.981 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -43.158 -1.680 -23.502 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -42.567 -2.264 -24.015 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -43.208 -2.093 -22.637 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -34.279 3.306 -33.065 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -34.468 4.264 -32.973 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -34.762 2.890 -32.322 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -38.273 -5.118 -19.276 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -37.600 -5.217 -18.564 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -37.787 -4.689 -20.007 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -39.910 -3.473 -17.732 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -39.418 -2.671 -17.999 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -39.497 -4.187 -18.256 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -40.299 -0.169 -25.255 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -41.186 0.238 -25.235 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -40.480 -1.128 -25.247 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -39.382 -7.635 -19.149 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -39.133 -6.691 -19.258 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -40.356 -7.613 -19.007 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -38.502 -1.195 -18.412 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -37.985 -0.985 -19.219 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -37.819 -1.276 -17.702 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -42.065 -7.451 -18.547 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -42.840 -7.911 -18.218 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -41.925 -6.721 -17.897 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -40.569 10.970 -32.336 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -40.514 10.828 -31.369 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -41.503 10.885 -32.535 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -31.866 -0.490 -33.574 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -31.958 0.089 -32.814 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -31.293 0.019 -34.194 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -37.210 -4.603 -30.498 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -36.910 -5.232 -31.183 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -37.537 -5.182 -29.773 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -35.356 -2.706 -29.664 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -34.607 -3.308 -29.707 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -36.122 -3.260 -29.921 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -34.347 -7.305 -30.033 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -33.580 -7.014 -30.563 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -35.111 -7.150 -30.619 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -32.292 -6.576 -31.810 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -32.465 -6.837 -32.721 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -31.713 -5.781 -31.894 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -40.333 5.570 -19.616 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -40.056 5.152 -18.795 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -40.454 6.518 -19.375 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -38.601 8.107 -25.271 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -39.043 8.981 -25.259 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -39.325 7.468 -25.101 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -33.570 -11.904 -28.178 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -32.653 -11.628 -27.926 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -33.464 -12.273 -29.061 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -35.520 -7.320 -27.485 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -35.649 -8.240 -27.163 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -34.938 -7.418 -28.272 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -39.049 -4.807 -25.184 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -38.104 -5.077 -25.329 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -39.304 -5.275 -24.372 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -36.515 -5.570 -25.535 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -36.131 -5.820 -24.663 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -36.059 -6.157 -26.175 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -36.433 -6.950 -31.839 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -36.509 -7.173 -32.772 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -37.041 -7.581 -31.390 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -39.842 -6.680 -27.019 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -39.598 -5.937 -26.430 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -39.127 -6.691 -27.697 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -36.510 8.992 -28.535 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -36.172 9.044 -29.457 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -37.063 8.197 -28.528 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -34.395 -6.792 -16.221 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -33.913 -6.651 -15.384 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -34.620 -7.744 -16.204 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -35.687 1.828 -11.586 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -36.135 1.142 -12.107 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -36.142 2.656 -11.841 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -32.575 2.277 -7.695 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -33.223 2.585 -8.377 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -32.963 2.581 -6.839 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -30.529 -5.726 -6.179 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -31.422 -5.352 -6.310 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -30.431 -5.766 -5.205 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -33.742 -8.471 -5.561 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -32.901 -8.409 -6.079 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -34.393 -8.784 -6.205 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -35.544 -5.866 -9.329 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -36.515 -5.907 -9.183 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -35.378 -4.932 -9.533 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -30.577 -7.696 -2.101 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -31.067 -7.952 -1.309 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -30.841 -8.359 -2.768 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -35.004 5.872 -9.828 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -34.626 6.529 -9.210 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -35.631 6.386 -10.370 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -31.366 -8.338 -6.747 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -30.961 -7.450 -6.808 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -30.818 -8.893 -7.342 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -33.368 2.970 -5.193 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -34.047 2.589 -4.633 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -32.628 3.162 -4.575 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -40.151 -5.454 -7.250 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -40.955 -4.935 -7.360 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -40.000 -5.462 -6.299 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -33.311 7.436 -8.196 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -32.663 6.743 -8.372 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -32.862 8.266 -8.488 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -30.133 3.310 -8.326 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -30.056 3.133 -9.270 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -31.040 3.007 -8.098 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -36.749 -0.210 -13.827 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -37.623 -0.655 -13.793 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -36.106 -0.933 -13.617 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -36.837 -1.590 -16.324 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -36.712 -0.939 -15.613 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -36.604 -2.447 -15.903 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -30.934 -5.410 -3.491 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -31.906 -5.500 -3.553 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -30.660 -6.178 -2.944 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -36.638 -5.446 -17.069 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -35.925 -6.095 -16.888 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -36.585 -4.818 -16.305 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -36.858 9.213 -13.195 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -36.707 8.432 -12.624 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -37.830 9.348 -13.161 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -32.867 7.951 -13.762 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -31.917 8.173 -13.788 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -33.184 8.134 -14.674 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -39.010 -6.844 -16.440 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -39.011 -7.394 -17.242 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -38.160 -6.374 -16.474 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -35.150 -2.280 -10.845 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -35.967 -2.730 -10.545 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -35.162 -2.396 -11.825 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -32.038 -1.076 -13.400 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -32.071 -0.499 -12.618 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -32.941 -1.419 -13.471 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -41.428 -5.563 -16.723 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -40.662 -6.043 -16.342 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -41.067 -4.683 -16.946 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -38.327 -6.049 -9.212 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -38.363 -7.026 -9.331 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -39.014 -5.864 -8.532 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -39.999 0.879 -13.812 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -39.854 -0.084 -13.885 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -40.558 1.099 -14.580 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -31.840 -1.471 -9.801 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -32.493 -0.950 -10.312 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -31.780 -1.003 -8.946 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -37.735 2.295 -14.153 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -37.152 1.505 -14.189 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -38.608 1.929 -13.870 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -34.266 5.579 -13.090 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -33.846 5.403 -12.240 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -33.851 6.414 -13.393 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -31.742 -0.265 -7.315 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -31.068 0.052 -6.681 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -32.241 0.548 -7.553 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -34.242 3.245 -9.605 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -34.584 4.162 -9.686 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -34.769 2.736 -10.250 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -37.051 6.830 -11.542 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -36.826 5.984 -11.987 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -37.895 6.653 -11.116 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -38.016 -4.236 -13.172 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -38.046 -5.209 -13.091 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -37.252 -4.069 -13.781 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -36.636 4.281 -12.621 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -35.795 4.608 -13.014 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -37.025 3.707 -13.318 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -37.348 -3.862 -10.524 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -37.621 -3.893 -11.466 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -37.848 -4.592 -10.106 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -37.988 -8.728 -9.606 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -38.149 -9.601 -9.977 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -37.094 -8.798 -9.204 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -34.607 -7.511 -1.663 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -33.943 -8.200 -1.443 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -35.315 -7.657 -1.032 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -31.253 -2.822 -6.546 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -31.527 -1.946 -6.900 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -32.097 -3.299 -6.404 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -37.781 5.824 -16.399 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -36.958 5.438 -16.085 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -38.428 5.080 -16.353 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -39.196 3.561 -16.107 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -38.610 3.109 -15.469 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -39.980 2.973 -16.169 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -39.002 -1.787 -14.161 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -38.753 -2.614 -13.693 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -39.204 -2.078 -15.061 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -39.900 10.284 -15.965 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -40.406 10.507 -16.778 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -39.227 9.635 -16.276 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -32.174 7.724 -5.617 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -32.615 7.809 -6.485 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -32.770 7.170 -5.105 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -29.910 1.161 -5.776 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -30.089 1.748 -6.530 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -29.591 1.767 -5.076 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -33.639 -0.019 -11.227 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -34.240 0.753 -11.230 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -34.230 -0.783 -11.032 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -33.159 -4.750 -6.125 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -33.796 -5.148 -6.732 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -33.389 -5.133 -5.249 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -33.562 -6.269 -3.877 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -33.667 -7.064 -4.445 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -33.984 -6.530 -3.025 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -31.646 9.436 -8.879 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -30.755 9.082 -8.673 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -31.504 10.000 -9.667 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -32.735 -9.482 -1.166 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -32.485 -10.295 -0.719 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -32.478 -9.634 -2.106 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -30.356 -11.344 -13.248 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -30.253 -11.476 -14.207 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -29.426 -11.251 -12.918 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -35.355 -8.641 -8.761 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -35.251 -7.675 -8.861 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -34.826 -9.016 -9.495 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -34.946 -6.801 -11.863 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -35.843 -6.759 -12.264 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -35.057 -6.373 -10.990 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -37.597 -7.030 -12.561 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -37.312 -7.894 -12.936 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -38.204 -7.271 -11.851 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -38.210 8.405 -16.987 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -37.295 8.701 -17.080 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -38.129 7.447 -16.748 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -29.727 11.961 -40.998 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -30.235 12.480 -40.332 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -30.022 12.311 -41.844 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -29.607 15.174 -40.013 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -30.265 14.624 -39.546 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -29.910 16.097 -39.858 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -36.162 22.242 -37.445 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -35.629 21.421 -37.523 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -36.494 22.390 -38.332 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -33.616 14.784 -37.325 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -33.740 14.088 -37.994 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -33.369 14.291 -36.519 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -32.478 22.538 -32.908 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -33.228 23.142 -33.097 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -32.036 22.426 -33.777 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -33.512 12.075 -38.037 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -33.531 12.195 -37.064 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -33.907 11.186 -38.174 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -34.771 19.880 -37.928 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -34.482 19.670 -37.014 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -34.347 19.198 -38.468 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -37.890 21.835 -33.369 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -38.492 21.260 -32.882 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -37.033 21.732 -32.908 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -34.741 16.519 -35.512 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -34.461 16.082 -36.342 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -34.571 17.473 -35.674 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -33.733 19.038 -35.559 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -32.826 18.671 -35.565 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -33.864 19.345 -34.636 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -38.071 12.023 -32.852 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -38.953 11.609 -32.976 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -37.831 11.792 -31.929 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -34.138 19.518 -32.863 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -34.718 20.278 -32.613 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -33.290 19.719 -32.437 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -33.008 17.381 -38.220 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -33.266 16.440 -38.173 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -32.508 17.530 -37.390 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -33.307 12.649 -35.374 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -34.011 12.417 -34.730 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -32.538 12.108 -35.093 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -31.003 11.111 -35.204 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -30.252 10.601 -34.849 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -30.598 11.689 -35.875 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -30.968 6.968 -38.304 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -31.204 6.285 -37.649 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -31.178 7.810 -37.851 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -34.624 5.513 -38.375 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -34.718 6.337 -38.901 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -35.543 5.211 -38.246 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -40.172 12.887 -27.766 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -39.636 13.359 -28.445 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -39.671 13.018 -26.936 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -34.630 11.461 -27.613 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -35.546 11.737 -27.397 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -34.522 11.711 -28.554 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -40.018 17.121 -27.622 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -39.458 17.930 -27.540 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -39.419 16.458 -28.002 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -35.779 21.646 -29.242 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -35.606 21.542 -28.286 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -36.731 21.425 -29.338 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -40.222 17.451 -20.788 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -39.580 17.573 -20.063 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -40.655 18.321 -20.871 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -42.325 22.163 -22.063 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -43.088 22.744 -22.152 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -42.032 22.004 -22.996 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -42.219 10.538 -26.547 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -42.587 11.337 -26.983 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -42.493 10.631 -25.608 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -38.014 21.742 -26.025 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -38.163 22.324 -25.245 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -37.035 21.690 -26.104 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -35.356 21.346 -26.553 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -34.975 20.466 -26.343 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -34.668 21.969 -26.294 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -38.206 17.333 -31.227 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -37.239 17.468 -31.323 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -38.347 16.416 -31.532 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -35.584 17.281 -31.931 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -35.164 18.052 -32.367 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -35.635 16.605 -32.631 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -42.550 18.081 -27.957 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -42.364 19.020 -27.770 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -41.663 17.671 -28.031 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -41.328 20.467 -27.026 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -40.483 19.973 -27.049 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -41.108 21.330 -27.431 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -41.650 17.139 -25.353 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -42.289 17.799 -25.657 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -41.091 16.970 -26.141 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -38.972 23.582 -24.231 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -39.147 23.280 -23.310 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -38.566 24.468 -24.115 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -41.752 19.786 -20.815 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -42.430 19.139 -21.104 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -42.044 20.636 -21.215 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -38.784 19.525 -27.359 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -38.449 20.179 -26.707 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -38.517 19.899 -28.226 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -31.808 20.452 -31.344 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -32.355 20.464 -30.544 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -32.064 21.283 -31.826 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -32.236 23.604 -21.146 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -32.374 22.654 -21.011 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -32.224 23.975 -20.241 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -39.180 20.462 -20.269 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -38.922 19.814 -19.586 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -40.142 20.307 -20.394 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -42.749 10.978 -23.904 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -42.716 10.197 -23.341 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -42.142 11.619 -23.460 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -44.102 13.424 -25.086 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -43.998 12.548 -24.688 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -43.740 13.322 -25.990 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -42.885 13.052 -27.520 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -41.914 13.070 -27.674 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -43.183 13.960 -27.759 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -39.576 10.686 -25.655 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -39.458 11.606 -25.338 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -40.481 10.676 -26.031 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -43.809 15.629 -27.846 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -44.751 15.816 -27.823 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -43.389 16.514 -27.901 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -38.860 13.353 -25.233 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -37.893 13.370 -25.104 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -39.151 14.252 -24.955 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -38.450 21.117 -29.531 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -38.898 20.673 -30.290 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -39.113 21.752 -29.199 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -37.971 14.711 -32.164 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -37.147 14.919 -32.661 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -38.227 13.826 -32.494 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -38.701 18.227 -18.580 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -39.313 17.872 -17.901 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -37.884 18.398 -18.093 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -34.850 11.699 -30.357 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -34.670 12.194 -31.169 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -34.846 10.759 -30.643 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -39.904 22.744 -27.741 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -39.178 22.465 -27.138 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -40.006 23.688 -27.568 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -40.147 17.512 -16.349 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -40.944 18.027 -16.176 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -40.421 16.582 -16.171 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -39.608 22.836 -21.674 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -40.573 22.687 -21.694 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -39.261 22.082 -21.153 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -35.491 21.725 -31.969 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -35.522 21.789 -30.987 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -35.196 22.615 -32.260 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -39.654 19.624 -31.435 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -39.090 18.816 -31.345 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -40.497 19.286 -31.751 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -41.361 21.937 -24.568 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -40.528 22.433 -24.663 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -41.386 21.356 -25.351 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -36.341 26.253 -34.262 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -36.598 25.394 -34.662 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -36.973 26.877 -34.619 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -37.645 24.707 -21.074 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -38.384 24.075 -21.178 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -37.659 25.227 -21.898 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -37.367 11.266 -27.287 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -37.178 10.414 -27.737 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -38.157 11.079 -26.744 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -38.520 14.110 -29.540 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -38.328 14.454 -30.440 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -37.964 14.667 -28.946 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -36.571 6.872 -26.456 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -36.804 5.925 -26.381 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -37.315 7.336 -25.998 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -37.026 28.600 -23.248 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -36.188 28.101 -23.345 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -36.780 29.380 -22.749 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -37.576 19.809 -22.428 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -38.138 20.113 -21.694 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -37.713 18.851 -22.454 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -34.794 24.039 -33.328 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -34.954 24.997 -33.256 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -35.382 23.759 -34.061 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -37.914 18.947 -15.534 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -38.723 18.486 -15.829 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -37.980 18.933 -14.550 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -36.822 23.677 -35.183 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -36.585 23.189 -36.006 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -37.352 23.032 -34.666 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -42.894 17.354 -21.588 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -41.991 17.082 -21.332 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -43.079 16.833 -22.398 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -35.483 18.068 -16.374 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -36.362 18.306 -15.999 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -35.300 17.175 -16.008 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -44.431 15.004 -21.230 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -44.281 15.921 -20.952 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -44.132 14.988 -22.160 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -43.315 15.648 -23.723 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -43.661 14.881 -24.238 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -42.707 16.097 -24.347 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -39.366 15.897 -24.369 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -38.843 16.332 -23.667 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -40.206 16.400 -24.391 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -44.577 13.006 -19.422 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -45.474 12.676 -19.512 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -44.493 13.674 -20.144 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -40.945 12.497 -22.528 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -40.854 12.712 -21.578 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -40.275 13.039 -22.960 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -40.351 8.144 -18.718 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -40.751 9.032 -18.707 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -39.566 8.228 -18.142 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -39.564 9.622 -13.332 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -40.241 8.974 -13.118 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -39.714 9.824 -14.280 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -34.912 26.890 -23.734 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -34.537 27.056 -24.603 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -34.178 26.450 -23.239 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -29.808 23.025 -23.444 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -29.992 23.980 -23.490 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -29.919 22.809 -22.499 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -32.619 25.691 -22.890 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -32.638 24.883 -22.332 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -31.666 25.881 -22.995 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -35.380 11.984 -33.659 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -35.239 11.011 -33.687 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -36.347 12.079 -33.519 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -35.699 14.941 -33.591 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -35.435 15.425 -34.410 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -35.377 14.033 -33.734 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -35.205 9.239 -33.737 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -34.451 8.610 -33.770 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -35.796 8.932 -34.446 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -32.031 8.831 -36.472 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -31.705 9.650 -36.047 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -32.448 8.328 -35.731 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -37.604 25.932 -23.577 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -37.831 26.882 -23.499 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -36.635 25.932 -23.691 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -41.342 8.607 -28.292 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -40.850 9.243 -28.852 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -41.759 9.174 -27.608 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -40.128 10.731 -29.561 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -39.183 10.894 -29.776 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -40.337 11.413 -28.886 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -41.185 10.833 -18.312 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -41.014 11.523 -18.987 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -42.038 11.092 -17.918 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -35.678 24.724 -19.182 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -36.397 24.741 -19.857 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -35.275 23.842 -19.285 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -36.711 13.659 -11.625 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -36.428 12.968 -12.265 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -36.327 13.377 -10.790 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -38.274 14.782 -14.984 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -39.166 15.111 -15.191 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -37.972 15.350 -14.248 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -31.965 18.630 -15.664 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -32.284 17.963 -15.033 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -31.636 18.097 -16.434 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -38.250 18.302 -12.929 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -38.495 18.459 -12.014 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -37.721 17.474 -12.898 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -29.716 23.530 -18.293 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -30.614 23.932 -18.295 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -29.721 22.940 -17.512 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -33.794 16.828 -18.154 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -34.307 17.427 -17.583 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -32.860 17.060 -17.971 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -40.618 13.187 -19.758 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -41.293 13.547 -19.143 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -39.893 13.824 -19.712 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -42.516 13.749 -17.788 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -42.730 13.034 -17.149 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -43.265 13.725 -18.425 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -34.000 16.171 -12.898 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -33.404 15.403 -12.755 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -33.411 16.952 -12.786 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -32.326 23.172 -14.152 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -32.360 22.394 -14.744 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -33.006 23.774 -14.517 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -34.165 22.383 -18.733 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -33.597 21.795 -19.272 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -34.625 21.771 -18.117 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -34.247 24.328 -15.793 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -34.153 25.188 -16.249 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -34.828 23.821 -16.367 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -32.484 21.227 -16.039 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -33.421 21.261 -16.306 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -32.309 20.266 -15.907 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -37.728 11.265 -18.059 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -38.467 10.802 -18.473 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -37.472 11.949 -18.719 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -40.825 12.425 -14.507 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -40.356 11.740 -15.033 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -40.399 12.388 -13.639 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -35.947 11.773 -13.436 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -36.308 10.864 -13.318 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -36.253 12.040 -14.330 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -32.339 24.436 -18.464 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -33.022 23.738 -18.370 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -32.792 25.253 -18.171 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -35.283 20.721 -16.884 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -36.186 20.902 -16.589 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -35.187 19.749 -16.775 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -40.973 14.945 -15.836 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -41.542 14.683 -16.593 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -40.971 14.155 -15.259 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -29.677 18.448 -14.154 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -30.413 18.618 -14.773 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -28.910 18.888 -14.571 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -32.158 18.252 -12.765 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -31.209 18.154 -12.983 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -32.253 19.184 -12.541 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -36.802 16.020 -12.909 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -35.840 16.212 -12.878 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -36.897 15.202 -12.365 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -34.934 15.551 -15.405 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -35.639 14.899 -15.269 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -34.596 15.732 -14.500 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -36.926 12.654 -15.895 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -37.446 12.262 -16.631 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -37.485 13.405 -15.579 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -31.301 10.657 -11.334 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -30.911 9.989 -11.923 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -32.100 10.958 -11.813 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -33.300 11.129 -13.184 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -33.320 10.187 -13.420 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -34.238 11.412 -13.246 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -42.932 11.656 -16.135 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -42.304 11.890 -15.418 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -43.634 11.173 -15.687 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -16.221 -16.254 -48.964 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -17.124 -16.512 -48.683 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -15.722 -17.101 -48.965 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -22.210 -16.208 -45.246 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -21.564 -16.806 -44.821 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -21.674 -15.463 -45.564 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -17.887 -13.933 -45.581 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -18.169 -13.627 -44.708 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -18.218 -14.859 -45.627 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -24.766 -16.644 -44.467 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -25.292 -16.284 -45.188 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -23.830 -16.492 -44.752 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -17.708 -20.201 -43.326 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -17.405 -19.381 -43.773 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -18.673 -20.229 -43.500 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -9.595 -21.583 -38.262 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -10.005 -22.368 -37.851 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -9.435 -20.984 -37.518 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -23.881 -15.865 -41.844 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -24.436 -16.080 -42.619 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -23.377 -16.692 -41.678 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -24.896 -20.848 -45.940 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -24.470 -21.070 -46.774 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -25.631 -21.468 -45.875 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -15.783 -12.593 -46.688 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -16.576 -13.091 -46.382 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -16.127 -11.978 -47.351 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -15.059 -15.914 -44.923 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -15.643 -15.187 -44.672 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -14.785 -15.694 -45.840 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -16.622 -18.018 -36.743 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -17.254 -18.617 -37.199 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -15.802 -18.552 -36.674 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -20.211 -12.696 -42.859 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -20.317 -11.819 -42.440 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -21.080 -13.130 -42.724 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -24.570 -19.299 -43.714 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -24.597 -19.837 -44.539 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -24.748 -18.383 -44.020 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -24.181 -17.052 -36.844 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -24.127 -16.386 -37.575 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -25.055 -17.443 -36.949 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -19.457 -11.916 -46.845 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -18.815 -12.617 -46.642 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -20.309 -12.279 -46.531 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -24.055 -15.307 -38.905 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -23.618 -14.469 -38.666 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -24.007 -15.338 -39.878 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -19.714 -10.039 -49.195 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -19.861 -10.920 -48.821 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -19.465 -9.493 -48.423 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -17.856 -9.519 -51.094 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -18.567 -9.675 -50.430 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -18.330 -9.331 -51.907 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -17.487 -21.770 -41.126 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -16.790 -21.462 -40.533 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -17.467 -21.130 -41.877 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -20.437 -20.661 -43.559 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -20.930 -20.659 -42.705 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -20.519 -21.570 -43.876 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -21.745 -20.768 -41.135 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -22.375 -21.525 -41.163 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -21.096 -21.023 -40.440 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -20.632 -17.921 -43.692 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -20.539 -18.888 -43.831 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -21.298 -17.850 -42.973 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -18.505 -17.260 -47.821 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -18.715 -18.197 -47.792 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -18.730 -16.935 -46.929 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -18.069 -19.859 -38.148 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -18.842 -20.248 -38.598 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -17.504 -20.633 -37.939 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -18.782 -16.514 -45.156 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -19.441 -16.913 -44.546 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -17.988 -17.089 -45.057 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -19.193 -11.385 -39.519 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -19.765 -11.171 -40.282 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -19.586 -10.868 -38.772 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -22.691 -18.354 -41.945 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -22.354 -19.127 -41.436 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -23.367 -18.743 -42.543 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -18.324 -23.644 -42.992 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -18.010 -23.074 -42.259 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -18.819 -24.341 -42.553 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -16.679 -18.198 -44.922 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -16.326 -18.885 -45.534 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -15.966 -17.525 -44.883 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -24.612 -11.286 -38.203 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -24.001 -12.007 -37.944 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -25.446 -11.733 -38.368 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -21.494 -17.606 -37.006 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -21.423 -18.565 -37.011 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -22.455 -17.437 -36.912 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -23.591 -22.783 -41.360 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -24.344 -22.183 -41.571 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -24.010 -23.618 -41.141 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -14.485 -19.716 -37.093 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -14.303 -19.636 -38.053 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -14.177 -20.616 -36.866 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -25.619 -21.081 -41.945 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -26.421 -20.642 -41.653 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -25.207 -20.440 -42.566 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -14.244 -22.099 -39.447 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -14.113 -22.541 -40.295 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -13.932 -21.176 -39.607 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -12.148 -16.203 -47.071 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -12.202 -16.862 -47.771 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -12.923 -15.616 -47.235 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -14.487 -14.903 -47.423 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -15.121 -15.294 -48.075 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -14.829 -13.997 -47.271 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -13.209 -22.202 -36.857 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -13.394 -22.359 -37.805 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -12.318 -22.595 -36.718 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -15.811 -20.303 -46.463 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -14.860 -20.472 -46.616 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -16.150 -21.150 -46.090 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -16.952 -22.292 -44.997 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -17.153 -21.528 -44.425 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -17.380 -23.043 -44.543 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -14.760 -8.717 -44.688 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -13.952 -8.634 -45.239 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -14.459 -8.465 -43.783 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -22.840 -13.519 -42.853 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -23.477 -12.869 -42.537 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -23.177 -14.374 -42.503 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -20.472 -10.041 -37.561 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -20.703 -9.141 -37.292 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -20.923 -10.609 -36.898 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -21.313 -13.394 -45.293 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -20.695 -13.111 -44.592 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -22.158 -13.507 -44.826 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -14.274 -8.660 -48.194 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -14.869 -7.930 -48.385 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -14.622 -9.401 -48.740 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -16.817 -13.939 -27.702 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -17.478 -13.532 -27.115 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -16.084 -13.280 -27.725 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -23.349 -13.674 -27.898 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -22.802 -13.700 -27.081 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -24.230 -14.008 -27.606 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -14.958 -11.965 -27.714 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -14.938 -11.247 -28.368 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -14.021 -12.245 -27.641 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -22.261 -14.672 -32.681 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -22.800 -14.261 -31.970 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -22.835 -15.388 -33.032 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -25.829 -12.482 -22.718 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -24.922 -12.321 -22.451 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -26.348 -12.356 -21.893 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -18.309 -11.952 -26.276 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -18.871 -12.082 -25.481 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -17.495 -11.563 -25.929 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -18.634 -11.146 -28.920 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -19.334 -10.463 -29.020 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -18.616 -11.339 -27.956 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -18.187 -13.543 -30.126 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -17.792 -14.002 -29.358 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -18.461 -12.669 -29.765 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -15.353 -18.039 -25.998 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -16.135 -18.591 -26.077 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -14.840 -18.449 -25.296 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -18.784 -23.641 -37.999 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -17.931 -23.161 -37.934 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -18.744 -24.290 -37.292 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -25.788 -14.554 -27.041 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -26.401 -15.244 -27.308 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -26.227 -14.126 -26.275 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -19.538 -12.252 -23.799 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -18.600 -12.437 -23.559 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -19.939 -11.942 -22.958 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -22.951 -10.674 -19.090 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -22.928 -10.698 -18.113 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -23.318 -11.547 -19.337 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -16.511 -22.112 -37.788 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -15.692 -22.182 -38.318 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -16.200 -22.180 -36.853 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -20.402 -9.195 -29.598 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -20.423 -9.027 -30.552 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -20.598 -8.328 -29.201 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -27.027 -11.414 -17.640 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -27.821 -11.472 -17.084 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -26.284 -11.496 -17.004 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -21.516 -13.323 -17.577 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -21.972 -13.444 -18.431 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -22.100 -12.687 -17.085 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -18.488 -6.965 -30.167 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -18.915 -7.014 -31.047 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -19.223 -6.766 -29.560 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -28.307 -10.955 -28.131 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -28.496 -11.201 -27.200 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -27.356 -11.139 -28.239 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -16.644 -13.051 -36.005 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -16.820 -14.000 -35.799 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -15.726 -12.912 -35.722 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -15.890 -12.274 -31.107 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -16.229 -12.013 -31.971 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -16.630 -12.776 -30.702 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -26.093 -14.717 -19.601 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -25.862 -14.605 -18.659 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -26.508 -13.869 -19.849 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -13.525 -19.483 -39.635 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -14.021 -18.767 -40.087 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -12.634 -19.093 -39.479 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -29.376 -14.760 -18.786 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -29.010 -13.984 -19.237 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -29.743 -15.309 -19.517 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -14.620 -15.562 -26.913 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -14.874 -16.468 -26.632 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -15.459 -15.157 -27.203 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -13.918 -23.041 -16.368 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -14.414 -23.847 -16.516 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -13.003 -23.325 -16.338 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -19.514 -13.998 -32.536 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -19.125 -13.977 -31.636 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -20.434 -14.306 -32.396 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -20.356 -11.429 -21.216 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -21.198 -11.366 -20.750 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -19.706 -11.100 -20.573 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -11.066 -15.208 -23.881 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -10.283 -14.765 -24.269 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -11.822 -14.812 -24.357 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -22.506 -11.175 -28.536 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -21.547 -11.210 -28.646 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -22.766 -12.112 -28.376 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -23.603 -7.314 -28.730 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -24.550 -7.075 -28.878 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -23.513 -7.333 -27.750 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -21.936 -13.501 -25.523 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -21.144 -13.094 -25.133 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -22.254 -14.099 -24.842 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -19.342 -12.906 -34.988 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -19.272 -13.213 -34.050 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -18.415 -12.765 -35.263 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -17.224 -15.646 -35.578 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -16.933 -16.520 -35.934 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -17.796 -15.874 -34.834 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -29.806 -12.314 -20.306 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -30.598 -12.882 -20.398 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -30.002 -11.758 -19.514 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -21.451 -14.678 -35.445 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -21.859 -14.860 -34.577 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -20.740 -14.039 -35.243 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -23.732 -13.451 -30.683 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -23.510 -13.667 -29.753 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -24.575 -12.988 -30.622 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -22.602 -10.636 -32.953 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -22.678 -11.548 -32.646 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -22.912 -10.103 -32.193 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -22.840 -13.213 -37.337 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -22.527 -12.423 -36.846 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -22.567 -13.962 -36.770 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -28.414 -16.533 -16.929 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -27.959 -17.214 -17.425 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -28.634 -15.854 -17.599 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -23.584 -16.612 -34.118 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -23.576 -17.550 -33.911 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -23.732 -16.582 -35.084 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -23.686 -13.288 -19.405 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -24.221 -13.847 -19.994 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -24.061 -13.464 -18.511 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -16.871 -12.404 -23.103 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -15.962 -12.754 -23.189 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -16.798 -11.727 -22.400 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -19.741 -21.615 -39.523 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -19.042 -21.722 -40.200 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -19.619 -22.393 -38.932 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -17.984 -16.072 -17.382 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -17.748 -16.919 -16.931 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -17.221 -15.889 -17.962 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -11.140 -16.371 -35.768 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -10.895 -16.280 -36.716 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -11.518 -17.271 -35.709 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -20.190 -7.345 -32.368 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -19.776 -7.839 -33.100 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -21.023 -7.004 -32.751 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -25.705 -10.315 -29.102 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -24.917 -10.145 -29.652 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -26.386 -9.718 -29.472 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -14.123 -13.057 -23.064 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -13.506 -12.335 -22.815 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -13.761 -13.400 -23.913 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -13.198 -13.481 -31.385 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -14.153 -13.453 -31.199 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -12.867 -14.227 -30.843 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -11.957 -15.448 -29.840 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -11.323 -15.123 -29.166 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -12.574 -15.996 -29.335 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -10.528 -14.673 -27.520 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -9.856 -14.290 -26.930 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -10.601 -15.611 -27.215 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -10.494 -16.338 -32.137 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -11.162 -16.378 -32.830 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -10.985 -16.038 -31.345 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -15.437 -22.345 -35.315 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -14.519 -22.371 -35.657 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -15.341 -22.084 -34.396 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -14.488 -10.275 -29.896 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -14.895 -11.043 -30.362 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -15.254 -9.666 -29.734 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -30.624 -15.844 -20.953 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -31.270 -15.108 -20.873 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -31.029 -16.448 -21.578 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -27.055 -12.212 -20.255 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -28.016 -12.138 -20.425 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -26.939 -11.808 -19.359 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -29.170 -11.903 -25.653 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -29.521 -11.762 -24.741 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -28.412 -12.507 -25.520 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -27.147 -13.583 -24.835 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -26.596 -13.071 -24.195 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -27.656 -14.183 -24.276 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -21.648 -11.459 -35.540 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -22.046 -11.057 -34.737 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -20.848 -11.918 -35.207 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -12.237 -10.982 -31.331 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -12.965 -10.569 -30.826 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -12.524 -11.920 -31.437 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -18.822 -18.690 -8.556 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -18.911 -19.471 -7.960 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -19.719 -18.546 -8.892 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -25.545 -13.608 -7.101 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -25.958 -14.270 -7.668 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -25.766 -12.750 -7.538 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -19.291 -18.817 -4.566 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -18.482 -19.101 -4.082 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -19.708 -18.159 -3.963 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -16.939 -17.091 -7.359 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -16.823 -17.556 -6.522 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -17.610 -17.625 -7.840 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -23.051 -16.533 -2.499 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -23.483 -15.651 -2.518 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -23.636 -17.097 -3.051 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -24.244 -15.092 -5.162 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -24.299 -14.546 -4.349 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -24.739 -14.573 -5.833 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -27.048 -12.846 -14.151 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -26.321 -12.433 -14.685 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -27.247 -12.166 -13.449 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -17.314 -18.040 -15.667 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -17.548 -17.723 -14.768 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -17.243 -18.995 -15.569 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -11.586 -21.681 -3.053 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -12.263 -22.357 -2.817 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -10.835 -21.900 -2.500 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -14.035 -17.259 -18.468 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -14.769 -16.624 -18.392 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -14.343 -18.038 -17.992 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -19.256 -17.766 -0.316 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -18.640 -17.098 0.060 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -19.939 -17.877 0.378 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -21.908 -16.957 -8.373 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -22.700 -17.016 -8.956 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -21.476 -16.126 -8.647 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -22.103 -17.808 -5.792 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -21.303 -18.312 -5.587 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -22.059 -17.665 -6.766 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -26.401 -19.154 -3.123 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -25.724 -18.650 -3.628 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -27.150 -19.207 -3.720 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -24.211 -14.041 -2.559 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -23.559 -13.547 -2.014 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -24.965 -13.414 -2.640 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -23.839 -16.675 -10.374 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -24.719 -16.795 -10.791 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -23.295 -16.314 -11.079 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -31.040 -12.480 -8.584 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -31.910 -12.783 -8.859 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -30.443 -12.784 -9.300 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -10.681 -14.096 -3.023 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -10.942 -14.083 -3.973 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -11.093 -13.304 -2.656 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -13.304 -23.615 -2.203 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -13.289 -24.572 -2.137 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -14.253 -23.383 -2.104 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -15.998 -23.110 -2.057 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -16.872 -22.990 -2.487 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -16.186 -22.968 -1.098 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -15.659 -14.934 -18.404 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -15.117 -14.680 -19.185 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -16.222 -14.148 -18.237 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -24.509 -17.696 -4.446 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -24.634 -16.762 -4.723 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -23.707 -17.979 -4.936 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -17.401 -17.618 -10.839 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -17.777 -18.106 -10.085 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -16.487 -17.967 -10.922 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -17.432 -19.847 0.231 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -16.654 -19.379 -0.131 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -18.172 -19.234 0.069 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -16.115 -22.114 -6.565 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -15.514 -21.379 -6.812 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -17.000 -21.738 -6.659 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -18.268 -8.813 -0.847 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -18.937 -9.261 -0.276 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -18.807 -8.230 -1.421 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -19.185 -20.625 -6.628 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -19.242 -20.024 -5.852 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -19.707 -21.393 -6.370 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -25.081 -19.494 -0.791 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -25.584 -19.339 -1.626 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -25.395 -20.349 -0.485 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -18.121 -16.741 -13.335 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -17.940 -17.063 -12.420 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -19.034 -16.380 -13.286 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -26.099 -11.352 -8.492 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -26.945 -11.306 -9.003 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -25.422 -11.063 -9.136 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -24.911 -14.098 -17.113 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -24.947 -13.255 -16.595 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -24.868 -14.786 -16.437 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -21.261 -17.789 1.608 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -22.041 -17.662 1.015 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -21.585 -18.373 2.301 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -11.636 -13.905 -5.568 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -11.023 -14.095 -6.309 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -12.370 -14.532 -5.707 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -17.129 -12.663 -17.580 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -16.302 -12.161 -17.478 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -17.649 -12.141 -18.214 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -17.349 -14.775 -15.031 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -17.515 -15.456 -14.337 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -17.547 -15.242 -15.872 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -27.143 -9.428 -6.543 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -26.686 -9.963 -7.214 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -26.781 -8.517 -6.672 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -24.829 -14.634 -13.628 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -25.596 -14.049 -13.773 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -25.187 -15.367 -13.096 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -18.367 -22.009 -2.937 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -19.047 -21.927 -2.264 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -17.977 -21.115 -2.995 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -14.446 -22.167 -9.089 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -14.220 -21.454 -8.459 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -14.937 -22.805 -8.554 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -31.852 -9.621 -3.733 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -31.151 -9.996 -4.311 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -32.519 -9.276 -4.361 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -23.492 -10.891 1.073 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -23.075 -10.295 1.735 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -23.768 -11.679 1.604 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -19.582 -12.077 -1.925 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -19.864 -12.325 -1.015 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -20.119 -11.282 -2.131 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -22.442 -13.495 -14.404 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -22.727 -12.801 -15.039 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -23.288 -13.881 -14.081 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -24.504 -15.237 0.966 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -25.196 -15.200 0.299 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -24.007 -16.052 0.749 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -20.503 -15.654 -16.482 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -21.027 -15.066 -17.060 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -19.727 -15.901 -17.028 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -20.470 -15.321 -13.841 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -21.247 -14.733 -13.731 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -20.602 -15.722 -14.731 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -23.391 -17.532 -0.032 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -23.161 -17.185 -0.924 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -24.026 -18.266 -0.220 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -20.207 -15.245 1.488 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -19.266 -15.461 1.330 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -20.621 -16.109 1.680 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -13.940 -14.441 -20.614 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -13.634 -15.256 -21.034 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -14.192 -13.867 -21.369 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -20.287 -17.004 -2.820 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -19.896 -17.239 -1.950 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -21.237 -16.867 -2.626 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -16.832 -22.495 0.460 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -17.081 -21.543 0.403 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -16.959 -22.717 1.384 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -17.024 -19.568 -3.162 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -16.615 -19.124 -2.388 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -16.299 -20.126 -3.525 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -30.383 -14.440 -16.233 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -30.196 -14.513 -17.191 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -30.020 -15.258 -15.861 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -16.002 -15.480 -1.475 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -15.079 -15.354 -1.723 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -16.430 -14.621 -1.694 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -14.710 -14.563 -15.763 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -14.861 -14.740 -16.707 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -15.605 -14.537 -15.380 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -14.762 -18.403 -11.114 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -14.744 -19.386 -11.232 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -14.209 -18.072 -11.830 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -12.294 -15.169 -18.370 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -12.665 -14.673 -19.119 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -12.777 -16.025 -18.389 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -14.539 -21.064 -11.565 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -14.350 -21.776 -12.181 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -14.491 -21.493 -10.678 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -15.200 -21.389 -4.059 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -15.312 -22.032 -3.328 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -15.463 -21.889 -4.861 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -14.315 -20.139 -7.166 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -14.245 -19.255 -7.580 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -13.711 -20.089 -6.393 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -12.933 -20.050 -4.743 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -13.800 -20.412 -4.452 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -12.275 -20.575 -4.228 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -24.148 -12.157 -5.179 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -24.723 -12.520 -5.880 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -23.313 -11.950 -5.638 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -20.365 -9.802 0.544 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -20.951 -9.033 0.709 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -20.944 -10.571 0.654 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -19.442 -7.982 -6.500 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -19.344 -8.609 -7.242 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -18.719 -8.222 -5.879 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -27.430 -9.932 -3.885 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -28.335 -10.272 -4.005 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -27.166 -9.642 -4.790 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -17.003 -12.956 -2.101 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -17.905 -12.631 -1.892 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -16.444 -12.177 -2.004 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -15.288 -8.460 2.645 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -14.583 -8.481 1.974 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -15.938 -9.125 2.321 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -15.560 -18.261 -1.112 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -15.872 -17.339 -1.190 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -14.592 -18.175 -0.981 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -18.749 -11.825 2.164 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -19.225 -11.113 2.613 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -19.420 -12.216 1.561 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -24.008 -13.104 2.564 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -24.193 -13.863 1.962 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -23.924 -13.508 3.432 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -22.706 -12.168 -1.231 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -23.193 -11.748 -0.489 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -22.352 -11.411 -1.742 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -16.826 -10.122 1.213 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -17.292 -9.663 0.491 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -17.453 -10.818 1.499 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -20.679 -12.804 0.482 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -21.542 -12.805 0.019 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -20.614 -13.713 0.873 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -17.611 -15.835 0.755 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -17.283 -15.191 1.425 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -16.977 -15.750 0.015 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -22.327 -9.101 2.788 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -21.519 -8.656 3.122 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -22.891 -8.369 2.486 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -20.123 -7.469 3.306 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -19.990 -6.922 2.505 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -19.233 -7.505 3.714 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -22.044 -1.395 -46.122 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -21.350 -1.700 -46.717 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -22.759 -2.074 -46.222 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -22.989 1.110 -45.538 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -23.077 1.535 -46.396 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -22.740 0.182 -45.754 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -13.863 -7.854 -42.254 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -14.257 -7.050 -41.848 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -13.047 -7.526 -42.687 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -23.780 -3.409 -46.650 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -24.600 -3.586 -47.120 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -23.504 -4.294 -46.309 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -17.390 -7.967 -44.753 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -17.267 -7.018 -44.598 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -16.473 -8.321 -44.797 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -24.053 1.769 -43.058 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -24.837 2.353 -43.142 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -23.745 1.646 -43.982 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -15.028 -5.427 -41.676 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -15.296 -5.409 -42.618 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -14.836 -4.494 -41.466 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -26.416 3.395 -43.361 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -26.634 4.102 -42.720 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -27.206 2.815 -43.352 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -17.147 4.235 -40.543 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -17.314 5.180 -40.739 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -18.032 3.827 -40.577 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -20.194 -7.773 -40.385 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -20.551 -7.074 -40.948 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -20.294 -7.419 -39.471 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -18.792 -0.795 -39.183 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -17.975 -0.662 -39.713 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -18.760 -1.723 -38.930 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -11.996 -3.908 -46.788 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -11.876 -4.598 -47.446 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -11.483 -4.226 -46.010 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -16.740 -0.402 -40.992 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -16.005 0.236 -41.133 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -17.491 -0.008 -41.481 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -19.920 3.250 -40.747 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -19.540 2.438 -41.133 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -20.888 3.066 -40.715 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -24.297 1.537 -38.774 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -24.027 0.598 -38.871 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -24.496 1.632 -37.823 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -26.908 0.755 -39.117 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -26.034 1.197 -39.127 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -27.484 1.352 -39.649 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -26.531 4.403 -39.971 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -27.185 3.680 -40.061 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -26.736 5.001 -40.719 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -12.485 3.919 -37.684 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -12.844 3.418 -36.931 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -13.261 4.083 -38.254 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -28.392 2.467 -40.561 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -28.559 2.243 -41.500 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -29.293 2.544 -40.167 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -24.214 -5.777 -43.124 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -23.683 -5.845 -42.327 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -25.019 -5.302 -42.834 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -18.995 -9.129 -46.732 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -18.294 -8.815 -46.124 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -19.029 -10.098 -46.584 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -19.275 0.631 -41.666 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -19.543 0.160 -40.860 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -19.915 0.331 -42.345 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -21.370 -7.998 -45.962 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -22.038 -8.213 -46.622 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -20.524 -8.285 -46.374 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -17.046 9.937 -38.075 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -16.832 8.980 -38.107 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -16.233 10.368 -38.349 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -25.006 1.668 -36.028 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -24.642 1.213 -35.259 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -24.593 2.567 -35.994 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -23.585 -1.062 -39.282 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -23.269 -1.973 -39.182 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -23.471 -0.874 -40.243 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -14.384 -0.686 -43.483 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -14.763 -0.011 -42.887 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -13.897 -0.156 -44.156 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -21.217 -0.148 -43.583 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -21.626 0.667 -43.922 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -21.259 -0.765 -44.338 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -26.166 5.823 -44.759 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -25.324 5.863 -45.216 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -26.246 4.890 -44.484 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -22.578 2.482 -40.784 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -23.225 2.327 -40.067 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -23.086 2.313 -41.602 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -16.289 7.305 -38.501 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -16.846 7.152 -39.297 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -15.420 6.960 -38.750 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -30.834 2.639 -39.363 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -31.353 2.186 -38.694 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -31.353 3.442 -39.568 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -17.928 -7.264 -37.168 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -18.767 -7.023 -37.609 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -17.594 -6.419 -36.817 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -22.435 -4.845 -38.836 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -23.082 -4.611 -38.129 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -22.789 -4.405 -39.637 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -23.240 -5.888 -45.687 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -22.540 -6.562 -45.639 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -23.647 -5.899 -44.791 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -25.046 5.551 -38.039 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -25.797 6.038 -37.679 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -25.439 5.023 -38.781 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -32.098 2.993 -35.179 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -32.644 3.232 -34.411 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -32.129 3.791 -35.752 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -27.610 0.793 -36.437 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -27.592 0.675 -37.412 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -26.757 1.237 -36.239 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -26.291 -1.870 -39.640 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -25.350 -1.698 -39.457 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -26.725 -1.007 -39.473 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -26.855 -4.468 -39.066 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -26.931 -4.527 -38.098 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -26.751 -3.508 -39.237 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -26.041 -4.229 -41.673 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -26.480 -3.367 -41.676 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -26.337 -4.643 -40.830 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -23.346 -0.718 -41.970 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -22.500 -0.648 -42.458 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -23.843 0.083 -42.243 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -24.166 -4.107 -36.871 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -23.886 -4.059 -35.939 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -25.142 -4.047 -36.829 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -20.619 -10.251 -41.629 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -20.475 -9.793 -42.492 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -20.820 -9.522 -41.010 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -23.781 -8.931 -37.038 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -24.002 -9.806 -37.432 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -24.329 -8.309 -37.526 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -20.529 -6.594 -37.965 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -21.185 -5.920 -38.271 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -20.939 -6.977 -37.160 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -18.940 -8.138 -34.763 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -18.424 -8.083 -35.598 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -19.815 -8.460 -35.051 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -14.804 4.583 -39.186 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -15.641 4.376 -39.668 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -14.095 4.404 -39.849 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -14.854 1.425 -41.733 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -15.081 2.364 -41.682 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -13.870 1.417 -41.783 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -18.305 2.794 -33.874 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -18.101 3.293 -33.061 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -17.431 2.663 -34.301 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -14.565 -2.593 -41.494 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -15.274 -2.178 -40.981 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -14.456 -1.999 -42.270 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -13.948 -3.166 -44.767 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -13.449 -3.059 -45.597 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -14.206 -2.253 -44.519 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -15.522 -11.324 -44.225 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -15.215 -10.437 -44.502 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -15.488 -11.854 -45.046 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -30.061 1.056 -34.867 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -30.570 1.820 -35.201 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -29.266 1.027 -35.437 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -27.307 5.841 -42.158 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -27.856 6.531 -41.727 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -27.091 6.215 -43.034 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -20.250 5.989 -39.863 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -20.234 5.050 -40.142 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -21.139 6.109 -39.472 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -19.700 3.792 -36.000 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -19.512 3.119 -36.681 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -19.136 3.528 -35.240 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -28.926 7.493 -40.395 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -28.979 8.430 -40.141 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -29.488 7.041 -39.743 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -18.698 8.846 -42.503 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -18.390 9.589 -43.032 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -19.651 8.838 -42.636 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -17.854 6.900 -40.715 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -18.753 6.633 -40.408 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -18.028 7.606 -41.378 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -23.481 -3.412 -41.019 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -23.395 -2.586 -41.534 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -24.370 -3.748 -41.259 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -15.359 -5.500 -44.400 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -14.821 -6.094 -44.935 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -14.963 -4.611 -44.553 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -19.950 -8.715 -43.753 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -19.094 -8.427 -44.123 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -20.609 -8.433 -44.426 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -15.617 -10.430 -49.825 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -16.384 -9.995 -50.267 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -15.471 -11.228 -50.343 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -15.508 5.207 -36.649 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -16.123 5.931 -36.848 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -15.224 4.889 -37.535 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -15.777 2.925 -35.123 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -15.068 2.432 -35.574 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -15.751 3.816 -35.541 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -21.582 -7.956 -35.816 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -22.389 -8.394 -36.188 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -21.916 -7.472 -35.033 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -30.431 -4.660 -32.296 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -29.566 -4.976 -32.021 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -30.258 -3.760 -32.647 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -23.942 -1.752 -32.608 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -24.888 -1.513 -32.545 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -23.491 -0.905 -32.803 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -26.709 -1.342 -32.456 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -27.526 -1.867 -32.449 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -26.860 -0.660 -31.790 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -26.217 -6.750 -29.172 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -26.813 -7.491 -29.422 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -26.808 -6.086 -28.808 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -16.798 1.929 -30.690 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -16.031 1.883 -31.291 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -17.052 2.861 -30.705 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -27.554 -1.593 -35.087 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -27.620 -0.763 -35.611 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -27.003 -1.348 -34.318 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -13.484 5.407 -33.655 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -14.456 5.402 -33.510 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -13.255 6.360 -33.676 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -22.492 -6.362 -33.686 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -22.786 -5.448 -33.911 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -23.229 -6.728 -33.179 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -21.031 -6.473 -29.050 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -21.149 -5.576 -29.379 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -21.949 -6.791 -28.892 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -23.423 -9.481 -30.477 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -23.441 -8.627 -29.996 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -22.995 -10.100 -29.844 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -26.886 -3.971 -36.289 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -27.430 -4.534 -35.730 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -27.088 -3.058 -35.978 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -24.299 -10.235 -26.652 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -23.524 -10.557 -27.148 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -25.005 -10.200 -27.322 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -18.137 4.450 -31.594 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -18.894 4.932 -32.013 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -18.292 4.559 -30.628 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -23.711 4.035 -36.105 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -22.985 4.643 -35.859 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -24.199 4.518 -36.805 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -20.144 5.835 -32.769 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -21.088 5.758 -32.586 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -20.079 6.603 -33.377 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -30.510 -8.060 -30.276 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -31.073 -8.408 -29.576 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -31.124 -7.565 -30.853 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -27.922 -8.803 -29.761 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -28.784 -8.473 -30.096 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -28.169 -9.533 -29.150 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -22.925 -7.352 -26.070 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -23.581 -7.853 -25.529 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -22.167 -7.942 -26.123 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -16.816 -9.043 -29.523 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -17.497 -9.728 -29.391 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -17.328 -8.233 -29.742 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -16.928 -6.545 -33.628 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -16.990 -5.938 -34.392 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -17.549 -7.264 -33.843 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -23.178 -3.768 -34.276 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -22.644 -3.097 -34.759 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -23.616 -3.246 -33.564 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -16.185 5.484 -33.225 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -16.819 5.159 -32.555 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -16.719 6.030 -33.811 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -21.581 5.765 -35.777 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -21.187 6.544 -35.334 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -20.835 5.123 -35.845 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -22.275 4.179 -4.959 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -22.098 4.503 -5.867 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -23.255 4.172 -4.897 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -22.272 2.364 -2.806 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -22.868 2.953 -2.294 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -22.219 2.789 -3.685 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -26.421 -1.762 -2.387 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -27.166 -1.393 -2.891 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -26.265 -1.113 -1.674 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -23.817 4.292 -1.555 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -24.660 3.937 -1.227 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -24.069 5.113 -2.029 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -28.246 -0.796 -4.589 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -28.896 -0.227 -5.049 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -28.689 -1.676 -4.540 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -31.372 3.375 -3.356 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -31.235 3.507 -2.415 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -30.465 3.336 -3.726 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -14.899 2.715 -4.808 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -15.511 3.439 -4.555 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -15.263 2.381 -5.646 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -19.708 2.432 -1.760 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -19.333 1.589 -1.408 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -20.547 2.159 -2.184 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -25.744 0.234 -4.396 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -25.288 -0.485 -3.934 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -26.629 -0.139 -4.608 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -25.570 -4.176 -4.317 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -25.232 -5.088 -4.483 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -26.340 -4.311 -3.747 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -26.359 2.461 -2.958 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -26.011 2.301 -2.052 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -26.096 1.655 -3.462 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -29.508 -3.196 -4.523 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -29.857 -3.928 -3.975 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -30.169 -3.106 -5.248 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -21.690 -1.683 0.057 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -22.134 -2.551 0.077 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -20.750 -1.903 -0.136 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -16.791 4.781 -4.577 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -17.167 5.685 -4.578 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -16.452 4.667 -5.493 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -12.735 1.456 -0.449 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -12.342 2.301 -0.209 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -13.467 1.699 -1.072 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -20.170 4.835 -3.189 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -20.946 4.623 -3.743 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -20.022 4.030 -2.664 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -28.738 3.126 -4.215 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -27.984 2.911 -3.622 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -28.315 3.544 -4.992 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -15.516 8.436 -8.527 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -15.534 9.210 -9.136 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -14.783 7.877 -8.871 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -21.815 3.251 0.103 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -22.385 3.819 -0.450 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -20.994 3.163 -0.410 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -22.984 -0.318 -2.073 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -22.725 0.598 -2.299 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -22.438 -0.538 -1.293 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -23.588 -2.884 -2.762 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -24.474 -3.006 -3.173 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -23.558 -1.923 -2.533 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -26.384 -3.616 -0.332 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -26.995 -4.347 -0.586 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -26.344 -3.052 -1.131 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -27.562 -6.482 -4.250 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -26.655 -6.739 -4.547 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -27.743 -7.079 -3.511 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -23.226 -7.851 -2.885 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -23.774 -8.146 -2.127 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -23.890 -7.551 -3.561 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -21.722 -7.349 0.427 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -22.578 -7.039 0.767 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -21.072 -6.703 0.785 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -28.631 5.548 -7.665 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -29.265 4.865 -7.963 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -27.929 5.035 -7.219 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -11.857 7.602 -6.163 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -11.005 7.928 -5.866 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -12.406 8.412 -6.254 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -13.102 5.418 -7.202 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -13.250 5.807 -8.090 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -12.691 6.153 -6.688 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -14.669 2.421 -2.054 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -15.542 2.828 -1.847 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -14.636 2.422 -3.030 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -15.727 4.504 -7.016 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -14.797 4.782 -7.133 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -16.243 5.179 -7.506 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -13.698 -3.716 -2.539 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -13.788 -4.687 -2.485 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -13.221 -3.476 -1.719 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -27.930 -5.688 -1.246 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -27.447 -6.516 -1.460 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -28.827 -5.851 -1.563 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -13.252 -6.524 2.452 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -13.168 -7.052 1.634 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -13.892 -7.018 2.987 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -20.324 -7.398 -1.895 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -20.099 -6.439 -1.909 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -20.988 -7.473 -1.173 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -28.700 -7.223 -8.223 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -28.779 -8.183 -8.116 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -29.550 -6.956 -8.623 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -24.977 4.134 -4.616 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -24.931 5.002 -4.154 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -25.438 3.547 -3.977 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -24.756 6.409 -3.181 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -23.938 6.958 -3.200 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -25.425 6.962 -3.633 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -22.502 7.913 -3.468 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -22.995 8.751 -3.590 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -22.390 7.568 -4.385 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -17.503 -8.248 -4.623 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -17.244 -8.318 -3.700 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -16.662 -8.319 -5.118 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -29.556 8.467 -5.271 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -30.465 8.092 -5.363 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -29.694 9.305 -4.819 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -17.627 7.363 -5.261 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -17.202 8.240 -5.310 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -18.394 7.500 -4.651 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -17.317 6.532 -7.858 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -17.521 6.861 -6.952 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -16.754 7.235 -8.246 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -16.054 9.590 -6.148 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -15.152 9.758 -5.836 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -15.926 9.095 -6.988 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -26.999 3.781 -6.353 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -26.169 3.942 -5.846 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -26.864 2.917 -6.762 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -26.773 -8.087 -1.974 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -26.982 -8.813 -2.603 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -25.986 -8.411 -1.490 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -24.503 -8.828 -0.570 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -24.432 -8.207 0.180 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -24.277 -9.697 -0.179 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -21.452 -9.986 -2.442 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -20.851 -9.264 -2.179 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -22.234 -9.519 -2.800 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -19.739 7.498 -3.576 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -19.828 6.546 -3.351 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -20.621 7.868 -3.386 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -18.208 -0.207 1.936 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -18.938 -0.072 2.575 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -18.067 -1.181 1.933 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -23.311 -3.532 5.286 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -22.655 -4.186 4.945 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -23.227 -3.591 6.239 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -18.137 -2.943 1.753 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -18.810 -3.232 2.402 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -18.629 -2.896 0.894 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -16.844 -5.279 1.095 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -16.363 -5.344 1.935 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -17.163 -4.350 1.078 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -21.380 -5.239 4.469 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -21.066 -6.125 4.215 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -20.592 -4.663 4.350 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -24.503 -4.602 1.303 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -23.747 -4.472 0.685 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -25.279 -4.242 0.808 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -24.260 -7.261 1.757 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -24.390 -6.284 1.663 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -24.930 -7.524 2.401 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -21.683 1.902 2.439 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -21.666 2.502 1.660 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -22.374 1.245 2.216 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -19.084 -3.738 4.197 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -18.197 -4.121 4.057 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -18.908 -2.905 4.689 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -20.042 0.402 3.982 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -20.512 1.036 3.384 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -20.673 0.245 4.693 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -14.716 -2.776 5.671 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -15.121 -2.054 6.169 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -14.694 -2.445 4.745 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -16.123 1.328 2.651 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -16.822 0.697 2.348 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -16.401 2.176 2.286 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -18.232 -1.304 5.202 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -17.412 -0.783 5.315 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -18.862 -0.671 4.806 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -25.236 2.061 -0.478 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -25.510 1.138 -0.293 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -24.449 2.187 0.070 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -17.403 -6.992 3.767 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -17.018 -6.109 3.918 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -16.647 -7.535 3.467 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -24.115 -2.383 2.955 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -24.284 -3.228 2.497 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -23.893 -2.651 3.875 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -25.657 -0.647 0.118 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -24.836 -0.510 0.639 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -25.987 -1.510 0.420 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -18.915 -0.016 -0.765 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -18.960 -0.987 -0.893 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -18.583 0.086 0.148 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -23.320 -0.167 1.598 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -23.614 -0.858 2.239 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -22.607 -0.609 1.084 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -22.578 -4.241 -0.569 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -21.635 -4.428 -0.811 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -22.942 -3.783 -1.357 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -13.973 -0.065 1.573 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -14.640 0.567 1.900 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -13.500 0.424 0.874 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -16.045 0.410 5.276 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -16.003 0.657 4.327 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -15.620 1.143 5.730 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -14.761 -2.307 2.948 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -14.600 -1.486 2.429 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -14.005 -2.889 2.708 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -14.211 -6.420 -2.464 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -14.879 -6.671 -1.786 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -13.531 -7.125 -2.400 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -16.343 -4.377 3.923 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -15.929 -4.177 4.783 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -16.035 -3.647 3.340 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -16.021 -7.249 -0.630 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -16.799 -7.845 -0.688 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -16.324 -6.515 -0.044 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -16.859 -13.801 2.412 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -16.274 -13.506 3.113 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -17.556 -13.110 2.373 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -19.577 -5.856 1.145 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -19.737 -5.364 0.300 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -18.611 -5.785 1.279 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -26.478 15.553 -38.915 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -27.220 16.164 -39.011 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -26.616 14.893 -39.637 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -31.075 21.715 -35.150 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -30.806 21.482 -36.042 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -30.662 21.032 -34.587 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -21.001 18.391 -35.708 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -20.528 17.649 -35.283 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -21.185 19.003 -34.971 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -30.491 17.653 -39.308 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -31.453 17.600 -39.131 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -30.202 18.421 -38.806 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -27.435 13.737 -40.708 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -27.799 12.858 -40.873 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -28.229 14.303 -40.574 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -24.107 17.356 -35.047 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -24.163 16.939 -35.931 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -23.474 16.781 -34.556 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -22.045 17.587 -38.049 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -21.757 17.917 -37.160 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -21.819 18.305 -38.649 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -31.453 17.518 -35.945 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -31.354 16.814 -35.267 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -30.555 17.911 -36.010 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -26.684 17.967 -34.334 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -26.895 17.108 -33.949 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -25.748 17.874 -34.628 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -24.150 15.904 -37.463 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -24.913 15.907 -38.083 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -23.495 16.505 -37.880 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -13.357 18.836 -41.402 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -14.016 19.265 -41.949 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -12.588 18.760 -41.968 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -24.102 13.288 -36.741 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -23.170 12.986 -36.786 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -24.054 14.245 -36.970 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -20.338 15.462 -37.030 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -20.913 16.116 -37.463 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -20.793 14.613 -37.173 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -25.360 13.132 -34.311 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -26.182 13.517 -34.634 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -24.790 13.085 -35.108 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -23.539 13.488 -32.273 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -24.103 13.896 -31.587 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -24.172 13.245 -32.987 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -21.322 12.809 -36.659 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -20.944 13.040 -35.795 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -20.735 12.097 -36.989 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -19.390 10.777 -36.946 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -18.532 10.623 -37.405 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -19.906 9.964 -37.134 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -26.862 13.453 -37.123 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -26.815 14.263 -37.669 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -25.934 13.151 -37.069 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -22.465 6.537 -38.249 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -22.183 6.160 -37.388 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -23.405 6.269 -38.330 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -20.450 8.332 -37.518 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -21.305 7.922 -37.759 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -19.807 7.876 -38.079 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -31.062 13.037 -38.892 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -30.484 12.736 -38.163 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -31.948 12.683 -38.659 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -13.155 6.730 -36.613 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -13.113 7.320 -35.828 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -13.973 6.218 -36.482 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -29.081 10.069 -39.149 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -29.138 10.719 -38.422 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -29.277 10.598 -39.954 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -29.033 18.748 -35.729 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -29.404 19.130 -34.907 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -28.117 18.512 -35.488 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -29.141 11.994 -37.082 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -28.417 12.658 -37.196 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -28.778 11.362 -36.422 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -27.408 8.674 -37.481 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -28.054 8.971 -38.158 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -26.561 8.703 -37.937 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -20.185 7.925 -34.557 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -19.974 8.634 -33.917 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -20.022 8.334 -35.428 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -18.294 22.359 -26.395 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -17.363 22.500 -26.192 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -18.413 22.771 -27.283 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -20.706 19.771 -29.736 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -21.075 19.394 -30.551 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -21.264 19.381 -29.017 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -18.247 19.039 -28.699 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -19.042 19.376 -29.161 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -17.594 18.921 -29.400 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -21.369 22.368 -29.199 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -21.134 21.446 -29.454 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -22.257 22.507 -29.597 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -15.317 18.883 -21.663 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -15.452 18.579 -22.574 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -16.210 19.150 -21.368 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -19.432 16.881 -33.978 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -19.078 17.692 -33.567 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -18.685 16.533 -34.500 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -14.924 17.192 -18.967 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -14.230 17.719 -19.409 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -15.077 16.440 -19.573 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -17.008 18.192 -23.893 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -17.580 18.485 -23.162 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -17.290 18.754 -24.660 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -25.346 19.597 -23.929 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -24.699 19.106 -24.466 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -25.898 20.062 -24.586 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -21.055 19.507 -33.181 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -20.088 19.615 -33.108 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -21.252 18.735 -32.600 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -18.902 23.493 -28.791 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -18.716 24.075 -29.531 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -19.785 23.116 -28.997 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -26.646 19.321 -21.373 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -26.105 19.330 -22.187 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -26.053 18.946 -20.693 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -18.055 11.810 -34.546 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -18.742 12.497 -34.476 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -18.320 11.291 -35.324 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -28.520 20.083 -27.471 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -27.664 20.515 -27.381 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -28.756 20.203 -28.413 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -21.530 21.893 -21.138 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -21.825 22.594 -20.512 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -22.339 21.681 -21.653 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -14.776 16.709 -35.438 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -14.100 16.830 -36.113 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -14.336 16.985 -34.607 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -35.121 9.063 -30.988 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -34.216 8.677 -31.003 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -35.408 9.026 -31.925 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -23.581 19.179 -30.326 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -23.395 19.258 -29.362 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -24.254 19.857 -30.500 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -15.431 16.622 -25.442 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -16.029 17.151 -24.860 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -15.978 15.859 -25.717 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -19.273 14.150 -31.927 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -18.363 14.470 -32.099 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -19.651 14.034 -32.818 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -22.499 18.849 -23.053 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -22.432 18.729 -24.035 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -22.917 19.722 -22.951 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -23.837 22.906 -30.337 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -23.768 23.585 -31.016 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -24.377 22.195 -30.762 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -19.050 21.824 -22.234 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -19.916 21.899 -21.776 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -19.168 22.326 -23.044 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -16.875 15.014 -32.867 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -16.914 15.139 -33.837 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -16.605 15.893 -32.527 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -12.896 18.471 -20.515 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -13.775 18.725 -20.881 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -12.276 18.658 -21.248 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -17.754 19.620 -26.072 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -18.099 20.530 -26.116 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -17.848 19.287 -26.993 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -23.438 24.227 -25.922 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -22.485 24.161 -26.114 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -23.643 23.394 -25.459 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -23.329 21.445 -25.617 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -23.147 20.473 -25.694 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -22.461 21.861 -25.804 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -21.072 22.740 -26.461 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -20.125 22.581 -26.272 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -21.153 22.578 -27.425 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -20.668 19.241 -21.069 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -21.165 19.038 -21.893 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -20.859 20.189 -20.903 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -18.224 19.225 -33.057 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -17.469 18.664 -32.766 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -17.811 20.047 -33.342 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -27.105 22.452 -23.606 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -28.074 22.557 -23.713 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -26.794 22.186 -24.493 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -29.240 20.283 -30.128 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -28.633 20.274 -30.886 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -30.118 20.420 -30.525 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -25.260 21.030 -31.643 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -26.166 20.728 -31.847 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -24.714 20.656 -32.377 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -27.552 19.626 -32.312 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -27.422 18.886 -31.667 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -27.150 19.283 -33.143 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -25.167 23.438 -27.972 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -24.692 23.199 -28.796 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -24.461 23.754 -27.370 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -34.232 26.372 -17.656 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -34.822 25.826 -18.237 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -34.558 27.270 -17.767 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -26.959 23.904 -18.761 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -27.895 23.873 -18.480 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -27.002 24.116 -19.717 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -23.812 19.806 -33.610 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -22.848 19.851 -33.461 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -23.926 19.032 -34.196 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -22.799 17.746 -20.361 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -23.041 17.802 -21.304 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -21.933 18.205 -20.316 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -18.013 19.387 -21.402 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -18.107 20.334 -21.650 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -18.937 19.103 -21.217 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -30.024 19.838 -33.421 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -29.161 19.830 -32.955 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -30.683 19.914 -32.702 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -26.880 25.376 -27.110 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -26.324 24.671 -27.506 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -27.763 25.189 -27.435 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -8.259 17.094 -18.167 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -8.104 16.536 -18.927 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -9.206 17.326 -18.231 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -16.119 17.601 -32.307 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -16.006 17.807 -31.347 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -15.200 17.552 -32.648 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -13.459 17.429 -33.069 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -13.033 16.605 -32.737 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -12.919 18.138 -32.694 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -12.428 19.534 -25.731 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -12.355 19.708 -24.780 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -11.723 18.885 -25.909 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -17.350 15.701 -35.470 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -17.693 15.716 -36.379 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -16.433 16.063 -35.552 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -19.638 14.035 -34.702 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -20.233 14.695 -35.113 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -18.745 14.357 -34.925 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -13.933 14.814 -17.842 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -14.360 14.446 -18.632 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -14.234 15.739 -17.821 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -22.367 15.617 -33.877 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -21.539 15.938 -33.487 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -22.613 14.849 -33.329 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -14.016 10.378 -32.995 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -14.689 11.086 -33.097 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -13.825 10.372 -32.055 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -13.017 8.095 -34.233 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -12.061 8.179 -34.006 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -13.424 8.910 -33.860 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -29.255 22.488 -20.755 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -29.527 22.816 -19.870 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -28.487 23.047 -20.989 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -26.011 21.578 -26.043 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -25.049 21.468 -25.859 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -26.036 22.224 -26.775 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -29.853 25.805 -22.721 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -28.948 26.085 -22.978 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -29.830 25.787 -21.758 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -27.169 24.176 -21.514 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -26.984 23.527 -22.234 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -27.136 25.046 -21.965 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -25.423 26.008 -24.917 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -24.614 25.529 -25.178 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -26.017 25.914 -25.696 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -27.202 26.547 -22.941 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -26.948 27.446 -22.711 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -26.566 26.295 -23.658 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -23.911 21.244 -22.316 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -24.499 20.797 -22.962 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -24.496 21.858 -21.853 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -28.333 10.058 -35.311 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -28.040 9.426 -36.011 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -27.639 10.006 -34.642 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -20.074 14.313 -11.402 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -20.851 14.179 -10.837 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -19.577 13.471 -11.323 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -32.052 15.473 -15.546 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -32.972 15.478 -15.863 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -31.547 15.897 -16.267 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -23.542 10.256 -9.424 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -22.755 9.694 -9.627 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -24.262 9.846 -9.923 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -17.018 11.312 -15.860 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -17.111 11.904 -16.635 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -17.941 11.197 -15.532 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -20.280 11.097 -8.223 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -20.640 11.831 -8.764 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -19.332 11.321 -8.115 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -16.829 13.422 -9.594 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -17.134 12.930 -8.808 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -17.441 13.140 -10.298 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -29.903 12.953 -12.335 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -30.716 13.455 -12.537 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -30.209 12.226 -11.764 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -29.651 23.139 -13.844 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -30.633 23.223 -13.872 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -29.391 23.675 -13.092 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -22.524 7.372 -6.108 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -22.312 6.786 -6.848 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -22.424 8.273 -6.477 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -22.590 16.404 -13.890 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -23.511 16.663 -14.010 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -22.645 15.479 -13.545 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -21.269 18.857 -13.550 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -20.726 18.727 -12.764 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -21.751 18.006 -13.650 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -20.838 18.994 -16.285 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -20.889 19.073 -15.311 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -21.368 19.752 -16.614 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -25.286 18.082 -19.245 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -24.373 17.921 -19.574 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -25.647 17.197 -19.102 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -22.512 10.050 -6.872 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -21.630 10.436 -7.058 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -23.008 10.183 -7.705 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -26.921 7.454 -4.950 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -26.876 6.846 -5.695 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -27.836 7.804 -4.983 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -19.024 16.970 -16.609 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -19.523 17.804 -16.490 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -18.465 17.140 -17.400 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -25.905 10.983 -11.659 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -26.379 11.739 -12.080 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -25.068 11.361 -11.377 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -19.180 14.158 -13.975 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -19.581 14.333 -13.091 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -18.281 13.852 -13.769 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -18.638 11.980 -11.398 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -19.320 11.328 -11.679 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -17.977 11.960 -12.118 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -32.376 13.901 -13.240 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -32.653 12.983 -13.426 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -32.159 14.276 -14.124 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -29.975 19.970 -18.319 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -29.795 20.514 -17.529 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -29.861 19.051 -18.010 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -24.600 12.621 -15.545 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -24.835 11.757 -15.921 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -25.448 13.112 -15.525 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -22.718 13.692 -13.688 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -22.262 12.989 -13.155 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -23.394 13.202 -14.201 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -17.487 11.328 -7.916 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -16.995 10.995 -8.695 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -17.121 10.816 -7.167 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -21.901 12.661 -9.892 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -21.732 12.336 -10.813 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -22.649 12.122 -9.585 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -22.217 17.041 -17.647 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -22.404 17.245 -18.583 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -21.812 17.863 -17.299 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -19.384 11.249 -14.573 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -19.682 12.119 -14.260 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -19.747 10.622 -13.909 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -22.801 20.838 -16.847 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -23.169 21.596 -17.337 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -22.619 21.198 -15.945 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -14.138 13.059 -9.567 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -15.089 13.322 -9.545 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -13.670 13.886 -9.725 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -22.177 21.408 -14.307 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -21.834 20.563 -13.958 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -22.445 21.904 -13.507 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -22.821 22.421 -11.836 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -23.707 22.516 -11.474 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -22.258 22.897 -11.217 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -24.765 22.420 -18.211 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -25.518 23.038 -18.366 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -25.192 21.610 -17.866 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -27.666 16.606 -15.247 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -27.546 17.460 -15.693 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -28.400 16.765 -14.631 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -27.792 19.545 -15.944 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -26.908 19.686 -16.358 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -28.226 20.415 -16.011 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -29.326 8.178 -8.061 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -29.024 7.245 -8.084 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -29.358 8.391 -7.110 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -25.379 19.896 -17.192 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -24.432 20.002 -16.962 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -25.374 19.261 -17.941 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -22.795 23.747 -19.600 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -23.480 23.251 -19.100 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -22.852 24.641 -19.254 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -27.112 13.923 -15.600 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -27.195 14.895 -15.451 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -27.833 13.718 -16.209 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -17.638 17.760 -18.842 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -17.781 18.301 -19.635 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -16.666 17.645 -18.803 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -24.152 9.797 -4.574 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -23.601 9.969 -5.365 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -25.008 9.541 -4.932 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -29.720 21.698 -16.162 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -29.508 22.224 -15.353 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -30.696 21.587 -16.124 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -12.754 12.409 -12.882 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -13.543 12.979 -12.848 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -12.349 12.620 -13.739 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -15.506 16.858 -14.093 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -15.457 17.754 -13.746 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -15.927 16.959 -14.956 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -12.332 7.557 -11.821 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -12.341 7.447 -12.800 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -12.198 8.521 -11.691 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -27.225 12.913 -12.969 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -27.185 13.357 -13.836 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -28.163 13.019 -12.687 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -21.162 8.948 -9.725 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -20.658 9.570 -9.160 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -20.779 9.074 -10.619 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -16.196 9.754 -12.714 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -17.101 9.433 -12.821 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -16.215 10.651 -13.100 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -14.914 7.378 -13.877 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -13.999 7.560 -14.188 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -15.201 8.217 -13.474 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 0.659 -15.147 -41.792 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -0.173 -14.876 -41.331 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 0.925 -14.359 -42.274 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -14.944 -18.595 -48.423 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -15.594 -19.122 -47.925 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -14.091 -19.008 -48.200 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -1.461 -18.440 -42.847 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -1.132 -18.775 -43.688 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -0.647 -18.217 -42.341 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -11.582 -19.350 -45.065 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -10.870 -19.603 -44.439 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -11.871 -18.473 -44.754 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -2.799 -19.637 -40.780 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -2.445 -19.281 -41.622 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -2.042 -19.573 -40.160 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -9.625 -19.731 -43.142 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -8.715 -20.085 -43.174 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -9.929 -19.943 -42.228 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -3.670 -13.794 -47.003 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -3.406 -12.868 -47.225 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -3.706 -14.237 -47.857 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -6.696 -19.087 -45.249 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -6.634 -19.773 -45.921 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -6.830 -19.584 -44.413 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -5.464 -19.453 -41.200 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -4.519 -19.706 -41.076 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -5.453 -18.469 -41.157 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -3.076 -16.209 -42.433 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -2.475 -16.975 -42.526 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -3.271 -15.947 -43.356 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -3.319 -12.457 -39.204 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -3.092 -11.548 -38.977 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -3.640 -12.844 -38.358 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -8.061 -11.336 -45.563 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -7.091 -11.334 -45.446 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -8.313 -12.268 -45.407 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -7.020 -20.678 -43.022 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -6.902 -21.625 -42.881 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -6.454 -20.258 -42.330 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -8.856 -18.662 -37.458 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -8.181 -19.013 -38.078 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -9.560 -18.307 -38.043 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -0.711 -18.708 -39.211 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -0.210 -18.311 -39.957 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -0.060 -18.788 -38.506 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 -3.453 -18.256 -38.423 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 -3.636 -18.783 -39.220 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 -2.482 -18.183 -38.410 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -1.687 -14.421 -40.702 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -2.182 -13.774 -40.173 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 -2.372 -14.868 -41.238 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -3.968 -15.678 -45.026 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -3.711 -14.961 -45.651 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -4.390 -16.340 -45.588 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -7.323 -16.588 -46.099 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -7.758 -16.824 -46.925 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -7.046 -17.454 -45.718 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -4.533 -13.317 -41.466 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -4.631 -12.489 -41.982 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -4.097 -13.031 -40.636 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -3.272 -11.238 -47.773 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -3.982 -10.564 -47.721 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -2.535 -10.773 -48.178 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 0.759 -17.805 -41.392 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 0.733 -16.818 -41.498 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 1.678 -18.034 -41.567 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -10.108 -20.163 -40.516 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -10.542 -19.423 -40.039 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -9.939 -20.829 -39.815 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -7.622 -14.074 -45.087 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -7.632 -14.930 -45.571 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -7.089 -14.266 -44.281 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -6.605 -11.988 -36.276 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -6.176 -11.190 -35.901 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -5.857 -12.572 -36.510 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 -8.228 -15.881 -36.927 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 -7.934 -16.777 -36.700 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 -9.014 -16.029 -37.510 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -7.065 -19.959 -39.044 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -7.662 -20.695 -39.249 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -6.566 -19.813 -39.877 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -5.414 -19.928 -36.830 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -4.755 -19.247 -37.036 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -6.011 -19.927 -37.606 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -5.284 -16.746 -40.913 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -4.474 -16.444 -41.387 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -5.180 -16.387 -40.009 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -6.241 -21.429 -34.717 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -5.984 -20.849 -35.478 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -5.455 -21.960 -34.552 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -8.850 -22.386 -35.122 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -7.892 -22.279 -34.968 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -9.217 -21.494 -34.955 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -12.433 -8.421 -46.160 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -12.995 -8.534 -46.963 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -11.667 -9.019 -46.318 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -10.390 -10.236 -46.579 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -10.796 -11.053 -46.887 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -9.632 -10.537 -46.033 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -12.300 -16.705 -44.415 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -12.132 -16.482 -45.362 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -13.260 -16.553 -44.305 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -10.794 -23.478 -36.601 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -10.747 -24.435 -36.497 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -10.104 -23.134 -35.978 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -13.061 -20.245 -47.168 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -12.525 -20.972 -47.497 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 -12.548 -19.897 -46.397 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -3.829 -5.866 -37.111 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -2.877 -5.645 -37.082 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -4.275 -5.018 -36.903 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -4.262 -8.579 -40.597 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -3.324 -8.345 -40.769 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -4.706 -8.413 -41.453 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -5.155 -11.121 -42.975 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -5.204 -11.532 -43.866 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -4.992 -10.174 -43.158 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -1.758 -7.813 -41.364 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -1.672 -6.871 -41.541 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -0.911 -8.185 -41.630 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -5.482 -12.282 -45.411 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -6.132 -13.011 -45.423 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -4.724 -12.633 -45.914 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -5.837 -14.823 -43.247 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -5.124 -15.131 -43.847 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -5.356 -14.327 -42.539 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -5.468 -18.087 -25.745 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -5.324 -17.629 -26.601 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -5.803 -18.971 -26.002 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -3.855 -16.343 -24.478 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -4.431 -17.038 -24.866 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -3.001 -16.459 -24.935 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -1.456 -16.587 -25.967 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -0.961 -17.358 -25.597 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -1.113 -15.820 -25.461 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -7.124 -14.800 -22.733 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -7.217 -15.687 -23.154 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -7.293 -14.964 -21.792 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -8.015 -18.206 -27.445 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -8.004 -18.254 -28.410 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -7.572 -19.031 -27.157 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -3.861 -18.017 -31.154 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -3.481 -18.558 -30.422 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -3.090 -17.618 -31.574 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -7.254 -17.333 -23.709 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -7.079 -18.045 -23.046 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -6.659 -17.552 -24.457 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -7.109 -19.308 -21.892 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -7.972 -19.751 -22.018 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -6.688 -19.804 -21.186 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -0.891 -14.366 -24.370 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -0.462 -13.548 -24.027 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -1.649 -14.033 -24.905 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -2.247 -16.267 -28.488 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -1.855 -15.440 -28.794 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -1.920 -16.358 -27.557 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 -2.427 -18.970 -29.064 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 -2.070 -19.437 -28.302 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 -2.275 -18.024 -28.860 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 1.703 -13.016 -16.972 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 1.563 -13.573 -16.168 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 2.321 -12.316 -16.671 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -5.884 -13.901 -31.739 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -5.924 -14.782 -31.296 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -6.040 -13.271 -31.026 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -7.222 -15.648 -26.594 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -6.327 -15.724 -26.972 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -7.629 -16.518 -26.775 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 -4.398 -15.251 -17.976 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 -5.196 -15.064 -17.437 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 -3.652 -14.932 -17.413 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -3.010 -13.762 -25.949 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -3.729 -14.337 -26.233 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -2.931 -13.097 -26.671 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 -5.390 -17.787 -33.437 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 -4.931 -18.044 -32.616 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 -6.202 -18.334 -33.440 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -13.014 -13.940 -25.427 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -12.737 -13.302 -26.111 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -13.552 -14.602 -25.923 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 -12.272 -12.534 -27.767 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 -11.675 -13.313 -27.715 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 -11.858 -11.964 -28.425 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 -0.189 -11.075 -27.888 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 -0.210 -10.110 -28.059 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 0.630 -11.209 -27.392 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -9.615 -10.259 -31.325 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -10.533 -10.619 -31.333 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -9.581 -9.728 -30.503 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 0.540 -7.573 -32.563 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 0.326 -8.492 -32.829 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 0.139 -7.027 -33.267 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -9.995 -17.716 -23.683 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -9.051 -17.449 -23.732 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -10.482 -16.863 -23.602 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -7.919 -21.594 -24.475 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -8.521 -21.066 -23.909 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -7.941 -22.472 -24.087 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -7.636 -19.410 -33.499 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -8.463 -19.463 -34.024 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -7.120 -20.193 -33.792 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 3.403 -11.010 -15.986 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 3.087 -10.257 -15.472 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 3.688 -10.611 -16.843 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -6.696 -14.456 -16.634 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -6.390 -13.961 -15.851 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -7.630 -14.661 -16.435 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 -6.612 -20.434 -26.558 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 -6.245 -21.202 -27.010 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -7.073 -20.816 -25.770 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -5.921 -16.329 -30.472 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -6.752 -16.762 -30.791 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -5.207 -16.927 -30.785 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -0.012 -16.487 -22.832 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -0.187 -16.218 -21.906 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -0.255 -15.697 -23.358 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -3.113 -16.281 -20.228 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -2.140 -16.205 -20.153 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -3.439 -16.092 -19.324 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -8.777 -14.167 -24.969 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 -8.199 -14.665 -25.595 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -8.252 -14.122 -24.149 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -1.130 -12.811 -20.146 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -0.323 -12.471 -20.567 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -1.460 -12.052 -19.619 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 -0.056 -18.479 -24.655 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 -0.001 -17.835 -23.908 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 0.525 -19.194 -24.392 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 -2.717 -11.995 -27.966 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 -1.754 -11.785 -27.928 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 -3.098 -11.255 -28.446 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 -9.744 -19.785 -35.200 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 -9.282 -19.303 -35.926 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 -10.693 -19.597 -35.362 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -4.933 -16.459 -27.927 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -3.977 -16.419 -28.140 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -5.374 -16.367 -28.801 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -5.711 -8.144 -32.855 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -4.846 -7.718 -33.030 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -6.069 -7.638 -32.092 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -0.106 -9.294 -23.637 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 0.535 -8.756 -23.124 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -0.858 -8.702 -23.771 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -7.020 -14.072 -38.546 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -7.523 -14.566 -37.863 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 -6.200 -14.585 -38.648 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -4.624 -13.587 -34.114 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -5.014 -13.792 -33.232 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -4.293 -12.685 -34.020 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 -8.088 -17.556 -31.506 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 -7.973 -18.253 -32.188 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 -8.953 -17.145 -31.727 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -0.389 -9.861 -33.798 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -0.152 -10.615 -34.341 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -1.256 -9.572 -34.153 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -6.844 -10.703 -32.505 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -6.375 -9.862 -32.693 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -7.637 -10.429 -32.016 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 -12.008 -18.871 -36.418 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 -11.692 -18.715 -37.334 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 -12.952 -19.110 -36.528 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 0.139 -12.066 -23.213 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 0.055 -11.118 -23.438 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 0.741 -12.076 -22.446 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 -4.365 -13.578 -36.941 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 -4.355 -13.752 -35.980 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 -4.451 -14.468 -37.343 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -3.348 -11.046 -15.253 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -3.536 -11.745 -14.603 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -2.536 -11.349 -15.701 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 -9.381 -15.113 -16.065 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 -9.512 -15.850 -16.672 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 -10.247 -14.652 -16.057 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -4.962 -16.029 -38.158 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -4.335 -16.781 -38.269 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 -5.247 -16.099 -37.216 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 -2.687 -14.159 -16.163 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -2.990 -14.055 -15.244 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 -1.971 -13.500 -16.253 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 1.928 -14.547 -19.242 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 2.615 -15.179 -19.004 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 1.784 -14.025 -18.417 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 -5.111 -15.998 -35.434 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 -4.924 -15.243 -34.847 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 -5.212 -16.760 -34.815 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -9.599 -20.245 -22.697 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -9.771 -19.353 -23.090 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -10.453 -20.511 -22.341 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 -5.419 -9.604 -35.477 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 -5.779 -8.960 -34.836 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 -5.316 -9.086 -36.308 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 -12.999 -8.185 -28.633 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -12.099 -8.545 -28.588 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 -13.548 -8.946 -28.886 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 1.534 -12.169 -20.702 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 1.717 -11.729 -19.861 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 1.728 -13.113 -20.523 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 -10.401 -17.201 -26.520 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 -9.575 -17.633 -26.820 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 -10.464 -17.433 -25.578 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 1.246 -7.086 -29.999 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 0.911 -7.246 -30.920 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 2.203 -7.156 -30.085 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 -6.116 -14.764 -20.066 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 -5.386 -15.099 -19.497 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 -6.768 -14.437 -19.435 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 1.601 -7.423 -22.487 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 2.114 -7.198 -23.300 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 0.903 -6.740 -22.451 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 -10.221 -6.192 -29.346 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 -10.931 -5.541 -29.154 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 -9.460 -5.640 -29.624 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 4.660 -12.088 -13.678 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 4.405 -11.899 -14.602 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 3.843 -11.902 -13.163 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -0.365 -14.932 -11.062 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -0.129 -15.801 -11.455 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 -0.562 -14.364 -11.842 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -2.156 -16.033 -8.095 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -1.919 -15.085 -8.223 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -2.083 -16.166 -7.142 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 0.420 -16.836 -9.078 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 0.499 -15.961 -9.500 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -0.487 -16.843 -8.719 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 -7.839 -15.468 -7.244 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 -8.164 -15.972 -6.462 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 -7.035 -15.008 -6.914 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 -14.466 -17.629 -8.467 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 -14.525 -17.856 -9.423 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 -15.372 -17.337 -8.232 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -3.341 -12.535 -6.427 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -2.680 -12.954 -7.015 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -2.881 -12.472 -5.560 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 0.379 -17.501 -11.767 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 0.505 -17.552 -10.798 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 0.487 -18.408 -12.068 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -9.029 -16.721 -5.106 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -8.728 -16.846 -4.200 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 -9.922 -17.119 -5.119 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -8.293 -16.706 -0.496 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -8.999 -16.706 -1.169 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -8.680 -17.166 0.251 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -12.013 -14.311 -15.821 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -12.948 -14.344 -15.511 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -12.069 -14.596 -16.763 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 1.095 -12.499 -10.290 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 0.528 -11.692 -10.320 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 0.474 -13.235 -10.441 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 4.954 -14.002 -7.566 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 4.666 -14.735 -6.982 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 4.117 -13.606 -7.876 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 -8.856 -13.640 -11.071 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 -9.352 -14.066 -11.798 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 -8.261 -14.346 -10.733 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -5.624 -14.117 -6.188 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -4.893 -13.527 -6.470 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -6.080 -13.611 -5.484 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 -6.176 -14.736 -0.439 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 -6.762 -14.203 -1.010 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 -6.670 -15.566 -0.311 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -6.560 -12.759 -3.956 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 -6.944 -11.896 -4.177 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 -7.149 -13.107 -3.247 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -11.663 -17.635 -4.710 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -12.141 -17.131 -5.404 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -12.101 -18.519 -4.713 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 6.027 -14.965 1.054 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 6.314 -15.831 0.753 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 6.082 -14.401 0.254 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -3.600 -13.323 -13.593 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -4.567 -13.309 -13.769 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -3.520 -13.829 -12.745 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 -10.619 -16.748 -2.275 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 -10.665 -15.787 -2.476 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 -10.985 -17.177 -3.080 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 3.416 -10.240 -0.298 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 2.968 -11.039 0.049 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 2.720 -9.772 -0.795 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 -3.201 -14.718 -11.300 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 -2.300 -14.843 -10.955 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 -3.764 -15.250 -10.703 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 0.759 -14.473 -6.456 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 1.510 -13.971 -6.843 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 1.027 -14.629 -5.532 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 -3.903 -13.523 0.537 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 -3.317 -13.871 -0.161 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 -4.792 -13.875 0.297 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -10.501 -14.988 -7.869 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -10.414 -14.549 -8.727 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -9.579 -15.234 -7.633 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 -0.844 -13.342 -13.200 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 -1.805 -13.245 -13.362 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 -0.476 -12.451 -13.395 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 -12.798 -17.659 -0.690 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 -12.086 -17.356 -1.286 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 -12.332 -18.062 0.048 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 1.782 -11.841 -2.513 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 1.481 -10.983 -2.142 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 0.986 -12.408 -2.476 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 3.513 -13.862 -1.824 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 4.440 -13.595 -1.664 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 3.061 -13.029 -2.078 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 1.221 -14.424 -14.709 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 0.416 -14.099 -14.255 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 1.539 -15.133 -14.143 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 -1.243 -13.461 -7.901 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -0.862 -12.589 -8.137 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 -0.546 -13.877 -7.335 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 -4.500 -16.429 -9.530 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 -3.738 -16.283 -8.927 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 -4.655 -17.378 -9.489 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -2.070 -12.735 -4.078 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -2.812 -13.285 -3.764 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -1.352 -12.919 -3.446 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 2.545 -11.232 -12.247 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 2.137 -11.767 -11.529 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 2.895 -10.436 -11.780 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -13.966 -10.298 -4.635 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -14.494 -11.099 -4.836 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -14.408 -9.592 -5.142 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 -7.723 -11.596 -12.446 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 -8.118 -12.186 -11.761 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 -8.071 -10.706 -12.227 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -10.160 -14.432 -13.438 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -11.089 -14.510 -13.701 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -9.666 -14.802 -14.194 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -6.335 -13.442 -13.916 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -6.648 -14.216 -13.434 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -6.715 -12.680 -13.419 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -9.164 -11.653 -0.302 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -9.800 -10.928 -0.318 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -8.576 -11.439 0.431 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -4.284 -14.330 -3.648 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -4.998 -13.683 -3.462 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 -4.534 -14.712 -4.507 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -0.375 -13.613 -2.063 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -0.238 -13.100 -1.225 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -1.109 -14.228 -1.843 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 -0.844 -12.084 -16.126 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 -0.371 -11.673 -15.369 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 -0.127 -12.388 -16.714 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 -7.115 -15.457 -9.909 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -6.173 -15.711 -9.850 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -7.422 -15.465 -8.979 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -0.459 -15.403 -20.352 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -0.846 -14.501 -20.279 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 0.422 -15.314 -19.937 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 1.641 -14.763 -3.759 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 0.844 -14.516 -3.251 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 2.374 -14.636 -3.122 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 -9.502 -11.693 -14.563 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 -8.698 -11.705 -14.011 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 -9.989 -12.482 -14.286 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 2.608 -17.242 -7.349 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 2.677 -18.199 -7.371 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 1.842 -17.041 -7.925 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -12.805 -16.180 -6.779 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -13.358 -16.678 -7.418 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -12.017 -15.914 -7.299 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 -8.194 -13.564 -1.961 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 -9.005 -13.911 -2.385 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 -8.528 -12.893 -1.323 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 -9.826 -8.844 -2.707 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 -9.181 -8.159 -2.504 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 -9.371 -9.414 -3.364 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -12.578 -8.630 -2.323 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -12.943 -9.226 -3.000 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 -11.603 -8.691 -2.450 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -8.700 -10.418 -4.757 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -8.440 -10.277 -5.673 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -9.611 -10.789 -4.820 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -11.324 -11.193 -4.981 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -11.474 -12.122 -5.250 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -12.225 -10.820 -4.894 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 6.360 -12.620 -11.618 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 5.814 -12.495 -12.424 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 6.424 -13.573 -11.522 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 6.083 -13.085 -0.994 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 6.758 -12.861 -1.648 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 6.036 -12.289 -0.416 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 2.710 -12.724 0.687 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 2.971 -13.358 -0.007 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 3.323 -12.915 1.430 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -2.721 -15.008 -1.523 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -3.099 -15.802 -1.126 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -3.305 -14.824 -2.295 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 -1.227 -11.185 2.404 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 -1.727 -11.969 2.737 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 -1.182 -10.594 3.162 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 4.651 -13.220 2.579 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 4.640 -13.525 3.492 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 5.182 -13.903 2.102 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -2.820 -13.273 3.042 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -3.200 -13.376 2.140 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -3.305 -13.907 3.576 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 -2.958 -10.814 0.245 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 -3.411 -11.676 0.276 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 -2.285 -10.874 0.952 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 -12.047 -3.281 -42.724 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 -12.640 -3.319 -43.502 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 -12.656 -3.190 -41.969 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -13.178 0.883 -45.336 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -12.796 0.135 -45.852 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -13.305 1.577 -45.987 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -4.514 -7.627 -45.643 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -4.554 -8.248 -46.397 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -3.817 -6.982 -45.902 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -9.923 -0.124 -47.993 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -9.246 0.329 -47.481 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -9.674 0.031 -48.909 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 -9.580 0.348 -42.909 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 -8.655 0.191 -43.209 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 -9.713 1.306 -43.045 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -12.144 -1.172 -46.776 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -11.346 -0.819 -47.228 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -12.076 -2.140 -46.896 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 -9.982 2.741 -37.906 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -10.197 1.955 -37.353 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 -10.805 3.268 -37.896 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -5.457 -8.377 -43.097 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -6.235 -7.797 -42.903 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -5.110 -8.034 -43.951 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 -6.963 -0.080 -43.543 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 -6.129 0.364 -43.710 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 -6.796 -0.599 -42.719 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -5.988 4.757 -35.180 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -6.934 4.498 -35.127 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -6.013 5.684 -35.432 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -7.971 3.093 -39.576 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -7.220 3.378 -39.048 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -8.699 2.969 -38.915 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 -12.695 3.824 -40.692 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 -12.483 2.933 -41.032 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 -11.829 4.276 -40.660 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 -4.719 -8.392 -37.884 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 -4.581 -8.501 -38.851 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 -4.285 -7.539 -37.678 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -7.717 -4.161 -42.519 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -8.273 -3.396 -42.259 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 -7.792 -4.188 -43.503 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 -0.985 -6.633 -34.704 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 -1.285 -7.471 -35.099 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 -1.014 -5.994 -35.446 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -9.634 -2.239 -41.843 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -9.583 -1.323 -42.192 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -10.518 -2.554 -42.128 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 -11.769 -7.047 -43.848 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 -11.927 -7.550 -44.678 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 -11.353 -6.209 -44.153 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 -2.810 -5.748 -46.687 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 -3.174 -5.135 -47.333 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 -1.972 -5.351 -46.428 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -6.893 -6.435 -46.409 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -7.337 -7.253 -46.702 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -6.034 -6.743 -46.061 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 -10.566 -4.715 -44.617 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 -10.837 -4.174 -43.845 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 -9.596 -4.566 -44.687 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 -7.756 0.169 -39.236 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 -7.884 1.092 -39.529 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 -8.600 -0.057 -38.773 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 -10.265 3.136 -43.183 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 -10.120 3.805 -43.860 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 -10.149 3.626 -42.333 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -8.201 -2.808 -35.610 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -8.259 -2.285 -36.424 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -8.367 -2.165 -34.900 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -9.957 4.550 -40.891 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -10.200 5.227 -40.219 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -9.184 4.090 -40.499 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 -6.186 -3.793 -40.154 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 -6.579 -4.489 -39.595 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -6.487 -4.018 -41.059 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -6.302 -1.902 -38.100 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -6.179 -2.613 -38.764 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -6.821 -1.222 -38.574 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 -11.104 6.019 -38.881 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 -11.574 5.327 -38.374 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 -11.394 6.844 -38.473 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 -8.671 4.147 -34.957 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 -9.538 4.570 -35.165 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 -8.886 3.203 -34.864 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -7.578 0.293 -36.262 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -6.850 0.025 -36.839 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -8.385 0.059 -36.773 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -9.138 -2.900 -39.169 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -9.434 -2.119 -38.652 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 -9.304 -2.647 -40.101 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -2.726 -2.957 -35.038 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -2.751 -2.003 -34.905 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -3.608 -3.170 -35.426 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 -9.024 -5.413 -35.974 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 -8.214 -5.852 -35.650 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 -8.875 -4.464 -35.774 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 -6.391 -1.189 -41.171 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 -6.219 -2.061 -40.767 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 -6.854 -0.685 -40.468 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -7.909 -5.218 -38.436 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 -8.482 -5.438 -37.672 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -8.317 -4.398 -38.805 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -6.474 -6.396 -36.252 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -5.511 -6.478 -36.354 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -6.776 -6.058 -37.115 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 -12.121 1.450 -41.977 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 -11.667 2.026 -42.628 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -11.600 0.629 -41.991 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -7.909 -4.268 -45.133 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -7.487 -5.072 -45.526 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -7.746 -3.575 -45.779 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -10.183 -7.582 -41.632 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -10.672 -7.494 -42.478 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -10.853 -7.436 -40.957 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 -1.019 7.962 -42.173 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 -0.267 7.471 -42.503 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 -0.702 8.374 -41.369 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -7.605 -6.905 -42.322 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -8.518 -7.145 -42.055 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 -7.601 -5.924 -42.304 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 -7.781 -9.011 -47.125 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 -8.692 -9.060 -47.460 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -7.741 -9.721 -46.454 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -5.101 -9.110 -47.946 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -6.046 -9.125 -47.675 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -5.116 -8.743 -48.837 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 -0.819 -2.527 -26.788 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -0.348 -3.327 -26.499 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 -0.429 -1.819 -26.263 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -8.503 -2.783 -25.013 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -8.973 -3.559 -24.635 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -9.111 -2.444 -25.695 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -10.760 0.238 -24.391 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -10.790 0.482 -23.460 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -9.813 0.351 -24.638 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -10.462 -1.522 -26.572 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -11.209 -2.120 -26.783 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -10.766 -1.025 -25.785 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -1.812 -6.592 -25.324 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -2.425 -7.139 -24.787 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -2.189 -6.633 -26.231 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -3.393 -4.094 -32.480 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -3.454 -3.276 -31.937 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -2.987 -3.794 -33.314 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 -3.335 -6.727 -33.272 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 -3.565 -5.857 -32.883 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 -2.430 -6.595 -33.622 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -13.210 -2.048 -24.315 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -12.635 -1.479 -23.797 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -13.850 -2.414 -23.653 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -3.533 -1.903 -30.853 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -4.128 -1.265 -30.448 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -3.073 -2.323 -30.091 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -8.787 3.558 -24.450 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -8.947 4.477 -24.763 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -8.703 3.656 -23.478 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 0.409 -5.030 -26.037 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -0.322 -5.641 -25.803 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 0.718 -4.685 -25.172 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -11.431 4.762 -21.751 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -11.516 4.155 -20.999 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -10.472 4.757 -21.951 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 -13.424 0.416 -33.812 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 -13.457 0.846 -34.688 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 -13.927 1.023 -33.230 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 2.437 -6.986 -25.025 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 2.142 -6.367 -25.705 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 2.258 -7.872 -25.412 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -5.132 -3.515 -36.219 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -5.908 -3.874 -35.756 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -5.513 -2.856 -36.846 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 0.721 -2.441 -21.201 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 1.447 -2.053 -20.668 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 0.027 -2.648 -20.542 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -7.891 -0.424 -30.722 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -8.090 -0.416 -29.764 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -8.137 0.474 -31.023 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 -8.986 0.097 -28.181 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 -9.717 0.475 -28.712 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 -9.430 -0.553 -27.592 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 -8.408 1.652 -19.355 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 -9.321 2.001 -19.381 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 -8.415 0.916 -19.985 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 -7.716 7.749 -16.936 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 -6.766 7.708 -16.781 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 -8.109 7.391 -16.107 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -11.775 -1.920 -29.953 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 -11.910 -1.875 -30.926 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -11.319 -1.088 -29.742 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 -10.829 5.315 -27.231 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 -10.972 4.371 -27.007 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 -11.665 5.759 -26.950 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 3.383 -5.622 -18.245 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 2.582 -6.165 -18.412 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 4.056 -6.275 -17.947 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -10.932 3.094 -19.394 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -10.494 3.622 -18.687 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -11.856 3.049 -19.116 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -0.963 -5.999 -20.081 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -0.923 -5.936 -21.058 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -1.012 -5.066 -19.780 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 -1.344 -4.710 -36.655 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 -0.655 -4.207 -37.101 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 -1.750 -4.064 -36.032 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -11.845 -1.411 -32.589 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -12.348 -0.676 -33.006 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -10.931 -1.282 -32.899 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -5.515 -3.630 -20.617 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -5.947 -4.470 -20.394 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -4.614 -3.733 -20.294 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 -0.326 -5.211 -28.739 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 0.282 -5.762 -29.280 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 0.156 -5.080 -27.898 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -9.750 -9.174 -33.801 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -9.675 -9.643 -32.946 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -9.423 -8.264 -33.601 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 -0.700 -5.909 -22.827 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 -1.249 -6.129 -23.604 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 -0.194 -5.116 -23.112 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 -4.070 -5.211 -29.882 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -3.891 -4.993 -30.817 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 -3.645 -4.481 -29.384 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -12.298 -4.448 -29.049 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -12.540 -4.177 -28.139 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -12.082 -3.598 -29.495 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 -9.373 -3.904 -32.704 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 -9.227 -2.979 -32.987 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 -10.228 -4.150 -33.123 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 -2.337 -3.338 -28.871 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 -1.606 -3.959 -29.078 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 -2.020 -2.865 -28.068 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -8.267 -4.436 -30.280 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -8.210 -3.577 -29.842 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -8.623 -4.227 -31.176 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 -4.318 3.897 -33.193 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 -4.291 2.956 -33.373 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 -4.877 4.263 -33.915 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -8.240 0.920 -25.267 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -8.207 0.844 -26.236 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -8.235 1.886 -25.100 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -6.800 -1.158 -20.612 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -7.011 -1.009 -21.561 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -6.345 -2.027 -20.605 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 5.081 1.694 -20.579 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 5.147 2.605 -20.882 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 5.281 1.743 -19.621 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -14.215 8.535 -23.099 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -14.779 7.813 -23.423 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -14.804 9.049 -22.510 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 -5.995 7.600 -30.936 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 -5.459 6.775 -30.979 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 -5.365 8.275 -30.679 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 -4.418 5.388 -30.904 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 -4.325 4.952 -31.782 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 -4.478 4.658 -30.285 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -10.895 0.829 -30.053 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -10.255 1.282 -30.647 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -11.735 1.266 -30.233 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 -2.526 -6.669 -28.018 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 -1.819 -6.060 -28.322 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 -3.283 -6.462 -28.602 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -8.909 -6.701 -33.079 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -9.155 -5.756 -33.091 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -8.016 -6.707 -32.707 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 1.122 -7.159 -18.662 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 0.364 -6.801 -19.181 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 1.452 -7.904 -19.204 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 -9.160 1.339 -34.398 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 -8.371 1.081 -34.937 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 -9.923 1.204 -35.018 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -8.348 4.496 -32.227 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 -8.470 5.429 -31.958 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 -8.388 4.523 -33.201 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -7.855 7.042 -19.667 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -7.821 7.314 -18.729 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -7.684 6.081 -19.643 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -6.234 0.249 -18.285 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -6.865 0.976 -18.465 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -6.296 -0.320 -19.088 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -8.977 1.904 -31.745 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -9.096 1.772 -32.710 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -8.701 2.850 -31.668 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 -9.026 -1.187 -33.187 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 -8.533 -1.076 -32.341 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 -9.035 -0.289 -33.574 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -1.435 -1.878 -16.827 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -2.373 -1.597 -16.939 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -0.945 -1.031 -16.723 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -7.472 -0.935 -23.288 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -7.714 -1.729 -23.815 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -7.522 -0.205 -23.932 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 0.462 -6.601 -15.978 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 0.736 -6.816 -16.895 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 0.328 -5.631 -15.990 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 -0.731 -3.418 -19.044 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 -1.199 -2.903 -18.353 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 0.175 -3.525 -18.684 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -13.432 1.688 -36.278 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -13.790 1.225 -37.046 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -12.475 1.420 -36.258 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 2.692 -1.314 -19.573 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 2.631 -0.529 -18.972 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 3.653 -1.514 -19.602 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 -12.874 -2.875 -26.854 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 -13.037 -2.725 -25.892 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 -13.346 -2.155 -27.288 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 1.809 -3.411 -17.994 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 2.480 -4.128 -18.059 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 2.201 -2.669 -18.501 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 5.711 -4.036 -18.246 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 4.888 -4.546 -18.371 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 5.610 -3.268 -18.843 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 0.842 -3.832 -23.561 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 1.244 -3.063 -24.016 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 0.792 -3.543 -22.622 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 1.528 -1.201 -23.657 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 1.078 -1.435 -22.828 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 2.207 -0.553 -23.381 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 5.608 -9.421 -12.839 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 5.553 -10.365 -13.068 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 4.897 -9.294 -12.176 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 3.937 -9.521 -18.194 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 3.455 -9.271 -19.010 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 4.503 -8.744 -18.002 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -9.673 4.441 -17.380 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -9.039 3.856 -16.899 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -10.144 4.919 -16.666 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 -8.693 4.710 -21.965 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 -8.322 4.557 -21.068 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -8.374 5.592 -22.205 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 2.441 -9.017 -20.448 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 2.271 -8.345 -21.148 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 2.432 -9.859 -20.923 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -11.886 6.934 -23.453 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -11.798 6.182 -22.825 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -12.590 7.487 -23.063 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -12.884 6.635 -26.027 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -12.597 6.774 -25.102 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -13.601 7.291 -26.157 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -10.798 2.713 -26.131 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -10.089 3.045 -25.547 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -11.060 1.872 -25.729 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 1.372 -9.311 -25.978 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 0.807 -9.511 -25.207 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 0.748 -8.973 -26.653 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -10.273 -8.852 -28.981 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -10.254 -7.884 -29.190 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -9.804 -8.919 -28.142 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -6.437 -6.412 -30.818 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -5.624 -6.092 -30.377 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -7.127 -5.771 -30.539 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -0.213 -8.356 -28.005 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 0.305 -7.949 -28.734 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -1.074 -7.894 -28.036 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -14.812 2.509 -32.628 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -14.284 3.314 -32.505 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -15.274 2.657 -33.485 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -2.736 -8.905 -34.905 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -3.086 -8.241 -34.276 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -3.533 -9.349 -35.248 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -11.186 5.173 -35.223 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -11.915 5.107 -34.572 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -11.622 5.508 -36.029 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 -1.323 -5.334 -11.550 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 -1.652 -4.430 -11.533 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 -0.575 -5.307 -12.182 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -5.785 -1.312 -9.424 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -6.271 -0.760 -8.783 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -4.949 -1.535 -8.959 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 -0.410 3.916 -7.170 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 -0.981 4.683 -7.045 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 -0.695 3.287 -6.462 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 -9.855 2.605 -4.794 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 -10.779 2.760 -5.097 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 -9.419 3.452 -4.934 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 -0.405 0.232 -7.775 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 -1.022 -0.057 -7.078 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 0.480 0.138 -7.364 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 -8.490 -4.516 -3.710 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 -9.303 -4.862 -3.327 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 -8.800 -3.898 -4.406 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 0.082 1.491 -13.801 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 0.135 0.651 -13.332 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 -0.556 2.020 -13.271 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -8.003 0.449 -4.616 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -8.739 -0.142 -4.353 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -8.420 1.332 -4.670 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 -13.559 0.451 -13.015 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 -12.931 1.201 -12.978 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 -13.631 0.250 -13.969 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 4.092 0.582 -7.945 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 3.235 0.259 -7.607 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 3.851 1.114 -8.731 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 -1.643 2.777 -12.043 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 -2.627 2.831 -12.058 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 -1.426 2.585 -11.097 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 4.451 0.313 -5.196 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 5.074 -0.413 -4.980 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 4.607 0.485 -6.147 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 -0.880 2.352 -9.454 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 -0.692 3.023 -8.768 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -0.823 1.498 -8.970 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 -0.399 0.632 -16.379 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 -0.881 1.342 -16.813 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -0.161 1.002 -15.503 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -7.415 -0.378 -7.217 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -7.428 0.016 -6.320 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -8.341 -0.284 -7.531 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 1.922 -0.095 -6.349 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 1.454 -0.836 -5.894 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 2.626 0.158 -5.722 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 0.846 -5.339 -13.354 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 0.761 -4.613 -14.004 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 0.912 -6.138 -13.903 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -10.443 -0.587 -3.872 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -10.726 -0.777 -2.946 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -10.763 0.312 -4.035 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 3.581 -9.096 -10.967 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 2.941 -8.352 -11.002 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 4.095 -8.930 -10.151 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 2.669 2.629 -13.579 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 1.777 2.290 -13.781 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 2.520 3.284 -12.870 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -10.913 2.179 -7.996 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -11.465 2.388 -7.221 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -10.609 1.262 -7.835 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -10.672 5.878 -10.466 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -10.835 6.234 -9.584 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -11.255 6.415 -11.052 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 3.853 -3.801 -3.057 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 4.239 -4.094 -3.906 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 3.825 -4.615 -2.510 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 -17.109 3.610 -2.092 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 -18.029 3.305 -1.996 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 -17.109 4.113 -2.934 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 0.295 -3.810 -15.754 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -0.463 -3.220 -15.957 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 0.945 -3.611 -16.464 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -4.355 3.101 -12.220 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -4.750 2.685 -12.994 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -5.126 3.386 -11.683 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -4.028 -1.610 -2.307 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -3.901 -2.419 -1.768 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -3.581 -0.906 -1.788 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -10.250 -3.005 -5.269 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -10.400 -2.188 -4.751 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -10.934 -2.973 -5.974 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 -1.398 0.349 -3.218 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 -0.503 0.249 -2.824 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 -1.993 0.397 -2.444 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 -8.605 -1.120 -0.494 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 -7.990 -0.860 -1.209 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 -9.487 -0.852 -0.823 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 -3.765 -2.106 -7.767 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 -4.010 -2.499 -6.915 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 -2.931 -1.651 -7.587 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 -11.188 1.813 -12.743 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 -11.094 0.885 -12.456 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 -11.010 2.336 -11.923 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -0.202 -8.375 -14.029 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -1.083 -8.056 -13.801 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 0.049 -7.844 -14.819 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 -2.035 -0.872 -5.595 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 -1.861 -0.348 -4.782 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 -2.842 -1.381 -5.382 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 -0.590 -7.406 -9.944 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 -0.959 -7.389 -9.037 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 -1.003 -6.631 -10.388 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -10.122 -0.446 -7.657 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -10.561 -0.840 -8.453 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -10.455 -0.981 -6.922 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 -0.703 2.354 -4.990 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 -1.047 1.678 -4.374 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 0.259 2.313 -4.876 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 5.119 -1.717 -1.878 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 4.626 -2.349 -2.443 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 5.667 -2.292 -1.301 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 2.811 2.003 -9.949 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 2.726 2.811 -10.493 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 1.905 1.802 -9.686 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 -10.598 3.126 -10.525 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 -10.728 2.795 -9.608 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 -10.748 4.088 -10.456 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -11.341 -0.831 -11.942 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -11.328 -1.285 -11.061 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -12.287 -0.625 -12.089 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 0.553 -1.969 -4.981 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 0.684 -2.199 -4.040 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 -0.403 -1.805 -5.061 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 -0.210 5.046 -12.437 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 -0.757 4.237 -12.325 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 -0.832 5.712 -12.741 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -5.524 -4.710 -3.997 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -6.364 -4.695 -4.487 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -5.770 -4.409 -3.101 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 5.110 1.522 -12.922 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 4.283 1.897 -13.302 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 4.882 1.336 -12.004 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -12.356 3.173 -5.799 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -13.202 2.970 -5.343 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -12.564 3.968 -6.344 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -3.988 -0.859 -17.054 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -4.464 -0.900 -16.219 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -4.612 -0.406 -17.660 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 -6.544 4.001 -10.808 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -7.079 3.512 -10.169 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 -7.203 4.533 -11.314 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 0.390 -11.030 -13.914 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 0.250 -10.058 -13.996 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 1.238 -11.110 -13.421 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 -4.193 -2.485 -4.876 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 -4.104 -2.072 -3.985 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 -4.479 -3.406 -4.680 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -4.318 5.388 -9.917 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -3.629 4.801 -10.243 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -5.150 4.973 -10.224 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 -9.985 -8.538 -9.130 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 -10.100 -9.106 -8.360 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 -10.675 -8.826 -9.740 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -13.598 4.780 -13.878 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -12.721 5.064 -14.193 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -14.054 5.612 -13.664 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 -11.277 -0.780 -1.268 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 -11.694 -1.578 -0.876 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 -11.814 -0.035 -0.919 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 -7.804 4.334 -19.415 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 -7.710 3.359 -19.404 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 -8.423 4.518 -18.677 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 2.709 1.657 -3.567 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 3.471 1.207 -3.992 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 2.461 2.357 -4.204 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 -12.194 -3.230 -0.129 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 -12.514 -3.355 0.790 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 -11.232 -3.427 -0.071 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 -6.904 0.307 -15.500 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -6.723 0.155 -16.449 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -7.745 -0.151 -15.338 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 -6.622 -2.800 -6.148 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 -6.932 -1.982 -6.583 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 -5.815 -2.529 -5.680 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 -9.521 -3.521 0.396 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 -9.380 -3.530 1.347 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 -9.069 -2.703 0.092 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 -6.658 -3.594 -1.753 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 -7.455 -3.976 -2.175 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 -6.792 -2.626 -1.829 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 -6.718 -0.900 -2.496 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 -5.744 -0.982 -2.542 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 -6.954 -0.385 -3.294 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 -2.831 0.318 -0.783 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 -3.433 0.842 -0.243 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 -1.957 0.407 -0.324 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 1.046 0.152 -2.007 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 1.689 0.693 -2.526 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 1.366 -0.772 -2.116 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 -4.202 -3.856 -0.630 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 -4.266 -3.900 0.331 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 -5.141 -3.822 -0.933 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 0.327 -7.315 -0.161 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 0.100 -6.382 -0.286 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 -0.523 -7.793 -0.320 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 1.301 -9.220 -1.897 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 0.617 -9.147 -2.599 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 1.027 -8.556 -1.229 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 -12.425 -4.291 5.291 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 -13.178 -3.736 5.580 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 -12.521 -5.104 5.793 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 -3.626 -6.443 -1.560 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 -4.116 -6.409 -2.390 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 -3.635 -5.519 -1.240 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 -1.945 -8.574 -0.987 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 -2.668 -7.918 -1.096 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 -2.389 -9.360 -0.591 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 -7.929 2.849 -16.020 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 -7.455 2.024 -15.803 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 -8.449 3.047 -15.212 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 -13.661 6.733 -9.573 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 -14.033 5.868 -9.871 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 -13.246 7.102 -10.383 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 6.526 -1.510 -5.273 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 6.869 -2.286 -5.748 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 7.051 -0.764 -5.623 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 1.981 3.208 -5.788 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 1.249 3.590 -6.312 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 2.685 3.071 -6.430 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 3.753 -0.364 0.018 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 3.709 0.547 -0.288 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 4.253 -0.830 -0.692 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 3.905 -5.959 -1.331 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 4.772 -5.848 -0.885 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 4.022 -6.768 -1.880 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 1.879 -6.900 -11.095 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 1.082 -7.121 -10.561 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 1.537 -6.328 -11.808 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 -12.620 -3.920 2.572 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 -12.314 -3.909 3.505 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 -12.812 -4.872 2.400 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 5.040 -6.095 2.379 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 5.152 -6.607 3.188 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 4.191 -6.430 1.997 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 2.867 -7.000 1.029 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 1.923 -7.212 0.898 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 3.198 -6.837 0.130 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 4.147 -5.922 -9.763 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 4.674 -6.730 -9.595 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 3.331 -6.255 -10.188 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 -5.343 6.965 -7.901 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 -5.384 7.787 -8.388 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 -4.921 6.338 -8.523 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 -0.010 -9.989 -10.828 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 -0.193 -9.164 -10.331 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 -0.005 -9.711 -11.750 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 -13.621 -8.212 0.302 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 -13.135 -8.468 -0.508 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 -14.492 -7.904 -0.030 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 -9.721 3.643 -14.123 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 -10.324 4.337 -14.486 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 -10.330 2.971 -13.738 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 0.076 -12.258 0.206 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 0.994 -12.432 0.499 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 -0.338 -11.809 0.970 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 -0.381 0.736 0.251 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 0.222 1.205 0.833 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 0.175 0.491 -0.525 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 2.916 -2.331 1.695 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 3.246 -1.640 1.071 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 2.419 -1.835 2.353 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 1.835 -4.194 -0.199 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 2.533 -4.844 -0.378 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 2.195 -3.648 0.528 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 1.496 -2.548 -2.398 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 1.350 -3.051 -1.568 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 2.328 -2.924 -2.757 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 -10.919 17.185 -25.742 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 -10.268 16.544 -25.381 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 -11.737 17.002 -25.233 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 -12.271 15.124 -32.117 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 -11.487 14.752 -31.638 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 -12.638 14.366 -32.588 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 -15.422 18.132 -29.777 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 -14.620 17.575 -29.898 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 -15.317 18.494 -28.867 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1139 -13.183 16.566 -29.914 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1139 -12.356 16.811 -29.431 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1139 -12.872 15.991 -30.640 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1140 -11.762 9.972 -23.491 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1140 -11.327 9.112 -23.409 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1140 -12.711 9.755 -23.509 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1141 -10.886 16.969 -28.491 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1141 -11.000 17.096 -27.525 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1141 -9.943 16.818 -28.598 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1142 -11.666 18.764 -23.002 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1142 -10.778 18.431 -23.164 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1142 -12.257 18.043 -23.319 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1143 -12.615 13.281 -26.545 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1143 -13.074 14.074 -26.924 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1143 -13.278 12.586 -26.577 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1144 -15.910 12.392 -32.858 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1144 -16.622 12.047 -33.440 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1144 -16.154 13.326 -32.714 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1145 -10.520 12.963 -28.246 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1145 -11.321 13.142 -27.709 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1145 -9.979 12.404 -27.679 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1146 -13.057 16.717 -24.097 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1146 -12.855 15.767 -23.920 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1146 -13.923 16.695 -24.558 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1147 -9.596 6.162 -24.876 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1147 -9.950 6.086 -25.784 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1147 -10.327 6.570 -24.370 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1148 -10.962 17.298 -18.811 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1148 -11.501 16.567 -18.497 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1148 -11.573 17.828 -19.359 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1149 -12.243 14.159 -23.990 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1149 -12.340 13.775 -24.889 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1149 -11.776 13.456 -23.478 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1150 -9.688 15.153 -24.340 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1150 -9.125 14.396 -24.144 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1150 -10.581 14.858 -24.073 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1151 -10.525 12.391 -22.954 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1151 -10.035 12.243 -22.113 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1151 -10.896 11.507 -23.173 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1152 -9.271 11.738 -20.620 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1152 -9.015 12.034 -19.742 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1152 -9.326 10.761 -20.537 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1153 -9.558 9.080 -20.123 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1153 -8.906 8.340 -20.138 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1153 -10.365 8.696 -20.528 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1154 -14.560 18.606 -27.256 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1154 -14.957 18.153 -26.497 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1154 -13.811 19.110 -26.870 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1155 -10.279 13.901 -30.768 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1155 -10.422 13.681 -29.816 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1155 -9.585 13.297 -31.046 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1156 -13.935 15.378 -27.523 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1156 -14.309 16.088 -26.973 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1156 -13.743 15.814 -28.379 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1157 -8.625 7.202 -31.600 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1157 -7.684 7.454 -31.452 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1157 -8.993 7.112 -30.689 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1158 -9.163 6.662 -29.001 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1158 -9.863 6.253 -28.448 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1158 -8.351 6.260 -28.685 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1159 -10.377 7.733 -33.675 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1159 -9.766 7.646 -32.911 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1159 -10.260 6.910 -34.169 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1160 -9.379 9.999 -17.547 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1160 -9.524 9.740 -18.479 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1160 -8.792 9.302 -17.198 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1161 -14.715 14.261 -13.633 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1161 -14.049 14.148 -14.350 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1161 -14.985 15.203 -13.705 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1162 -12.723 10.762 -9.016 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1162 -12.286 10.519 -9.857 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1162 -13.197 11.595 -9.225 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1163 -16.739 12.445 -13.398 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1163 -16.747 12.116 -14.325 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1163 -16.001 13.099 -13.382 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1164 -11.725 10.229 -11.660 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1164 -12.168 11.034 -12.022 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1164 -11.045 10.014 -12.331 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1165 -12.801 13.709 -15.549 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1165 -13.098 14.084 -16.407 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1165 -12.121 13.051 -15.797 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1166 -10.279 9.298 -13.886 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1166 -9.500 8.734 -14.028 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1166 -11.037 8.730 -14.156 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1167 -10.873 11.527 -15.675 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1167 -10.361 11.140 -16.413 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1167 -10.652 10.962 -14.915 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1168 -15.772 10.623 -10.071 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1168 -15.888 10.329 -11.000 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1168 -15.182 11.395 -10.138 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1169 -13.130 10.018 -6.429 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1169 -13.059 10.891 -6.036 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1169 -13.038 10.183 -7.400 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1170 -8.565 5.229 -12.181 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1170 -8.949 4.535 -12.763 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1170 -9.297 5.459 -11.567 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1171 -8.654 6.882 -14.467 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1171 -9.514 6.462 -14.711 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1171 -8.384 6.410 -13.654 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1172 3.727 -15.483 -5.589 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1172 3.381 -16.179 -6.196 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1172 2.999 -15.341 -4.955 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1173 5.680 -13.403 -4.951 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1173 5.506 -13.352 -5.908 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1173 5.130 -14.146 -4.653 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1174 9.339 -12.904 -6.079 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1174 9.865 -13.713 -6.085 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1174 9.882 -12.261 -6.554 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1175 7.598 -11.656 -4.327 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1175 8.324 -12.058 -4.848 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1175 6.861 -12.310 -4.404 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1176 5.816 -10.924 0.704 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1176 5.597 -11.337 1.554 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1176 4.947 -10.594 0.364 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1177 6.982 -10.570 -9.912 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1177 6.788 -11.229 -10.618 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1177 7.129 -11.121 -9.112 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1178 7.190 -12.415 -7.909 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1178 7.784 -12.780 -7.237 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1178 6.425 -13.029 -7.912 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1179 4.772 -8.170 -2.621 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1179 5.382 -7.797 -3.293 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1179 5.367 -8.484 -1.906 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1180 5.703 -9.999 -5.463 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1180 4.962 -10.250 -4.872 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1180 6.432 -10.588 -5.193 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1181 6.265 -0.790 -16.874 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1181 6.497 -0.298 -16.057 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1181 6.403 -1.728 -16.630 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1182 3.093 0.286 -21.910 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1182 3.833 0.846 -21.605 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1182 2.815 -0.191 -21.115 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1183 5.417 -1.497 -19.429 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1183 5.675 -0.797 -20.049 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1183 5.750 -1.182 -18.559 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1184 6.898 -3.341 -15.910 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1184 6.787 -4.046 -15.256 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1184 6.576 -3.741 -16.753 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1185 8.726 -1.676 -14.680 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1185 8.178 -0.878 -14.533 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1185 8.125 -2.295 -15.143 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1186 5.696 -7.542 -14.800 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1186 6.029 -6.786 -14.282 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1186 5.666 -8.280 -14.151 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1187 5.370 -7.293 -17.453 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1187 5.441 -7.432 -16.474 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1187 6.255 -7.017 -17.715 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1188 3.061 0.784 -17.914 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1188 3.900 1.283 -17.897 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1188 2.609 1.054 -17.106 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1189 9.703 -2.426 -3.735 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1189 9.005 -1.947 -3.233 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1189 10.206 -1.713 -4.185 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1190 7.897 0.703 -6.235 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1190 8.046 1.645 -6.381 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1190 8.730 0.278 -6.542 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1191 13.168 -4.126 -7.822 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1191 13.985 -4.631 -7.807 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1191 12.570 -4.615 -7.208 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1192 11.404 -5.549 -6.354 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1192 10.730 -5.937 -6.941 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1192 10.924 -5.392 -5.520 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1193 9.201 -4.964 -4.704 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1193 8.853 -5.298 -3.855 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1193 9.377 -4.012 -4.530 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1194 11.127 -2.636 -8.842 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1194 11.928 -3.065 -8.454 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1194 11.223 -2.783 -9.807 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1195 11.056 -0.266 -4.782 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1195 10.475 0.336 -4.266 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1195 11.961 -0.080 -4.441 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1196 10.036 -4.008 -1.534 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1196 10.514 -3.493 -0.880 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1196 10.072 -3.459 -2.346 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1197 7.841 -0.371 -8.947 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1197 8.696 -0.430 -8.473 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1197 7.238 0.021 -8.298 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1198 7.862 -1.266 -2.067 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1198 6.934 -1.191 -2.369 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1198 7.806 -1.847 -1.283 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1199 8.904 0.850 -3.517 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1199 8.209 0.879 -4.191 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1199 8.545 0.252 -2.829 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1200 13.684 -0.127 -4.035 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1200 14.053 -0.834 -4.575 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1200 14.445 0.254 -3.588 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1201 10.861 -3.658 -11.402 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1201 10.919 -3.225 -12.282 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1201 11.328 -4.516 -11.528 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1202 8.031 -5.639 -2.275 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1202 8.789 -5.107 -1.927 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1202 7.492 -5.825 -1.483 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1203 9.624 -6.503 -10.563 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1203 10.453 -6.603 -11.067 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1203 9.059 -7.250 -10.877 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1204 13.104 -6.546 -14.232 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1204 12.726 -5.800 -14.756 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1204 13.671 -7.006 -14.854 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1205 12.040 -4.471 -15.597 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1205 11.504 -4.291 -16.373 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1205 11.777 -3.776 -14.957 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1206 8.834 -6.077 -7.248 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1206 8.223 -6.839 -7.171 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1206 8.777 -5.635 -6.371 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1207 10.047 -0.613 -7.283 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1207 10.539 -1.272 -7.819 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1207 10.560 -0.557 -6.442 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1208 6.757 -3.162 -0.250 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1208 6.413 -3.022 0.663 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1208 6.819 -4.129 -0.330 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1209 6.630 -8.624 -0.635 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1209 6.522 -9.428 -0.082 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1209 7.256 -8.902 -1.346 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1210 7.876 2.563 -16.372 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1210 8.054 3.441 -15.958 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1210 8.702 2.341 -16.815 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1211 11.157 -2.471 -13.889 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1211 10.241 -2.215 -14.165 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1211 11.638 -1.636 -13.870 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1212 5.531 -8.320 -9.130 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1212 5.980 -8.066 -8.298 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1212 6.063 -9.077 -9.467 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1213 8.475 4.964 -15.217 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1213 8.059 5.176 -14.374 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1213 8.916 5.781 -15.478 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1214 7.048 0.557 -14.598 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1214 6.353 0.891 -13.981 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1214 7.345 1.357 -15.078 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1215 5.455 -3.372 2.122 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1215 4.551 -3.002 2.097 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1215 5.323 -4.312 2.350 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1216 7.195 -1.024 -11.525 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1216 7.451 -0.672 -10.645 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1216 7.273 -0.269 -12.116 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1217 5.694 1.716 -17.887 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1217 6.361 2.242 -17.400 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1217 5.839 0.800 -17.569 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1218 6.355 -6.004 -0.054 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1218 6.519 -6.970 -0.191 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1218 6.065 -5.943 0.884 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1219 6.420 -6.616 -4.221 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1219 5.950 -5.832 -4.577 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1219 7.048 -6.241 -3.561 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1220 3.516 -10.243 -3.904 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1220 2.949 -10.863 -3.395 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1220 3.811 -9.584 -3.237 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1221 6.730 -7.832 -6.666 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1221 6.394 -8.729 -6.426 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1221 6.635 -7.319 -5.838 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1222 7.948 -8.500 -11.459 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1222 7.245 -8.629 -12.122 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1222 7.830 -9.250 -10.842 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1223 2.171 4.305 -11.420 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1223 2.585 5.143 -11.194 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1223 1.278 4.562 -11.759 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1224 12.141 -6.090 -11.749 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1224 12.430 -6.285 -12.675 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1224 12.876 -6.393 -11.207 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1225 7.830 -9.268 -2.965 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1225 8.041 -8.644 -3.669 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1225 7.822 -10.141 -3.411 1.00 0.00 WAT1 END