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: -466.099, 67.7205, 100.011, 58.452, 542.037, -540.623, -696.645, 2.49618, 0.452402 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 5.995419E-03,0.439721,1.26879,41.9807,4.020815E-03,0.223995 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 32, 10 REMARK =============================================================== REMARK DATE:22-Jan-2010 14:19:34 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 0.510 -16.640 -8.021 1.00 70.02 ATOM 2 CB MET 1 1.763 -15.071 -7.261 1.00 0.24 ATOM 3 HB1 MET 1 1.888 -15.464 -6.261 1.00 37.61 ATOM 4 HB2 MET 1 1.730 -13.991 -7.207 1.00 5.14 ATOM 5 CG MET 1 2.979 -15.469 -8.083 1.00 44.31 ATOM 6 HG1 MET 1 3.867 -15.077 -7.607 1.00 37.61 ATOM 7 HG2 MET 1 2.885 -15.043 -9.071 1.00 0.41 ATOM 8 SD MET 1 3.149 -17.258 -8.242 1.00 35.51 ATOM 9 CE MET 1 4.716 -17.376 -9.107 1.00 61.22 ATOM 10 HE1 MET 1 4.964 -18.416 -9.262 1.00 24.24 ATOM 11 HE2 MET 1 5.490 -16.906 -8.517 1.00 53.34 ATOM 12 HE3 MET 1 4.640 -16.878 -10.063 1.00 64.14 ATOM 13 C MET 1 -0.689 -15.337 -6.815 1.00 31.42 ATOM 14 O MET 1 -1.314 -14.278 -6.813 1.00 72.22 ATOM 15 N MET 1 0.138 -14.901 -9.127 1.00 63.05 ATOM 16 HT1 MET 1 0.903 -15.081 -9.810 1.00 37.61 ATOM 17 HT2 MET 1 0.053 -13.873 -8.987 1.00 37.61 ATOM 18 HT3 MET 1 -0.753 -15.256 -9.525 1.00 37.61 ATOM 19 CA MET 1 0.432 -15.578 -7.834 1.00 55.43 ATOM 20 N ALA 2 -0.926 -16.317 -5.943 1.00 4.31 ATOM 21 HN ALA 2 -0.376 -17.129 -5.982 1.00 37.61 ATOM 22 CA ALA 2 -1.974 -16.219 -4.917 1.00 3.05 ATOM 23 HA ALA 2 -2.839 -15.749 -5.366 1.00 72.30 ATOM 24 CB ALA 2 -2.383 -17.615 -4.451 1.00 14.52 ATOM 25 HB1 ALA 2 -3.207 -17.539 -3.757 1.00 65.22 ATOM 26 HB2 ALA 2 -1.546 -18.095 -3.963 1.00 51.45 ATOM 27 HB3 ALA 2 -2.685 -18.205 -5.304 1.00 21.02 ATOM 28 C ALA 2 -1.516 -15.367 -3.722 1.00 43.53 ATOM 29 O ALA 2 -2.320 -14.682 -3.088 1.00 12.53 ATOM 30 N ALA 3 -0.218 -15.410 -3.426 1.00 72.41 ATOM 31 HN ALA 3 0.371 -15.991 -3.957 1.00 37.61 ATOM 32 CA ALA 3 0.357 -14.630 -2.320 1.00 54.32 ATOM 33 HA ALA 3 -0.398 -14.535 -1.551 1.00 61.30 ATOM 34 CB ALA 3 1.544 -15.381 -1.725 1.00 62.55 ATOM 35 HB1 ALA 3 1.230 -16.373 -1.431 1.00 35.24 ATOM 36 HB2 ALA 3 1.909 -14.850 -0.858 1.00 55.23 ATOM 37 HB3 ALA 3 2.332 -15.457 -2.460 1.00 0.24 ATOM 38 C ALA 3 0.781 -13.218 -2.770 1.00 30.01 ATOM 39 O ALA 3 1.501 -12.511 -2.054 1.00 64.24 ATOM 40 N SER 4 0.318 -12.807 -3.948 1.00 62.54 ATOM 41 HN SER 4 -0.270 -13.400 -4.458 1.00 37.61 ATOM 42 CA SER 4 0.652 -11.486 -4.503 1.00 13.04 ATOM 43 HA SER 4 1.089 -10.893 -3.711 1.00 54.23 ATOM 44 CB SER 4 1.673 -11.622 -5.641 1.00 72.33 ATOM 45 HB1 SER 4 1.903 -10.643 -6.037 1.00 37.61 ATOM 46 HB2 SER 4 1.257 -12.238 -6.426 1.00 3.55 ATOM 47 OG SER 4 2.875 -12.222 -5.183 1.00 33.32 ATOM 48 HG SER 4 3.630 -11.752 -5.552 1.00 73.42 ATOM 49 C SER 4 -0.600 -10.765 -5.013 1.00 33.00 ATOM 50 O SER 4 -1.652 -11.378 -5.193 1.00 70.30 ATOM 51 N THR 5 -0.480 -9.462 -5.243 1.00 34.14 ATOM 52 HN THR 5 0.392 -9.030 -5.106 1.00 37.61 ATOM 53 CA THR 5 -1.615 -8.644 -5.694 1.00 12.21 ATOM 54 HA THR 5 -2.494 -8.969 -5.151 1.00 70.54 ATOM 55 CB THR 5 -1.382 -7.145 -5.381 1.00 25.13 ATOM 56 HB THR 5 -0.521 -6.805 -5.940 1.00 61.43 ATOM 57 OG1 THR 5 -1.119 -6.976 -3.978 1.00 3.24 ATOM 58 HG1 THR 5 -0.959 -6.042 -3.791 1.00 61.24 ATOM 59 CG2 THR 5 -2.590 -6.300 -5.781 1.00 32.11 ATOM 60 HG21 THR 5 -2.768 -6.402 -6.842 1.00 52.23 ATOM 61 HG22 THR 5 -2.398 -5.263 -5.547 1.00 62.11 ATOM 62 HG23 THR 5 -3.462 -6.635 -5.237 1.00 41.04 ATOM 63 C THR 5 -1.872 -8.811 -7.200 1.00 10.35 ATOM 64 O THR 5 -1.004 -8.524 -8.024 1.00 63.43 ATOM 65 N VAL 6 -3.065 -9.281 -7.552 1.00 40.44 ATOM 66 HN VAL 6 -3.713 -9.507 -6.852 1.00 37.61 ATOM 67 CA VAL 6 -3.437 -9.475 -8.959 1.00 32.31 ATOM 68 HA VAL 6 -2.592 -9.931 -9.461 1.00 74.41 ATOM 69 CB VAL 6 -4.651 -10.435 -9.088 1.00 4.45 ATOM 70 HB VAL 6 -4.378 -11.379 -8.634 1.00 54.11 ATOM 71 CG1 VAL 6 -5.868 -9.889 -8.337 1.00 35.12 ATOM 72 HG11 VAL 6 -6.144 -8.927 -8.746 1.00 33.43 ATOM 73 HG12 VAL 6 -5.626 -9.776 -7.289 1.00 53.41 ATOM 74 HG13 VAL 6 -6.696 -10.575 -8.441 1.00 40.02 ATOM 75 CG2 VAL 6 -4.991 -10.701 -10.558 1.00 23.34 ATOM 76 HG21 VAL 6 -5.828 -11.383 -10.619 1.00 42.40 ATOM 77 HG22 VAL 6 -4.136 -11.138 -11.055 1.00 34.23 ATOM 78 HG23 VAL 6 -5.249 -9.770 -11.044 1.00 62.22 ATOM 79 C VAL 6 -3.759 -8.137 -9.654 1.00 55.42 ATOM 80 O VAL 6 -4.395 -7.255 -9.072 1.00 60.20 ATOM 81 N HIS 7 -3.301 -7.982 -10.897 1.00 21.14 ATOM 82 HN HIS 7 -2.752 -8.694 -11.292 1.00 37.61 ATOM 83 CA HIS 7 -3.600 -6.778 -11.685 1.00 75.35 ATOM 84 HA HIS 7 -3.943 -6.019 -10.994 1.00 75.53 ATOM 85 CB HIS 7 -2.333 -6.254 -12.386 1.00 23.44 ATOM 86 HB1 HIS 7 -1.662 -5.854 -11.639 1.00 37.61 ATOM 87 HB2 HIS 7 -2.609 -5.461 -13.067 1.00 74.31 ATOM 88 CG HIS 7 -1.580 -7.289 -13.172 1.00 40.45 ATOM 89 ND1 HIS 7 -0.456 -7.923 -12.691 1.00 4.12 ATOM 90 HD1 HIS 7 -0.049 -7.778 -11.810 1.00 71.41 ATOM 91 CD2 HIS 7 -1.777 -7.784 -14.419 1.00 4.21 ATOM 92 HD2 HIS 7 -2.570 -7.511 -15.099 1.00 34.54 ATOM 93 CE1 HIS 7 0.003 -8.757 -13.599 1.00 41.21 ATOM 94 HE1 HIS 7 0.874 -9.386 -13.495 1.00 42.21 ATOM 95 NE2 HIS 7 -0.779 -8.695 -14.656 1.00 12.41 ATOM 96 HE2 HIS 7 -0.767 -9.338 -15.396 1.00 37.61 ATOM 97 C HIS 7 -4.726 -7.039 -12.702 1.00 40.53 ATOM 98 O HIS 7 -4.563 -7.809 -13.651 1.00 52.53 ATOM 99 N THR 8 -5.875 -6.405 -12.485 1.00 44.45 ATOM 100 HN THR 8 -5.948 -5.811 -11.707 1.00 37.61 ATOM 101 CA THR 8 -7.039 -6.564 -13.367 1.00 51.20 ATOM 102 HA THR 8 -6.675 -6.738 -14.372 1.00 14.10 ATOM 103 CB THR 8 -7.914 -7.777 -12.950 1.00 14.24 ATOM 104 HB THR 8 -8.204 -7.650 -11.914 1.00 11.40 ATOM 105 OG1 THR 8 -7.162 -8.999 -13.075 1.00 22.00 ATOM 106 HG1 THR 8 -6.317 -8.813 -13.499 1.00 64.41 ATOM 107 CG2 THR 8 -9.181 -7.875 -13.801 1.00 3.14 ATOM 108 HG21 THR 8 -8.910 -8.009 -14.838 1.00 42.40 ATOM 109 HG22 THR 8 -9.760 -6.968 -13.696 1.00 33.11 ATOM 110 HG23 THR 8 -9.771 -8.718 -13.472 1.00 3.33 ATOM 111 C THR 8 -7.906 -5.296 -13.373 1.00 51.10 ATOM 112 O THR 8 -8.506 -4.936 -12.359 1.00 44.22 ATOM 113 N SER 9 -7.952 -4.614 -14.516 1.00 62.43 ATOM 114 HN SER 9 -7.425 -4.934 -15.277 1.00 37.61 ATOM 115 CA SER 9 -8.771 -3.402 -14.670 1.00 73.14 ATOM 116 HA SER 9 -8.875 -2.945 -13.695 1.00 71.23 ATOM 117 CB SER 9 -8.082 -2.403 -15.613 1.00 74.42 ATOM 118 HB1 SER 9 -7.961 -2.853 -16.588 1.00 37.61 ATOM 119 HB2 SER 9 -7.111 -2.146 -15.215 1.00 44.14 ATOM 120 OG SER 9 -8.844 -1.210 -15.751 1.00 12.41 ATOM 121 HG SER 9 -8.775 -0.691 -14.935 1.00 12.44 ATOM 122 C SER 9 -10.170 -3.747 -15.197 1.00 73.22 ATOM 123 O SER 9 -10.447 -4.899 -15.533 1.00 22.32 ATOM 124 N PHE 10 -11.055 -2.754 -15.269 1.00 70.35 ATOM 125 HN PHE 10 -10.765 -1.843 -15.053 1.00 37.61 ATOM 126 CA PHE 10 -12.449 -2.988 -15.675 1.00 42.51 ATOM 127 HA PHE 10 -12.501 -3.978 -16.111 1.00 44.11 ATOM 128 CB PHE 10 -13.372 -2.947 -14.445 1.00 43.54 ATOM 129 HB1 PHE 10 -14.402 -3.015 -14.770 1.00 37.61 ATOM 130 HB2 PHE 10 -13.227 -2.011 -13.925 1.00 61.22 ATOM 131 CG PHE 10 -13.120 -4.067 -13.464 1.00 64.43 ATOM 132 CD1 PHE 10 -13.848 -5.244 -13.533 1.00 24.01 ATOM 133 HD1 PHE 10 -14.609 -5.354 -14.292 1.00 30.00 ATOM 134 CD2 PHE 10 -12.147 -3.944 -12.481 1.00 75.01 ATOM 135 HD2 PHE 10 -11.573 -3.031 -12.416 1.00 44.24 ATOM 136 CE1 PHE 10 -13.612 -6.275 -12.645 1.00 43.14 ATOM 137 HE1 PHE 10 -14.189 -7.186 -12.708 1.00 53.23 ATOM 138 CE2 PHE 10 -11.909 -4.971 -11.589 1.00 45.40 ATOM 139 HE2 PHE 10 -11.149 -4.861 -10.829 1.00 71.13 ATOM 140 CZ PHE 10 -12.641 -6.138 -11.672 1.00 2.33 ATOM 141 HZ PHE 10 -12.454 -6.944 -10.976 1.00 3.44 ATOM 142 C PHE 10 -12.923 -1.974 -16.731 1.00 43.31 ATOM 143 O PHE 10 -12.693 -0.767 -16.604 1.00 13.41 ATOM 144 N ILE 11 -13.588 -2.483 -17.770 1.00 32.23 ATOM 145 HN ILE 11 -13.734 -3.453 -17.805 1.00 37.61 ATOM 146 CA ILE 11 -14.118 -1.654 -18.860 1.00 45.41 ATOM 147 HA ILE 11 -13.798 -0.632 -18.702 1.00 64.43 ATOM 148 CB ILE 11 -13.582 -2.132 -20.238 1.00 2.30 ATOM 149 HB ILE 11 -13.979 -3.122 -20.426 1.00 14.12 ATOM 150 CG1 ILE 11 -12.047 -2.206 -20.227 1.00 72.33 ATOM 151 HG11 ILE 11 -11.733 -2.920 -19.478 1.00 37.61 ATOM 152 HG12 ILE 11 -11.644 -1.235 -19.978 1.00 52.42 ATOM 153 CG2 ILE 11 -14.069 -1.212 -21.359 1.00 3.21 ATOM 154 HG21 ILE 11 -15.149 -1.201 -21.373 1.00 1.22 ATOM 155 HG22 ILE 11 -13.703 -1.573 -22.309 1.00 10.45 ATOM 156 HG23 ILE 11 -13.700 -0.210 -21.189 1.00 55.43 ATOM 157 CD1 ILE 11 -11.446 -2.633 -21.553 1.00 50.03 ATOM 158 HD11 ILE 11 -11.700 -1.910 -22.315 1.00 12.05 ATOM 159 HD12 ILE 11 -11.836 -3.601 -21.831 1.00 14.31 ATOM 160 HD13 ILE 11 -10.373 -2.692 -21.457 1.00 14.41 ATOM 161 C ILE 11 -15.656 -1.706 -18.888 1.00 45.22 ATOM 162 O ILE 11 -16.253 -2.737 -18.587 1.00 11.55 ATOM 163 N LEU 12 -16.290 -0.594 -19.246 1.00 63.00 ATOM 164 HN LEU 12 -15.768 0.218 -19.409 1.00 37.61 ATOM 165 CA LEU 12 -17.751 -0.545 -19.399 1.00 2.20 ATOM 166 HA LEU 12 -18.169 -1.429 -18.938 1.00 14.13 ATOM 167 CB LEU 12 -18.318 0.695 -18.696 1.00 42.13 ATOM 168 HB1 LEU 12 -17.879 1.572 -19.152 1.00 37.61 ATOM 169 HB2 LEU 12 -18.015 0.663 -17.658 1.00 55.14 ATOM 170 CG LEU 12 -19.851 0.839 -18.752 1.00 41.12 ATOM 171 HG LEU 12 -20.177 0.718 -19.777 1.00 62.33 ATOM 172 CD1 LEU 12 -20.534 -0.246 -17.919 1.00 20.21 ATOM 173 HD11 LEU 12 -21.606 -0.116 -17.965 1.00 74.34 ATOM 174 HD12 LEU 12 -20.208 -0.174 -16.891 1.00 30.12 ATOM 175 HD13 LEU 12 -20.274 -1.219 -18.310 1.00 1.31 ATOM 176 CD2 LEU 12 -20.277 2.229 -18.289 1.00 23.43 ATOM 177 HD21 LEU 12 -21.353 2.315 -18.345 1.00 2.10 ATOM 178 HD22 LEU 12 -19.824 2.976 -18.925 1.00 0.34 ATOM 179 HD23 LEU 12 -19.957 2.385 -17.268 1.00 42.41 ATOM 180 C LEU 12 -18.152 -0.522 -20.883 1.00 23.34 ATOM 181 O LEU 12 -17.693 0.334 -21.645 1.00 75.14 ATOM 182 N LYS 13 -18.997 -1.466 -21.298 1.00 74.40 ATOM 183 HN LYS 13 -19.270 -2.171 -20.671 1.00 37.61 ATOM 184 CA LYS 13 -19.524 -1.479 -22.668 1.00 41.23 ATOM 185 HA LYS 13 -18.998 -0.715 -23.229 1.00 20.45 ATOM 186 CB LYS 13 -19.288 -2.837 -23.348 1.00 12.45 ATOM 187 HB1 LYS 13 -19.611 -2.768 -24.378 1.00 37.61 ATOM 188 HB2 LYS 13 -19.887 -3.585 -22.845 1.00 21.23 ATOM 189 CG LYS 13 -17.831 -3.305 -23.333 1.00 51.55 ATOM 190 HG1 LYS 13 -17.628 -3.780 -22.382 1.00 37.61 ATOM 191 HG2 LYS 13 -17.185 -2.444 -23.446 1.00 13.30 ATOM 192 CD LYS 13 -17.530 -4.299 -24.461 1.00 42.12 ATOM 193 HD1 LYS 13 -16.563 -4.749 -24.280 1.00 37.61 ATOM 194 HD2 LYS 13 -17.503 -3.763 -25.398 1.00 33.42 ATOM 195 CE LYS 13 -18.576 -5.405 -24.561 1.00 3.21 ATOM 196 HE1 LYS 13 -18.341 -6.026 -25.414 1.00 37.61 ATOM 197 HE2 LYS 13 -19.546 -4.953 -24.710 1.00 2.51 ATOM 198 NZ LYS 13 -18.630 -6.259 -23.344 1.00 24.11 ATOM 199 HZ1 LYS 13 -18.716 -5.668 -22.490 1.00 50.23 ATOM 200 HZ2 LYS 13 -17.762 -6.830 -23.261 1.00 42.44 ATOM 201 HZ3 LYS 13 -19.447 -6.898 -23.393 1.00 53.25 ATOM 202 C LYS 13 -21.026 -1.147 -22.688 1.00 14.24 ATOM 203 O LYS 13 -21.793 -1.629 -21.850 1.00 1.31 ATOM 204 N VAL 14 -21.441 -0.330 -23.655 1.00 72.14 ATOM 205 HN VAL 14 -20.788 0.003 -24.307 1.00 37.61 ATOM 206 CA VAL 14 -22.843 0.089 -23.773 1.00 63.21 ATOM 207 HA VAL 14 -23.401 -0.366 -22.962 1.00 73.41 ATOM 208 CB VAL 14 -22.974 1.627 -23.642 1.00 74.22 ATOM 209 HB VAL 14 -22.420 2.083 -24.453 1.00 42.13 ATOM 210 CG1 VAL 14 -24.434 2.070 -23.762 1.00 61.21 ATOM 211 HG11 VAL 14 -25.018 1.610 -22.977 1.00 1.44 ATOM 212 HG12 VAL 14 -24.826 1.771 -24.724 1.00 33.01 ATOM 213 HG13 VAL 14 -24.494 3.145 -23.669 1.00 74.14 ATOM 214 CG2 VAL 14 -22.365 2.106 -22.327 1.00 54.33 ATOM 215 HG21 VAL 14 -22.459 3.179 -22.255 1.00 12.15 ATOM 216 HG22 VAL 14 -21.318 1.833 -22.295 1.00 21.42 ATOM 217 HG23 VAL 14 -22.881 1.643 -21.500 1.00 15.43 ATOM 218 C VAL 14 -23.462 -0.354 -25.110 1.00 23.04 ATOM 219 O VAL 14 -22.991 0.026 -26.185 1.00 62.23 ATOM 220 N LEU 15 -24.522 -1.157 -25.031 1.00 54.14 ATOM 221 HN LEU 15 -24.823 -1.456 -24.146 1.00 37.61 ATOM 222 CA LEU 15 -25.258 -1.602 -26.220 1.00 32.04 ATOM 223 HA LEU 15 -24.570 -1.626 -27.056 1.00 62.34 ATOM 224 CB LEU 15 -25.817 -3.023 -25.982 1.00 52.25 ATOM 225 HB1 LEU 15 -26.751 -2.934 -25.441 1.00 37.61 ATOM 226 HB2 LEU 15 -25.116 -3.557 -25.355 1.00 2.44 ATOM 227 CG LEU 15 -26.074 -3.879 -27.241 1.00 0.43 ATOM 228 HG LEU 15 -25.156 -3.949 -27.810 1.00 43.14 ATOM 229 CD1 LEU 15 -26.483 -5.298 -26.850 1.00 41.11 ATOM 230 HD11 LEU 15 -27.392 -5.265 -26.265 1.00 23.33 ATOM 231 HD12 LEU 15 -25.697 -5.753 -26.264 1.00 53.14 ATOM 232 HD13 LEU 15 -26.651 -5.886 -27.741 1.00 71.21 ATOM 233 CD2 LEU 15 -27.137 -3.251 -28.139 1.00 14.42 ATOM 234 HD21 LEU 15 -26.802 -2.278 -28.470 1.00 44.32 ATOM 235 HD22 LEU 15 -28.060 -3.143 -27.587 1.00 44.20 ATOM 236 HD23 LEU 15 -27.304 -3.884 -28.998 1.00 4.30 ATOM 237 C LEU 15 -26.388 -0.598 -26.529 1.00 51.10 ATOM 238 O LEU 15 -27.410 -0.564 -25.840 1.00 61.45 ATOM 239 N TRP 16 -26.191 0.217 -27.565 1.00 14.53 ATOM 240 HN TRP 16 -25.423 0.058 -28.151 1.00 37.61 ATOM 241 CA TRP 16 -27.088 1.346 -27.861 1.00 52.23 ATOM 242 HA TRP 16 -27.573 1.637 -26.940 1.00 24.30 ATOM 243 CB TRP 16 -26.252 2.530 -28.375 1.00 20.12 ATOM 244 HB1 TRP 16 -25.877 2.294 -29.360 1.00 37.61 ATOM 245 HB2 TRP 16 -25.415 2.684 -27.709 1.00 1.44 ATOM 246 CG TRP 16 -27.005 3.826 -28.467 1.00 72.31 ATOM 247 CD1 TRP 16 -27.840 4.230 -29.472 1.00 72.44 ATOM 248 HD1 TRP 16 -28.073 3.639 -30.346 1.00 33.13 ATOM 249 CD2 TRP 16 -26.974 4.895 -27.517 1.00 54.21 ATOM 250 NE1 TRP 16 -28.330 5.483 -29.199 1.00 22.52 ATOM 251 HE1 TRP 16 -28.950 5.987 -29.764 1.00 1.42 ATOM 252 CE2 TRP 16 -27.813 5.913 -28.004 1.00 31.32 ATOM 253 CE3 TRP 16 -26.315 5.089 -26.298 1.00 20.40 ATOM 254 HE3 TRP 16 -25.661 4.332 -25.890 1.00 1.25 ATOM 255 CZ2 TRP 16 -28.013 7.105 -27.315 1.00 73.53 ATOM 256 HZ2 TRP 16 -28.661 7.883 -27.694 1.00 71.44 ATOM 257 CZ3 TRP 16 -26.514 6.273 -25.615 1.00 21.02 ATOM 258 HZ3 TRP 16 -26.012 6.441 -24.671 1.00 62.33 ATOM 259 CH2 TRP 16 -27.355 7.268 -26.125 1.00 42.12 ATOM 260 HH2 TRP 16 -27.480 8.178 -25.557 1.00 62.43 ATOM 261 C TRP 16 -28.168 0.977 -28.900 1.00 41.00 ATOM 262 O TRP 16 -27.858 0.686 -30.057 1.00 41.33 ATOM 263 N LEU 17 -29.437 1.005 -28.484 1.00 23.25 ATOM 264 HN LEU 17 -29.625 1.209 -27.541 1.00 37.61 ATOM 265 CA LEU 17 -30.567 0.741 -29.389 1.00 45.22 ATOM 266 HA LEU 17 -30.171 0.571 -30.382 1.00 32.34 ATOM 267 CB LEU 17 -31.325 -0.515 -28.932 1.00 10.14 ATOM 268 HB1 LEU 17 -32.163 -0.668 -29.599 1.00 37.61 ATOM 269 HB2 LEU 17 -31.710 -0.333 -27.937 1.00 22.22 ATOM 270 CG LEU 17 -30.493 -1.806 -28.899 1.00 12.13 ATOM 271 HG LEU 17 -29.615 -1.641 -28.289 1.00 1.43 ATOM 272 CD1 LEU 17 -31.288 -2.943 -28.267 1.00 64.15 ATOM 273 HD11 LEU 17 -32.187 -3.120 -28.841 1.00 44.11 ATOM 274 HD12 LEU 17 -31.555 -2.676 -27.254 1.00 1.33 ATOM 275 HD13 LEU 17 -30.686 -3.841 -28.253 1.00 62.13 ATOM 276 CD2 LEU 17 -30.027 -2.186 -30.305 1.00 41.44 ATOM 277 HD21 LEU 17 -30.886 -2.385 -30.931 1.00 50.35 ATOM 278 HD22 LEU 17 -29.408 -3.070 -30.254 1.00 23.41 ATOM 279 HD23 LEU 17 -29.456 -1.372 -30.728 1.00 72.55 ATOM 280 C LEU 17 -31.523 1.948 -29.442 1.00 55.51 ATOM 281 O LEU 17 -31.337 2.932 -28.725 1.00 61.23 ATOM 282 N ASP 18 -32.543 1.876 -30.299 1.00 54.34 ATOM 283 HN ASP 18 -32.634 1.084 -30.869 1.00 37.61 ATOM 284 CA ASP 18 -33.518 2.967 -30.425 1.00 42.13 ATOM 285 HA ASP 18 -32.974 3.900 -30.388 1.00 31.11 ATOM 286 CB ASP 18 -34.243 2.871 -31.773 1.00 72.31 ATOM 287 HB1 ASP 18 -34.857 1.979 -31.785 1.00 37.61 ATOM 288 HB2 ASP 18 -33.510 2.805 -32.564 1.00 44.42 ATOM 289 CG ASP 18 -35.133 4.075 -32.036 1.00 42.14 ATOM 290 OD1 ASP 18 -36.332 4.029 -31.688 1.00 21.52 ATOM 291 OD2 ASP 18 -34.630 5.080 -32.586 1.00 2.05 ATOM 292 C ASP 18 -34.538 2.950 -29.272 1.00 24.30 ATOM 293 O ASP 18 -34.819 3.984 -28.660 1.00 32.51 ATOM 294 N GLN 19 -35.101 1.777 -28.986 1.00 2.14 ATOM 295 HN GLN 19 -34.846 0.986 -29.507 1.00 37.61 ATOM 296 CA GLN 19 -36.106 1.641 -27.921 1.00 61.24 ATOM 297 HA GLN 19 -36.614 2.591 -27.824 1.00 53.43 ATOM 298 CB GLN 19 -37.145 0.562 -28.279 1.00 54.42 ATOM 299 HB1 GLN 19 -37.881 0.517 -27.486 1.00 37.61 ATOM 300 HB2 GLN 19 -36.646 -0.395 -28.339 1.00 20.04 ATOM 301 CG GLN 19 -37.883 0.797 -29.598 1.00 21.00 ATOM 302 HG1 GLN 19 -38.232 1.820 -29.621 1.00 37.61 ATOM 303 HG2 GLN 19 -38.732 0.130 -29.642 1.00 14.33 ATOM 304 CD GLN 19 -37.015 0.550 -30.824 1.00 15.23 ATOM 305 OE1 GLN 19 -36.103 -0.271 -30.803 1.00 33.05 ATOM 306 NE2 GLN 19 -37.285 1.258 -31.899 1.00 65.21 ATOM 307 HE21 GLN 19 -38.021 1.903 -31.856 1.00 42.11 ATOM 308 HE22 GLN 19 -36.738 1.112 -32.694 1.00 44.12 ATOM 309 C GLN 19 -35.463 1.288 -26.570 1.00 1.22 ATOM 310 O GLN 19 -36.012 1.594 -25.510 1.00 22.04 ATOM 311 N ASN 20 -34.305 0.631 -26.614 1.00 12.43 ATOM 312 HN ASN 20 -33.875 0.486 -27.482 1.00 37.61 ATOM 313 CA ASN 20 -33.647 0.130 -25.399 1.00 15.12 ATOM 314 HA ASN 20 -34.140 0.564 -24.542 1.00 22.51 ATOM 315 CB ASN 20 -33.777 -1.400 -25.328 1.00 31.34 ATOM 316 HB1 ASN 20 -33.371 -1.745 -24.386 1.00 37.61 ATOM 317 HB2 ASN 20 -33.213 -1.843 -26.137 1.00 24.33 ATOM 318 CG ASN 20 -35.213 -1.877 -25.431 1.00 25.43 ATOM 319 OD1 ASN 20 -35.907 -2.016 -24.433 1.00 71.12 ATOM 320 ND2 ASN 20 -35.672 -2.132 -26.638 1.00 64.15 ATOM 321 HD21 ASN 20 -35.072 -2.000 -27.399 1.00 61.45 ATOM 322 HD22 ASN 20 -36.599 -2.445 -26.724 1.00 11.34 ATOM 323 C ASN 20 -32.157 0.506 -25.351 1.00 43.31 ATOM 324 O ASN 20 -31.590 1.003 -26.323 1.00 3.43 ATOM 325 N VAL 21 -31.534 0.267 -24.204 1.00 31.10 ATOM 326 HN VAL 21 -32.064 0.005 -23.423 1.00 37.61 ATOM 327 CA VAL 21 -30.084 0.405 -24.060 1.00 2.44 ATOM 328 HA VAL 21 -29.631 0.110 -24.998 1.00 1.21 ATOM 329 CB VAL 21 -29.669 1.870 -23.762 1.00 43.24 ATOM 330 HB VAL 21 -30.068 2.496 -24.550 1.00 74.32 ATOM 331 CG1 VAL 21 -30.261 2.352 -22.442 1.00 21.14 ATOM 332 HG11 VAL 21 -29.900 1.731 -21.634 1.00 40.51 ATOM 333 HG12 VAL 21 -31.339 2.294 -22.487 1.00 1.41 ATOM 334 HG13 VAL 21 -29.966 3.377 -22.265 1.00 64.14 ATOM 335 CG2 VAL 21 -28.148 2.017 -23.768 1.00 14.32 ATOM 336 HG21 VAL 21 -27.759 1.716 -24.730 1.00 73.41 ATOM 337 HG22 VAL 21 -27.720 1.393 -22.997 1.00 54.15 ATOM 338 HG23 VAL 21 -27.883 3.049 -23.582 1.00 42.43 ATOM 339 C VAL 21 -29.567 -0.528 -22.953 1.00 73.15 ATOM 340 O VAL 21 -30.210 -0.690 -21.912 1.00 64.42 ATOM 341 N ALA 22 -28.418 -1.154 -23.187 1.00 42.23 ATOM 342 HN ALA 22 -27.922 -0.945 -24.007 1.00 37.61 ATOM 343 CA ALA 22 -27.868 -2.140 -22.249 1.00 42.31 ATOM 344 HA ALA 22 -28.532 -2.196 -21.396 1.00 10.44 ATOM 345 CB ALA 22 -27.829 -3.515 -22.902 1.00 13.14 ATOM 346 HB1 ALA 22 -28.822 -3.788 -23.229 1.00 63.44 ATOM 347 HB2 ALA 22 -27.472 -4.244 -22.190 1.00 71.01 ATOM 348 HB3 ALA 22 -27.165 -3.491 -23.755 1.00 11.20 ATOM 349 C ALA 22 -26.469 -1.753 -21.756 1.00 51.13 ATOM 350 O ALA 22 -25.677 -1.170 -22.496 1.00 73.22 ATOM 351 N ILE 23 -26.173 -2.093 -20.504 1.00 0.42 ATOM 352 HN ILE 23 -26.863 -2.531 -19.959 1.00 37.61 ATOM 353 CA ILE 23 -24.856 -1.832 -19.908 1.00 11.45 ATOM 354 HA ILE 23 -24.206 -1.452 -20.687 1.00 12.33 ATOM 355 CB ILE 23 -24.950 -0.758 -18.789 1.00 32.31 ATOM 356 HB ILE 23 -23.990 -0.706 -18.289 1.00 73.41 ATOM 357 CG1 ILE 23 -26.028 -1.144 -17.758 1.00 55.15 ATOM 358 HG11 ILE 23 -25.760 -2.090 -17.305 1.00 37.61 ATOM 359 HG12 ILE 23 -26.978 -1.251 -18.263 1.00 72.01 ATOM 360 CG2 ILE 23 -25.239 0.619 -19.390 1.00 52.21 ATOM 361 HG21 ILE 23 -24.456 0.881 -20.086 1.00 5.11 ATOM 362 HG22 ILE 23 -25.278 1.356 -18.601 1.00 24.53 ATOM 363 HG23 ILE 23 -26.187 0.595 -19.907 1.00 10.14 ATOM 364 CD1 ILE 23 -26.212 -0.131 -16.645 1.00 0.21 ATOM 365 HD11 ILE 23 -26.521 0.816 -17.066 1.00 32.44 ATOM 366 HD12 ILE 23 -25.280 -0.003 -16.115 1.00 1.41 ATOM 367 HD13 ILE 23 -26.970 -0.483 -15.961 1.00 71.13 ATOM 368 C ILE 23 -24.236 -3.120 -19.338 1.00 52.34 ATOM 369 O ILE 23 -24.940 -3.958 -18.768 1.00 55.02 ATOM 370 N ALA 24 -22.922 -3.277 -19.516 1.00 51.31 ATOM 371 HN ALA 24 -22.426 -2.592 -20.015 1.00 37.61 ATOM 372 CA ALA 24 -22.195 -4.448 -19.001 1.00 33.32 ATOM 373 HA ALA 24 -22.651 -4.740 -18.065 1.00 42.32 ATOM 374 CB ALA 24 -22.324 -5.616 -19.974 1.00 53.43 ATOM 375 HB1 ALA 24 -21.861 -5.354 -20.915 1.00 31.01 ATOM 376 HB2 ALA 24 -23.370 -5.835 -20.138 1.00 70.25 ATOM 377 HB3 ALA 24 -21.835 -6.488 -19.564 1.00 60.25 ATOM 378 C ALA 24 -20.713 -4.130 -18.749 1.00 32.51 ATOM 379 O ALA 24 -20.137 -3.256 -19.399 1.00 55.30 ATOM 380 N VAL 25 -20.102 -4.850 -17.807 1.00 53.32 ATOM 381 HN VAL 25 -20.607 -5.549 -17.342 1.00 37.61 ATOM 382 CA VAL 25 -18.693 -4.636 -17.448 1.00 55.34 ATOM 383 HA VAL 25 -18.348 -3.746 -17.959 1.00 12.13 ATOM 384 CB VAL 25 -18.528 -4.410 -15.920 1.00 20.23 ATOM 385 HB VAL 25 -18.855 -5.305 -15.407 1.00 65.55 ATOM 386 CG1 VAL 25 -17.061 -4.164 -15.558 1.00 65.42 ATOM 387 HG11 VAL 25 -16.466 -5.016 -15.857 1.00 71.14 ATOM 388 HG12 VAL 25 -16.970 -4.020 -14.491 1.00 32.43 ATOM 389 HG13 VAL 25 -16.706 -3.282 -16.071 1.00 14.24 ATOM 390 CG2 VAL 25 -19.402 -3.248 -15.450 1.00 44.33 ATOM 391 HG21 VAL 25 -19.109 -2.344 -15.965 1.00 3.34 ATOM 392 HG22 VAL 25 -19.279 -3.110 -14.385 1.00 34.25 ATOM 393 HG23 VAL 25 -20.439 -3.464 -15.666 1.00 73.13 ATOM 394 C VAL 25 -17.813 -5.823 -17.878 1.00 52.32 ATOM 395 O VAL 25 -18.203 -6.985 -17.731 1.00 31.44 ATOM 396 N ASP 26 -16.627 -5.520 -18.407 1.00 12.23 ATOM 397 HN ASP 26 -16.404 -4.578 -18.542 1.00 37.61 ATOM 398 CA ASP 26 -15.651 -6.540 -18.814 1.00 25.13 ATOM 399 HA ASP 26 -16.089 -7.515 -18.641 1.00 0.05 ATOM 400 CB ASP 26 -15.333 -6.394 -20.308 1.00 30.03 ATOM 401 HB1 ASP 26 -14.607 -7.146 -20.592 1.00 37.61 ATOM 402 HB2 ASP 26 -14.915 -5.414 -20.488 1.00 71.32 ATOM 403 CG ASP 26 -16.566 -6.557 -21.183 1.00 42.45 ATOM 404 OD1 ASP 26 -16.659 -7.562 -21.922 1.00 71.30 ATOM 405 OD2 ASP 26 -17.452 -5.680 -21.139 1.00 1.32 ATOM 406 C ASP 26 -14.357 -6.423 -17.987 1.00 32.21 ATOM 407 O ASP 26 -13.895 -5.320 -17.685 1.00 31.25 ATOM 408 N GLN 27 -13.772 -7.563 -17.631 1.00 35.51 ATOM 409 HN GLN 27 -14.171 -8.408 -17.924 1.00 37.61 ATOM 410 CA GLN 27 -12.554 -7.594 -16.811 1.00 30.23 ATOM 411 HA GLN 27 -12.486 -6.652 -16.283 1.00 5.12 ATOM 412 CB GLN 27 -12.656 -8.731 -15.776 1.00 12.13 ATOM 413 HB1 GLN 27 -13.519 -8.554 -15.149 1.00 37.61 ATOM 414 HB2 GLN 27 -11.768 -8.723 -15.158 1.00 60.43 ATOM 415 CG GLN 27 -12.794 -10.119 -16.397 1.00 3.22 ATOM 416 HG1 GLN 27 -11.889 -10.346 -16.943 1.00 37.61 ATOM 417 HG2 GLN 27 -13.629 -10.108 -17.082 1.00 54.40 ATOM 418 CD GLN 27 -13.030 -11.213 -15.368 1.00 12.05 ATOM 419 OE1 GLN 27 -14.164 -11.546 -15.043 1.00 40.43 ATOM 420 NE2 GLN 27 -11.963 -11.779 -14.840 1.00 51.43 ATOM 421 HE21 GLN 27 -11.083 -11.470 -15.131 1.00 55.33 ATOM 422 HE22 GLN 27 -12.101 -12.485 -14.178 1.00 71.30 ATOM 423 C GLN 27 -11.285 -7.768 -17.674 1.00 31.24 ATOM 424 O GLN 27 -11.216 -8.647 -18.537 1.00 62.33 ATOM 425 N ILE 28 -10.285 -6.917 -17.443 1.00 64.12 ATOM 426 HN ILE 28 -10.417 -6.195 -16.796 1.00 37.61 ATOM 427 CA ILE 28 -8.998 -7.027 -18.139 1.00 34.15 ATOM 428 HA ILE 28 -9.184 -7.436 -19.125 1.00 24.12 ATOM 429 CB ILE 28 -8.316 -5.644 -18.312 1.00 22.13 ATOM 430 HB ILE 28 -8.094 -5.254 -17.326 1.00 74.22 ATOM 431 CG1 ILE 28 -9.253 -4.665 -19.040 1.00 53.21 ATOM 432 HG11 ILE 28 -10.150 -4.527 -18.451 1.00 37.61 ATOM 433 HG12 ILE 28 -9.522 -5.078 -20.002 1.00 61.43 ATOM 434 CG2 ILE 28 -6.994 -5.787 -19.072 1.00 72.45 ATOM 435 HG21 ILE 28 -6.338 -6.459 -18.536 1.00 23.12 ATOM 436 HG22 ILE 28 -6.519 -4.820 -19.160 1.00 51.04 ATOM 437 HG23 ILE 28 -7.186 -6.184 -20.059 1.00 24.24 ATOM 438 CD1 ILE 28 -8.641 -3.299 -19.282 1.00 54.11 ATOM 439 HD11 ILE 28 -7.736 -3.407 -19.861 1.00 31.11 ATOM 440 HD12 ILE 28 -8.411 -2.833 -18.336 1.00 13.31 ATOM 441 HD13 ILE 28 -9.342 -2.683 -19.825 1.00 65.15 ATOM 442 C ILE 28 -8.043 -7.969 -17.386 1.00 64.04 ATOM 443 O ILE 28 -7.340 -7.559 -16.459 1.00 54.34 ATOM 444 N VAL 29 -8.038 -9.233 -17.782 1.00 53.44 ATOM 445 HN VAL 29 -8.619 -9.497 -18.527 1.00 37.61 ATOM 446 CA VAL 29 -7.190 -10.250 -17.151 1.00 13.43 ATOM 447 HA VAL 29 -7.106 -10.021 -16.096 1.00 30.33 ATOM 448 CB VAL 29 -7.826 -11.661 -17.307 1.00 13.04 ATOM 449 HB VAL 29 -7.676 -11.984 -18.329 1.00 62.20 ATOM 450 CG1 VAL 29 -7.153 -12.685 -16.394 1.00 61.22 ATOM 451 HG11 VAL 29 -7.232 -12.361 -15.366 1.00 23.31 ATOM 452 HG12 VAL 29 -6.110 -12.778 -16.662 1.00 35.11 ATOM 453 HG13 VAL 29 -7.640 -13.643 -16.507 1.00 10.42 ATOM 454 CG2 VAL 29 -9.331 -11.607 -17.053 1.00 2.42 ATOM 455 HG21 VAL 29 -9.752 -12.596 -17.161 1.00 51.52 ATOM 456 HG22 VAL 29 -9.793 -10.941 -17.769 1.00 74.54 ATOM 457 HG23 VAL 29 -9.517 -11.244 -16.051 1.00 75.45 ATOM 458 C VAL 29 -5.789 -10.256 -17.788 1.00 54.10 ATOM 459 O VAL 29 -5.607 -9.760 -18.900 1.00 63.15 ATOM 460 N GLY 30 -4.801 -10.821 -17.093 1.00 22.41 ATOM 461 HN GLY 30 -4.968 -11.128 -16.174 1.00 37.61 ATOM 462 CA GLY 30 -3.471 -10.977 -17.685 1.00 61.45 ATOM 463 HA1 GLY 30 -2.811 -11.411 -16.948 1.00 37.61 ATOM 464 HA2 GLY 30 -3.093 -10.003 -17.960 1.00 53.52 ATOM 465 C GLY 30 -3.486 -11.871 -18.925 1.00 33.11 ATOM 466 O GLY 30 -2.571 -11.831 -19.752 1.00 72.22 ATOM 467 N LYS 31 -4.537 -12.680 -19.040 1.00 51.30 ATOM 468 HN LYS 31 -5.187 -12.702 -18.309 1.00 37.61 ATOM 469 CA LYS 31 -4.757 -13.548 -20.203 1.00 12.21 ATOM 470 HA LYS 31 -3.797 -13.903 -20.551 1.00 31.02 ATOM 471 CB LYS 31 -5.617 -14.747 -19.782 1.00 34.20 ATOM 472 HB1 LYS 31 -5.766 -15.388 -20.641 1.00 37.61 ATOM 473 HB2 LYS 31 -6.580 -14.382 -19.449 1.00 4.11 ATOM 474 CG LYS 31 -5.010 -15.587 -18.657 1.00 75.35 ATOM 475 HG1 LYS 31 -4.704 -14.930 -17.854 1.00 37.61 ATOM 476 HG2 LYS 31 -4.147 -16.112 -19.039 1.00 32.24 ATOM 477 CD LYS 31 -6.006 -16.608 -18.107 1.00 75.35 ATOM 478 HD1 LYS 31 -6.844 -16.079 -17.672 1.00 37.61 ATOM 479 HD2 LYS 31 -5.517 -17.196 -17.343 1.00 54.31 ATOM 480 CE LYS 31 -6.523 -17.547 -19.190 1.00 42.52 ATOM 481 HE1 LYS 31 -5.696 -18.132 -19.570 1.00 37.61 ATOM 482 HE2 LYS 31 -6.945 -16.959 -19.993 1.00 61.23 ATOM 483 NZ LYS 31 -7.569 -18.467 -18.673 1.00 14.10 ATOM 484 HZ1 LYS 31 -8.353 -17.922 -18.263 1.00 52.23 ATOM 485 HZ2 LYS 31 -7.173 -19.086 -17.939 1.00 31.42 ATOM 486 HZ3 LYS 31 -7.940 -19.058 -19.445 1.00 60.15 ATOM 487 C LYS 31 -5.463 -12.793 -21.346 1.00 50.41 ATOM 488 O LYS 31 -5.402 -13.200 -22.509 1.00 10.21 ATOM 489 N GLY 32 -6.142 -11.702 -20.999 1.00 21.55 ATOM 490 HN GLY 32 -6.109 -11.396 -20.073 1.00 37.61 ATOM 491 CA GLY 32 -6.931 -10.947 -21.961 1.00 42.11 ATOM 492 HA1 GLY 32 -7.200 -11.590 -22.788 1.00 37.61 ATOM 493 HA2 GLY 32 -6.337 -10.124 -22.333 1.00 55.44 ATOM 494 C GLY 32 -8.207 -10.398 -21.333 1.00 51.54 ATOM 495 O GLY 32 -8.422 -10.534 -20.130 1.00 12.13 ATOM 496 N THR 33 -9.056 -9.783 -22.139 1.00 60.24 ATOM 497 HN THR 33 -8.830 -9.701 -23.083 1.00 37.61 ATOM 498 CA THR 33 -10.327 -9.228 -21.650 1.00 53.45 ATOM 499 HA THR 33 -10.178 -8.903 -20.626 1.00 2.44 ATOM 500 CB THR 33 -10.780 -8.001 -22.483 1.00 41.12 ATOM 501 HB THR 33 -11.738 -7.665 -22.108 1.00 22.54 ATOM 502 OG1 THR 33 -10.924 -8.367 -23.864 1.00 55.14 ATOM 503 HG1 THR 33 -10.098 -8.185 -24.331 1.00 60.15 ATOM 504 CG2 THR 33 -9.783 -6.851 -22.362 1.00 1.00 ATOM 505 HG21 THR 33 -8.820 -7.165 -22.737 1.00 41.40 ATOM 506 HG22 THR 33 -9.689 -6.559 -21.326 1.00 52.41 ATOM 507 HG23 THR 33 -10.135 -6.008 -22.941 1.00 35.30 ATOM 508 C THR 33 -11.439 -10.286 -21.671 1.00 63.03 ATOM 509 O THR 33 -11.516 -11.107 -22.590 1.00 43.33 ATOM 510 N SER 34 -12.297 -10.267 -20.654 1.00 11.34 ATOM 511 HN SER 34 -12.198 -9.578 -19.962 1.00 37.61 ATOM 512 CA SER 34 -13.384 -11.252 -20.535 1.00 15.13 ATOM 513 HA SER 34 -13.604 -11.628 -21.523 1.00 43.41 ATOM 514 CB SER 34 -12.937 -12.423 -19.645 1.00 72.32 ATOM 515 HB1 SER 34 -12.826 -12.076 -18.628 1.00 37.61 ATOM 516 HB2 SER 34 -11.987 -12.800 -19.998 1.00 63.03 ATOM 517 OG SER 34 -13.884 -13.479 -19.664 1.00 71.31 ATOM 518 HG SER 34 -13.505 -14.237 -20.127 1.00 23.45 ATOM 519 C SER 34 -14.656 -10.612 -19.951 1.00 41.41 ATOM 520 O SER 34 -14.579 -9.835 -19.000 1.00 10.13 ATOM 521 N PRO 35 -15.846 -10.927 -20.508 1.00 0.43 ATOM 522 CA PRO 35 -17.125 -10.363 -20.024 1.00 51.33 ATOM 523 HA PRO 35 -17.142 -9.286 -20.133 1.00 64.41 ATOM 524 CB PRO 35 -18.176 -10.990 -20.962 1.00 4.13 ATOM 525 HB1 PRO 35 -18.916 -10.247 -21.227 1.00 37.61 ATOM 526 HB2 PRO 35 -18.660 -11.823 -20.467 1.00 21.11 ATOM 527 CG PRO 35 -17.406 -11.441 -22.159 1.00 1.22 ATOM 528 HG1 PRO 35 -17.318 -10.630 -22.868 1.00 37.61 ATOM 529 HG2 PRO 35 -17.898 -12.288 -22.619 1.00 52.42 ATOM 530 CD PRO 35 -16.048 -11.838 -21.647 1.00 0.31 ATOM 531 HD1 PRO 35 -15.296 -11.680 -22.407 1.00 37.61 ATOM 532 HD2 PRO 35 -16.050 -12.869 -21.322 1.00 62.35 ATOM 533 C PRO 35 -17.419 -10.728 -18.557 1.00 31.20 ATOM 534 O PRO 35 -17.534 -11.907 -18.210 1.00 63.14 ATOM 535 N LEU 36 -17.544 -9.713 -17.702 1.00 44.44 ATOM 536 HN LEU 36 -17.475 -8.793 -18.041 1.00 37.61 ATOM 537 CA LEU 36 -17.784 -9.925 -16.269 1.00 32.41 ATOM 538 HA LEU 36 -17.290 -10.844 -15.983 1.00 50.52 ATOM 539 CB LEU 36 -17.182 -8.767 -15.459 1.00 52.11 ATOM 540 HB1 LEU 36 -17.660 -7.851 -15.775 1.00 37.61 ATOM 541 HB2 LEU 36 -16.128 -8.701 -15.698 1.00 53.34 ATOM 542 CG LEU 36 -17.325 -8.885 -13.933 1.00 55.34 ATOM 543 HG LEU 36 -18.368 -9.043 -13.689 1.00 34.15 ATOM 544 CD1 LEU 36 -16.541 -10.088 -13.415 1.00 51.23 ATOM 545 HD11 LEU 36 -15.495 -9.974 -13.664 1.00 44.23 ATOM 546 HD12 LEU 36 -16.922 -10.989 -13.873 1.00 71.13 ATOM 547 HD13 LEU 36 -16.651 -10.156 -12.343 1.00 13.11 ATOM 548 CD2 LEU 36 -16.871 -7.598 -13.244 1.00 41.43 ATOM 549 HD21 LEU 36 -17.487 -6.775 -13.576 1.00 20.31 ATOM 550 HD22 LEU 36 -15.838 -7.397 -13.492 1.00 13.34 ATOM 551 HD23 LEU 36 -16.968 -7.707 -12.172 1.00 21.52 ATOM 552 C LEU 36 -19.286 -10.053 -15.960 1.00 4.00 ATOM 553 O LEU 36 -19.725 -11.017 -15.329 1.00 0.40 ATOM 554 N THR 37 -20.072 -9.073 -16.402 1.00 71.10 ATOM 555 HN THR 37 -19.674 -8.339 -16.923 1.00 37.61 ATOM 556 CA THR 37 -21.522 -9.061 -16.139 1.00 15.23 ATOM 557 HA THR 37 -21.756 -9.902 -15.500 1.00 42.32 ATOM 558 CB THR 37 -21.969 -7.763 -15.416 1.00 34.31 ATOM 559 HB THR 37 -23.025 -7.843 -15.182 1.00 60.42 ATOM 560 OG1 THR 37 -21.768 -6.627 -16.269 1.00 75.22 ATOM 561 HG1 THR 37 -22.621 -6.321 -16.603 1.00 74.31 ATOM 562 CG2 THR 37 -21.200 -7.561 -14.112 1.00 52.25 ATOM 563 HG21 THR 37 -20.144 -7.474 -14.326 1.00 34.23 ATOM 564 HG22 THR 37 -21.366 -8.405 -13.458 1.00 51.30 ATOM 565 HG23 THR 37 -21.543 -6.658 -13.627 1.00 43.21 ATOM 566 C THR 37 -22.332 -9.191 -17.434 1.00 31.51 ATOM 567 O THR 37 -21.794 -9.066 -18.538 1.00 50.35 ATOM 568 N SER 38 -23.631 -9.454 -17.297 1.00 3.34 ATOM 569 HN SER 38 -23.996 -9.598 -16.397 1.00 37.61 ATOM 570 CA SER 38 -24.528 -9.542 -18.460 1.00 14.52 ATOM 571 HA SER 38 -23.972 -9.992 -19.272 1.00 64.35 ATOM 572 CB SER 38 -25.746 -10.424 -18.149 1.00 75.22 ATOM 573 HB1 SER 38 -26.347 -9.954 -17.384 1.00 37.61 ATOM 574 HB2 SER 38 -25.409 -11.389 -17.797 1.00 62.23 ATOM 575 OG SER 38 -26.548 -10.618 -19.309 1.00 34.31 ATOM 576 HG SER 38 -27.485 -10.548 -19.072 1.00 1.51 ATOM 577 C SER 38 -24.998 -8.152 -18.905 1.00 71.03 ATOM 578 O SER 38 -24.771 -7.156 -18.218 1.00 42.51 ATOM 579 N TYR 39 -25.658 -8.094 -20.059 1.00 30.53 ATOM 580 HN TYR 39 -25.829 -8.927 -20.549 1.00 37.61 ATOM 581 CA TYR 39 -26.151 -6.827 -20.613 1.00 1.04 ATOM 582 HA TYR 39 -25.482 -6.043 -20.286 1.00 75.42 ATOM 583 CB TYR 39 -26.137 -6.878 -22.149 1.00 53.40 ATOM 584 HB1 TYR 39 -26.586 -5.975 -22.538 1.00 37.61 ATOM 585 HB2 TYR 39 -26.716 -7.730 -22.481 1.00 34.44 ATOM 586 CG TYR 39 -24.743 -7.001 -22.741 1.00 63.43 ATOM 587 CD1 TYR 39 -24.099 -8.234 -22.806 1.00 54.44 ATOM 588 HD1 TYR 39 -24.606 -9.113 -22.436 1.00 54.00 ATOM 589 CD2 TYR 39 -24.068 -5.883 -23.227 1.00 31.12 ATOM 590 HD2 TYR 39 -24.553 -4.918 -23.188 1.00 0.33 ATOM 591 CE1 TYR 39 -22.827 -8.348 -23.335 1.00 53.21 ATOM 592 HE1 TYR 39 -22.343 -9.314 -23.375 1.00 34.12 ATOM 593 CE2 TYR 39 -22.798 -5.992 -23.760 1.00 1.04 ATOM 594 HE2 TYR 39 -22.291 -5.110 -24.133 1.00 22.43 ATOM 595 CZ TYR 39 -22.182 -7.225 -23.810 1.00 52.32 ATOM 596 OH TYR 39 -20.913 -7.338 -24.336 1.00 62.22 ATOM 597 HH TYR 39 -20.915 -8.009 -25.032 1.00 41.13 ATOM 598 C TYR 39 -27.563 -6.509 -20.102 1.00 2.24 ATOM 599 O TYR 39 -28.548 -7.102 -20.544 1.00 21.23 ATOM 600 N PHE 40 -27.653 -5.573 -19.161 1.00 45.14 ATOM 601 HN PHE 40 -26.833 -5.121 -18.860 1.00 37.61 ATOM 602 CA PHE 40 -28.936 -5.206 -18.552 1.00 54.24 ATOM 603 HA PHE 40 -29.568 -6.083 -18.558 1.00 70.30 ATOM 604 CB PHE 40 -28.710 -4.774 -17.097 1.00 51.25 ATOM 605 HB1 PHE 40 -29.667 -4.566 -16.636 1.00 37.61 ATOM 606 HB2 PHE 40 -28.110 -3.875 -17.085 1.00 4.23 ATOM 607 CG PHE 40 -28.007 -5.820 -16.263 1.00 33.33 ATOM 608 CD1 PHE 40 -28.687 -6.948 -15.822 1.00 12.33 ATOM 609 HD1 PHE 40 -29.729 -7.075 -16.079 1.00 52.22 ATOM 610 CD2 PHE 40 -26.669 -5.677 -15.922 1.00 40.20 ATOM 611 HD2 PHE 40 -26.126 -4.804 -16.259 1.00 51.03 ATOM 612 CE1 PHE 40 -28.045 -7.908 -15.060 1.00 72.52 ATOM 613 HE1 PHE 40 -28.585 -8.780 -14.725 1.00 4.15 ATOM 614 CE2 PHE 40 -26.025 -6.635 -15.161 1.00 53.33 ATOM 615 HE2 PHE 40 -24.982 -6.511 -14.903 1.00 10.14 ATOM 616 CZ PHE 40 -26.713 -7.750 -14.729 1.00 43.52 ATOM 617 HZ PHE 40 -26.210 -8.499 -14.133 1.00 3.12 ATOM 618 C PHE 40 -29.641 -4.086 -19.341 1.00 14.03 ATOM 619 O PHE 40 -29.128 -2.972 -19.447 1.00 11.30 ATOM 620 N PHE 41 -30.817 -4.395 -19.893 1.00 73.22 ATOM 621 HN PHE 41 -31.173 -5.299 -19.767 1.00 37.61 ATOM 622 CA PHE 41 -31.591 -3.431 -20.692 1.00 61.20 ATOM 623 HA PHE 41 -30.899 -2.722 -21.127 1.00 14.45 ATOM 624 CB PHE 41 -32.332 -4.159 -21.826 1.00 63.14 ATOM 625 HB1 PHE 41 -32.985 -3.456 -22.327 1.00 37.61 ATOM 626 HB2 PHE 41 -32.932 -4.950 -21.401 1.00 42.41 ATOM 627 CG PHE 41 -31.432 -4.777 -22.868 1.00 54.22 ATOM 628 CD1 PHE 41 -30.778 -5.978 -22.623 1.00 35.32 ATOM 629 HD1 PHE 41 -30.908 -6.469 -21.669 1.00 41.04 ATOM 630 CD2 PHE 41 -31.251 -4.163 -24.100 1.00 1.41 ATOM 631 HD2 PHE 41 -31.752 -3.228 -24.305 1.00 24.42 ATOM 632 CE1 PHE 41 -29.965 -6.550 -23.584 1.00 1.21 ATOM 633 HE1 PHE 41 -29.461 -7.485 -23.379 1.00 34.14 ATOM 634 CE2 PHE 41 -30.438 -4.731 -25.062 1.00 63.31 ATOM 635 HE2 PHE 41 -30.306 -4.242 -26.017 1.00 62.14 ATOM 636 CZ PHE 41 -29.795 -5.926 -24.804 1.00 52.32 ATOM 637 HZ PHE 41 -29.161 -6.373 -25.556 1.00 55.24 ATOM 638 C PHE 41 -32.618 -2.662 -19.838 1.00 55.11 ATOM 639 O PHE 41 -33.460 -3.264 -19.169 1.00 2.14 ATOM 640 N TRP 42 -32.553 -1.331 -19.875 1.00 15.41 ATOM 641 HN TRP 42 -31.804 -0.902 -20.346 1.00 37.61 ATOM 642 CA TRP 42 -33.571 -0.487 -19.232 1.00 23.31 ATOM 643 HA TRP 42 -34.308 -1.143 -18.785 1.00 63.52 ATOM 644 CB TRP 42 -32.931 0.381 -18.119 1.00 41.33 ATOM 645 HB1 TRP 42 -32.047 -0.121 -17.749 1.00 37.61 ATOM 646 HB2 TRP 42 -33.637 0.481 -17.306 1.00 25.32 ATOM 647 CG TRP 42 -32.531 1.766 -18.545 1.00 74.32 ATOM 648 CD1 TRP 42 -31.518 2.113 -19.390 1.00 21.34 ATOM 649 HD1 TRP 42 -30.865 1.406 -19.880 1.00 73.53 ATOM 650 CD2 TRP 42 -33.133 2.994 -18.118 1.00 54.43 ATOM 651 NE1 TRP 42 -31.473 3.478 -19.535 1.00 63.13 ATOM 652 HE1 TRP 42 -30.840 3.970 -20.100 1.00 43.45 ATOM 653 CE2 TRP 42 -32.450 4.041 -18.760 1.00 13.35 ATOM 654 CE3 TRP 42 -34.192 3.306 -17.259 1.00 1.44 ATOM 655 HE3 TRP 42 -34.741 2.528 -16.743 1.00 61.53 ATOM 656 CZ2 TRP 42 -32.790 5.379 -18.574 1.00 33.23 ATOM 657 HZ2 TRP 42 -32.260 6.178 -19.072 1.00 22.31 ATOM 658 CZ3 TRP 42 -34.528 4.633 -17.071 1.00 32.53 ATOM 659 HZ3 TRP 42 -35.341 4.894 -16.408 1.00 34.42 ATOM 660 CH2 TRP 42 -33.828 5.657 -17.727 1.00 24.22 ATOM 661 HH2 TRP 42 -34.122 6.680 -17.549 1.00 30.44 ATOM 662 C TRP 42 -34.280 0.380 -20.302 1.00 53.35 ATOM 663 O TRP 42 -33.733 0.583 -21.389 1.00 74.01 ATOM 664 N PRO 43 -35.510 0.890 -20.038 1.00 71.14 ATOM 665 CA PRO 43 -36.227 0.720 -18.762 1.00 55.02 ATOM 666 HA PRO 43 -35.553 0.783 -17.920 1.00 51.24 ATOM 667 CB PRO 43 -37.160 1.936 -18.758 1.00 11.34 ATOM 668 HB1 PRO 43 -36.641 2.794 -18.355 1.00 37.61 ATOM 669 HB2 PRO 43 -38.036 1.727 -18.159 1.00 24.15 ATOM 670 CG PRO 43 -37.509 2.138 -20.196 1.00 23.22 ATOM 671 HG1 PRO 43 -37.723 3.183 -20.377 1.00 37.61 ATOM 672 HG2 PRO 43 -38.366 1.532 -20.455 1.00 35.22 ATOM 673 CD PRO 43 -36.298 1.705 -20.995 1.00 23.14 ATOM 674 HD1 PRO 43 -35.734 2.569 -21.319 1.00 37.61 ATOM 675 HD2 PRO 43 -36.600 1.113 -21.847 1.00 4.25 ATOM 676 C PRO 43 -37.041 -0.586 -18.665 1.00 23.25 ATOM 677 O PRO 43 -38.009 -0.664 -17.907 1.00 33.40 ATOM 678 N ARG 44 -36.648 -1.611 -19.423 1.00 12.24 ATOM 679 HN ARG 44 -35.906 -1.487 -20.048 1.00 37.61 ATOM 680 CA ARG 44 -37.313 -2.918 -19.350 1.00 22.13 ATOM 681 HA ARG 44 -38.370 -2.758 -19.518 1.00 10.34 ATOM 682 CB ARG 44 -36.772 -3.853 -20.441 1.00 65.10 ATOM 683 HB1 ARG 44 -37.271 -4.809 -20.361 1.00 37.61 ATOM 684 HB2 ARG 44 -35.713 -3.997 -20.281 1.00 55.35 ATOM 685 CG ARG 44 -36.972 -3.327 -21.861 1.00 64.30 ATOM 686 HG1 ARG 44 -36.609 -4.066 -22.562 1.00 37.61 ATOM 687 HG2 ARG 44 -36.406 -2.413 -21.980 1.00 42.41 ATOM 688 CD ARG 44 -38.440 -3.040 -22.164 1.00 1.42 ATOM 689 HD1 ARG 44 -38.520 -2.683 -23.182 1.00 37.61 ATOM 690 HD2 ARG 44 -38.791 -2.272 -21.489 1.00 54.41 ATOM 691 NE ARG 44 -39.279 -4.228 -22.012 1.00 1.23 ATOM 692 HE ARG 44 -38.857 -5.099 -22.145 1.00 12.11 ATOM 693 CZ ARG 44 -40.553 -4.190 -21.721 1.00 15.33 ATOM 694 NH1 ARG 44 -41.156 -3.058 -21.548 1.00 34.14 ATOM 695 HH11 ARG 44 -40.650 -2.203 -21.641 1.00 33.24 ATOM 696 HH12 ARG 44 -42.128 -3.039 -21.322 1.00 32.53 ATOM 697 NH2 ARG 44 -41.225 -5.285 -21.602 1.00 63.42 ATOM 698 HH21 ARG 44 -40.779 -6.164 -21.735 1.00 62.53 ATOM 699 HH22 ARG 44 -42.196 -5.245 -21.375 1.00 4.32 ATOM 700 C ARG 44 -37.128 -3.556 -17.963 1.00 2.40 ATOM 701 O ARG 44 -38.023 -4.237 -17.453 1.00 12.44 ATOM 702 N ALA 45 -35.959 -3.334 -17.365 1.00 3.15 ATOM 703 HN ALA 45 -35.266 -2.837 -17.849 1.00 37.61 ATOM 704 CA ALA 45 -35.666 -3.812 -16.009 1.00 52.33 ATOM 705 HA ALA 45 -36.595 -3.839 -15.452 1.00 62.13 ATOM 706 CB ALA 45 -35.100 -5.229 -16.061 1.00 64.41 ATOM 707 HB1 ALA 45 -34.163 -5.224 -16.601 1.00 55.03 ATOM 708 HB2 ALA 45 -35.801 -5.878 -16.566 1.00 63.12 ATOM 709 HB3 ALA 45 -34.933 -5.592 -15.057 1.00 2.23 ATOM 710 C ALA 45 -34.689 -2.866 -15.294 1.00 2.21 ATOM 711 O ALA 45 -34.048 -2.026 -15.929 1.00 33.25 ATOM 712 N ASP 46 -34.583 -2.998 -13.974 1.00 53.25 ATOM 713 HN ASP 46 -35.160 -3.643 -13.511 1.00 37.61 ATOM 714 CA ASP 46 -33.649 -2.187 -13.187 1.00 43.23 ATOM 715 HA ASP 46 -33.846 -1.144 -13.410 1.00 21.45 ATOM 716 CB ASP 46 -33.876 -2.430 -11.690 1.00 1.34 ATOM 717 HB1 ASP 46 -33.199 -1.804 -11.124 1.00 37.61 ATOM 718 HB2 ASP 46 -33.668 -3.467 -11.465 1.00 1.00 ATOM 719 CG ASP 46 -35.300 -2.123 -11.258 1.00 34.14 ATOM 720 OD1 ASP 46 -35.517 -1.097 -10.580 1.00 53.33 ATOM 721 OD2 ASP 46 -36.212 -2.905 -11.603 1.00 2.40 ATOM 722 C ASP 46 -32.190 -2.507 -13.564 1.00 65.14 ATOM 723 O ASP 46 -31.526 -3.309 -12.905 1.00 4.40 ATOM 724 N ALA 47 -31.711 -1.893 -14.642 1.00 61.34 ATOM 725 HN ALA 47 -32.280 -1.237 -15.101 1.00 37.61 ATOM 726 CA ALA 47 -30.371 -2.169 -15.178 1.00 12.44 ATOM 727 HA ALA 47 -30.318 -3.228 -15.393 1.00 24.43 ATOM 728 CB ALA 47 -30.167 -1.419 -16.490 1.00 33.31 ATOM 729 HB1 ALA 47 -30.213 -0.355 -16.310 1.00 24.31 ATOM 730 HB2 ALA 47 -30.943 -1.699 -17.190 1.00 4.03 ATOM 731 HB3 ALA 47 -29.202 -1.671 -16.906 1.00 1.13 ATOM 732 C ALA 47 -29.254 -1.814 -14.185 1.00 22.43 ATOM 733 O ALA 47 -28.425 -2.658 -13.841 1.00 63.33 ATOM 734 N TRP 48 -29.244 -0.568 -13.721 1.00 34.20 ATOM 735 HN TRP 48 -29.964 0.045 -13.987 1.00 37.61 ATOM 736 CA TRP 48 -28.189 -0.084 -12.820 1.00 1.40 ATOM 737 HA TRP 48 -27.237 -0.280 -13.294 1.00 73.25 ATOM 738 CB TRP 48 -28.338 1.430 -12.613 1.00 35.41 ATOM 739 HB1 TRP 48 -29.153 1.616 -11.928 1.00 37.61 ATOM 740 HB2 TRP 48 -28.568 1.893 -13.563 1.00 70.12 ATOM 741 CG TRP 48 -27.104 2.090 -12.064 1.00 2.32 ATOM 742 CD1 TRP 48 -25.989 2.453 -12.768 1.00 31.04 ATOM 743 HD1 TRP 48 -25.859 2.295 -13.828 1.00 72.45 ATOM 744 CD2 TRP 48 -26.862 2.481 -10.706 1.00 33.35 ATOM 745 NE1 TRP 48 -25.072 3.037 -11.930 1.00 70.34 ATOM 746 HE1 TRP 48 -24.196 3.383 -12.198 1.00 75.32 ATOM 747 CE2 TRP 48 -25.584 3.067 -10.662 1.00 74.04 ATOM 748 CE3 TRP 48 -27.603 2.390 -9.524 1.00 51.44 ATOM 749 HE3 TRP 48 -28.587 1.944 -9.514 1.00 11.33 ATOM 750 CZ2 TRP 48 -25.032 3.561 -9.484 1.00 51.11 ATOM 751 HZ2 TRP 48 -24.050 4.009 -9.457 1.00 73.44 ATOM 752 CZ3 TRP 48 -27.053 2.880 -8.355 1.00 54.22 ATOM 753 HZ3 TRP 48 -27.609 2.817 -7.431 1.00 54.54 ATOM 754 CH2 TRP 48 -25.779 3.459 -8.343 1.00 74.44 ATOM 755 HH2 TRP 48 -25.387 3.826 -7.406 1.00 1.33 ATOM 756 C TRP 48 -28.227 -0.824 -11.469 1.00 11.35 ATOM 757 O TRP 48 -27.186 -1.162 -10.901 1.00 14.22 ATOM 758 N GLN 49 -29.437 -1.094 -10.977 1.00 54.14 ATOM 759 HN GLN 49 -30.225 -0.794 -11.477 1.00 37.61 ATOM 760 CA GLN 49 -29.629 -1.818 -9.712 1.00 43.02 ATOM 761 HA GLN 49 -29.085 -1.286 -8.944 1.00 32.21 ATOM 762 CB GLN 49 -31.122 -1.832 -9.341 1.00 0.53 ATOM 763 HB1 GLN 49 -31.675 -2.294 -10.147 1.00 37.61 ATOM 764 HB2 GLN 49 -31.462 -0.811 -9.230 1.00 2.20 ATOM 765 CG GLN 49 -31.446 -2.587 -8.050 1.00 23.31 ATOM 766 HG1 GLN 49 -31.142 -3.618 -8.170 1.00 37.61 ATOM 767 HG2 GLN 49 -32.514 -2.550 -7.888 1.00 31.23 ATOM 768 CD GLN 49 -30.759 -2.019 -6.814 1.00 23.14 ATOM 769 OE1 GLN 49 -30.443 -2.752 -5.878 1.00 22.22 ATOM 770 NE2 GLN 49 -30.538 -0.719 -6.785 1.00 71.10 ATOM 771 HE21 GLN 49 -30.826 -0.178 -7.550 1.00 41.20 ATOM 772 HE22 GLN 49 -30.095 -0.346 -5.995 1.00 2.15 ATOM 773 C GLN 49 -29.086 -3.258 -9.789 1.00 53.34 ATOM 774 O GLN 49 -28.491 -3.760 -8.833 1.00 41.33 ATOM 775 N GLN 50 -29.294 -3.921 -10.924 1.00 23.11 ATOM 776 HN GLN 50 -29.810 -3.491 -11.641 1.00 37.61 ATOM 777 CA GLN 50 -28.776 -5.280 -11.130 1.00 61.45 ATOM 778 HA GLN 50 -28.976 -5.847 -10.230 1.00 75.53 ATOM 779 CB GLN 50 -29.501 -5.951 -12.306 1.00 33.24 ATOM 780 HB1 GLN 50 -29.033 -6.904 -12.509 1.00 37.61 ATOM 781 HB2 GLN 50 -29.404 -5.320 -13.180 1.00 74.24 ATOM 782 CG GLN 50 -30.988 -6.190 -12.052 1.00 22.42 ATOM 783 HG1 GLN 50 -31.453 -5.248 -11.795 1.00 37.61 ATOM 784 HG2 GLN 50 -31.092 -6.875 -11.223 1.00 74.44 ATOM 785 CD GLN 50 -31.708 -6.778 -13.256 1.00 33.12 ATOM 786 OE1 GLN 50 -31.804 -7.988 -13.413 1.00 42.10 ATOM 787 NE2 GLN 50 -32.219 -5.923 -14.119 1.00 61.43 ATOM 788 HE21 GLN 50 -32.110 -4.968 -13.943 1.00 44.12 ATOM 789 HE22 GLN 50 -32.687 -6.284 -14.897 1.00 31.32 ATOM 790 C GLN 50 -27.255 -5.268 -11.373 1.00 44.35 ATOM 791 O GLN 50 -26.525 -6.103 -10.836 1.00 43.11 ATOM 792 N LEU 51 -26.783 -4.307 -12.172 1.00 33.34 ATOM 793 HN LEU 51 -27.413 -3.683 -12.590 1.00 37.61 ATOM 794 CA LEU 51 -25.345 -4.165 -12.446 1.00 41.54 ATOM 795 HA LEU 51 -25.012 -5.079 -12.920 1.00 24.25 ATOM 796 CB LEU 51 -25.090 -2.988 -13.404 1.00 11.25 ATOM 797 HB1 LEU 51 -25.490 -2.090 -12.952 1.00 37.61 ATOM 798 HB2 LEU 51 -25.631 -3.177 -14.321 1.00 12.41 ATOM 799 CG LEU 51 -23.610 -2.733 -13.757 1.00 71.43 ATOM 800 HG LEU 51 -23.057 -2.558 -12.843 1.00 61.45 ATOM 801 CD1 LEU 51 -22.995 -3.952 -14.441 1.00 62.03 ATOM 802 HD11 LEU 51 -21.976 -3.732 -14.729 1.00 23.13 ATOM 803 HD12 LEU 51 -23.571 -4.204 -15.321 1.00 14.12 ATOM 804 HD13 LEU 51 -23.000 -4.787 -13.757 1.00 12.13 ATOM 805 CD2 LEU 51 -23.467 -1.490 -14.632 1.00 44.14 ATOM 806 HD21 LEU 51 -23.849 -0.629 -14.103 1.00 52.21 ATOM 807 HD22 LEU 51 -24.023 -1.624 -15.550 1.00 0.54 ATOM 808 HD23 LEU 51 -22.424 -1.332 -14.866 1.00 43.33 ATOM 809 C LEU 51 -24.546 -3.964 -11.149 1.00 52.21 ATOM 810 O LEU 51 -23.564 -4.668 -10.897 1.00 11.03 ATOM 811 N LYS 52 -24.972 -3.002 -10.328 1.00 3.01 ATOM 812 HN LYS 52 -25.748 -2.458 -10.588 1.00 37.61 ATOM 813 CA LYS 52 -24.300 -2.733 -9.054 1.00 32.31 ATOM 814 HA LYS 52 -23.261 -2.520 -9.274 1.00 73.11 ATOM 815 CB LYS 52 -24.919 -1.509 -8.350 1.00 3.31 ATOM 816 HB1 LYS 52 -25.019 -0.710 -9.072 1.00 37.61 ATOM 817 HB2 LYS 52 -24.249 -1.185 -7.566 1.00 2.44 ATOM 818 CG LYS 52 -26.290 -1.763 -7.728 1.00 33.22 ATOM 819 HG1 LYS 52 -26.193 -2.529 -6.970 1.00 37.61 ATOM 820 HG2 LYS 52 -26.963 -2.107 -8.499 1.00 20.32 ATOM 821 CD LYS 52 -26.877 -0.507 -7.089 1.00 54.32 ATOM 822 HD1 LYS 52 -27.797 -0.770 -6.583 1.00 37.61 ATOM 823 HD2 LYS 52 -27.091 0.214 -7.866 1.00 20.13 ATOM 824 CE LYS 52 -25.920 0.125 -6.080 1.00 34.00 ATOM 825 HE1 LYS 52 -26.393 0.999 -5.656 1.00 37.61 ATOM 826 HE2 LYS 52 -25.020 0.423 -6.597 1.00 33.35 ATOM 827 NZ LYS 52 -25.553 -0.807 -4.979 1.00 25.23 ATOM 828 HZ1 LYS 52 -26.361 -0.943 -4.340 1.00 15.03 ATOM 829 HZ2 LYS 52 -24.755 -0.421 -4.432 1.00 3.22 ATOM 830 HZ3 LYS 52 -25.277 -1.734 -5.363 1.00 72.30 ATOM 831 C LYS 52 -24.360 -3.964 -8.137 1.00 61.01 ATOM 832 O LYS 52 -23.380 -4.307 -7.482 1.00 4.53 ATOM 833 N ASP 53 -25.514 -4.634 -8.124 1.00 12.33 ATOM 834 HN ASP 53 -26.251 -4.316 -8.687 1.00 37.61 ATOM 835 CA ASP 53 -25.726 -5.827 -7.296 1.00 31.14 ATOM 836 HA ASP 53 -25.670 -5.528 -6.260 1.00 50.33 ATOM 837 CB ASP 53 -27.121 -6.395 -7.583 1.00 15.13 ATOM 838 HB1 ASP 53 -27.124 -6.845 -8.567 1.00 37.61 ATOM 839 HB2 ASP 53 -27.840 -5.588 -7.563 1.00 34.45 ATOM 840 CG ASP 53 -27.546 -7.443 -6.572 1.00 34.13 ATOM 841 OD1 ASP 53 -27.144 -8.616 -6.711 1.00 72.41 ATOM 842 OD2 ASP 53 -28.292 -7.091 -5.631 1.00 41.22 ATOM 843 C ASP 53 -24.650 -6.892 -7.571 1.00 3.42 ATOM 844 O ASP 53 -24.047 -7.447 -6.647 1.00 62.42 ATOM 845 N GLU 54 -24.417 -7.159 -8.853 1.00 61.13 ATOM 846 HN GLU 54 -24.966 -6.713 -9.533 1.00 37.61 ATOM 847 CA GLU 54 -23.382 -8.100 -9.288 1.00 24.40 ATOM 848 HA GLU 54 -23.608 -9.067 -8.860 1.00 51.41 ATOM 849 CB GLU 54 -23.402 -8.217 -10.818 1.00 32.23 ATOM 850 HB1 GLU 54 -22.601 -8.874 -11.128 1.00 37.61 ATOM 851 HB2 GLU 54 -23.235 -7.237 -11.244 1.00 71.42 ATOM 852 CG GLU 54 -24.712 -8.762 -11.382 1.00 22.12 ATOM 853 HG1 GLU 54 -24.677 -8.698 -12.462 1.00 37.61 ATOM 854 HG2 GLU 54 -25.527 -8.154 -11.017 1.00 13.52 ATOM 855 CD GLU 54 -24.964 -10.208 -10.988 1.00 74.42 ATOM 856 OE1 GLU 54 -25.685 -10.457 -10.000 1.00 55.43 ATOM 857 OE2 GLU 54 -24.426 -11.106 -11.667 1.00 13.32 ATOM 858 C GLU 54 -21.986 -7.661 -8.815 1.00 72.03 ATOM 859 O GLU 54 -21.220 -8.463 -8.277 1.00 44.30 ATOM 860 N LEU 55 -21.664 -6.382 -9.011 1.00 25.01 ATOM 861 HN LEU 55 -22.323 -5.785 -9.430 1.00 37.61 ATOM 862 CA LEU 55 -20.357 -5.840 -8.615 1.00 25.14 ATOM 863 HA LEU 55 -19.598 -6.433 -9.108 1.00 3.25 ATOM 864 CB LEU 55 -20.225 -4.387 -9.090 1.00 61.12 ATOM 865 HB1 LEU 55 -19.306 -3.979 -8.693 1.00 37.61 ATOM 866 HB2 LEU 55 -21.054 -3.824 -8.682 1.00 11.04 ATOM 867 CG LEU 55 -20.214 -4.199 -10.619 1.00 72.11 ATOM 868 HG LEU 55 -21.115 -4.628 -11.035 1.00 24.14 ATOM 869 CD1 LEU 55 -20.201 -2.716 -10.976 1.00 40.22 ATOM 870 HD11 LEU 55 -21.085 -2.241 -10.574 1.00 44.20 ATOM 871 HD12 LEU 55 -20.191 -2.602 -12.050 1.00 12.12 ATOM 872 HD13 LEU 55 -19.320 -2.248 -10.557 1.00 34.41 ATOM 873 CD2 LEU 55 -19.017 -4.918 -11.246 1.00 64.21 ATOM 874 HD21 LEU 55 -19.071 -5.974 -11.020 1.00 63.12 ATOM 875 HD22 LEU 55 -18.098 -4.514 -10.847 1.00 63.41 ATOM 876 HD23 LEU 55 -19.033 -4.781 -12.318 1.00 1.23 ATOM 877 C LEU 55 -20.132 -5.929 -7.095 1.00 11.34 ATOM 878 O LEU 55 -19.011 -6.157 -6.640 1.00 70.03 ATOM 879 N GLU 56 -21.200 -5.751 -6.317 1.00 71.41 ATOM 880 HN GLU 56 -22.059 -5.522 -6.732 1.00 37.61 ATOM 881 CA GLU 56 -21.123 -5.879 -4.855 1.00 35.10 ATOM 882 HA GLU 56 -20.287 -5.287 -4.513 1.00 0.21 ATOM 883 CB GLU 56 -22.409 -5.359 -4.195 1.00 53.03 ATOM 884 HB1 GLU 56 -22.298 -5.424 -3.121 1.00 37.61 ATOM 885 HB2 GLU 56 -23.232 -5.992 -4.498 1.00 22.33 ATOM 886 CG GLU 56 -22.768 -3.920 -4.550 1.00 43.02 ATOM 887 HG1 GLU 56 -23.687 -3.660 -4.042 1.00 37.61 ATOM 888 HG2 GLU 56 -22.923 -3.860 -5.615 1.00 55.34 ATOM 889 CD GLU 56 -21.700 -2.912 -4.165 1.00 74.20 ATOM 890 OE1 GLU 56 -21.250 -2.928 -2.998 1.00 5.12 ATOM 891 OE2 GLU 56 -21.336 -2.078 -5.020 1.00 75.24 ATOM 892 C GLU 56 -20.901 -7.341 -4.435 1.00 12.44 ATOM 893 O GLU 56 -20.242 -7.622 -3.429 1.00 71.20 ATOM 894 N ALA 57 -21.473 -8.265 -5.206 1.00 63.11 ATOM 895 HN ALA 57 -21.994 -7.973 -5.985 1.00 37.61 ATOM 896 CA ALA 57 -21.357 -9.701 -4.926 1.00 51.13 ATOM 897 HA ALA 57 -21.525 -9.848 -3.867 1.00 70.53 ATOM 898 CB ALA 57 -22.434 -10.469 -5.682 1.00 12.35 ATOM 899 HB1 ALA 57 -23.408 -10.083 -5.415 1.00 35.22 ATOM 900 HB2 ALA 57 -22.382 -11.516 -5.423 1.00 74.34 ATOM 901 HB3 ALA 57 -22.281 -10.355 -6.747 1.00 72.23 ATOM 902 C ALA 57 -19.964 -10.246 -5.285 1.00 71.24 ATOM 903 O ALA 57 -19.432 -11.123 -4.600 1.00 63.42 ATOM 904 N LYS 58 -19.382 -9.731 -6.365 1.00 23.33 ATOM 905 HN LYS 58 -19.863 -9.050 -6.886 1.00 37.61 ATOM 906 CA LYS 58 -18.043 -10.146 -6.797 1.00 60.21 ATOM 907 HA LYS 58 -17.962 -11.215 -6.647 1.00 63.45 ATOM 908 CB LYS 58 -17.856 -9.835 -8.288 1.00 32.35 ATOM 909 HB1 LYS 58 -16.921 -10.265 -8.621 1.00 37.61 ATOM 910 HB2 LYS 58 -17.815 -8.763 -8.420 1.00 64.33 ATOM 911 CG LYS 58 -18.974 -10.383 -9.169 1.00 2.41 ATOM 912 HG1 LYS 58 -19.920 -9.997 -8.813 1.00 37.61 ATOM 913 HG2 LYS 58 -18.977 -11.462 -9.097 1.00 33.20 ATOM 914 CD LYS 58 -18.792 -9.988 -10.633 1.00 60.10 ATOM 915 HD1 LYS 58 -17.916 -10.488 -11.024 1.00 37.61 ATOM 916 HD2 LYS 58 -18.651 -8.918 -10.693 1.00 31.02 ATOM 917 CE LYS 58 -20.001 -10.370 -11.483 1.00 54.44 ATOM 918 HE1 LYS 58 -19.790 -10.130 -12.516 1.00 37.61 ATOM 919 HE2 LYS 58 -20.856 -9.799 -11.152 1.00 20.21 ATOM 920 NZ LYS 58 -20.322 -11.817 -11.381 1.00 35.42 ATOM 921 HZ1 LYS 58 -21.052 -12.072 -12.076 1.00 52.40 ATOM 922 HZ2 LYS 58 -20.680 -12.038 -10.430 1.00 2.31 ATOM 923 HZ3 LYS 58 -19.474 -12.387 -11.560 1.00 71.03 ATOM 924 C LYS 58 -16.968 -9.444 -5.948 1.00 24.52 ATOM 925 O LYS 58 -16.459 -8.385 -6.311 1.00 21.22 ATOM 926 N HIS 59 -16.630 -10.053 -4.815 1.00 60.32 ATOM 927 HN HIS 59 -16.946 -10.967 -4.658 1.00 37.61 ATOM 928 CA HIS 59 -15.811 -9.400 -3.787 1.00 3.40 ATOM 929 HA HIS 59 -16.286 -8.457 -3.553 1.00 63.13 ATOM 930 CB HIS 59 -15.795 -10.256 -2.514 1.00 41.31 ATOM 931 HB1 HIS 59 -15.178 -11.128 -2.679 1.00 37.61 ATOM 932 HB2 HIS 59 -16.803 -10.575 -2.290 1.00 52.51 ATOM 933 CG HIS 59 -15.265 -9.532 -1.313 1.00 72.04 ATOM 934 ND1 HIS 59 -14.096 -9.883 -0.669 1.00 33.21 ATOM 935 HD1 HIS 59 -13.502 -10.628 -0.915 1.00 53.02 ATOM 936 CD2 HIS 59 -15.755 -8.465 -0.633 1.00 21.21 ATOM 937 HD2 HIS 59 -16.663 -7.923 -0.857 1.00 63.01 ATOM 938 CE1 HIS 59 -13.892 -9.069 0.345 1.00 14.35 ATOM 939 HE1 HIS 59 -13.056 -9.109 1.028 1.00 34.22 ATOM 940 NE2 HIS 59 -14.880 -8.202 0.389 1.00 34.13 ATOM 941 HE2 HIS 59 -14.951 -7.460 1.028 1.00 37.61 ATOM 942 C HIS 59 -14.370 -9.106 -4.248 1.00 15.12 ATOM 943 O HIS 59 -13.652 -8.354 -3.588 1.00 42.51 ATOM 944 N TRP 60 -13.947 -9.694 -5.367 1.00 30.21 ATOM 945 HN TRP 60 -14.543 -10.307 -5.842 1.00 37.61 ATOM 946 CA TRP 60 -12.597 -9.443 -5.894 1.00 5.43 ATOM 947 HA TRP 60 -11.934 -9.370 -5.040 1.00 52.44 ATOM 948 CB TRP 60 -12.118 -10.612 -6.775 1.00 24.03 ATOM 949 HB1 TRP 60 -12.149 -11.523 -6.192 1.00 37.61 ATOM 950 HB2 TRP 60 -11.096 -10.427 -7.074 1.00 32.23 ATOM 951 CG TRP 60 -12.924 -10.838 -8.023 1.00 70.53 ATOM 952 CD1 TRP 60 -14.132 -11.466 -8.121 1.00 54.44 ATOM 953 HD1 TRP 60 -14.675 -11.872 -7.282 1.00 63.13 ATOM 954 CD2 TRP 60 -12.559 -10.462 -9.354 1.00 62.44 ATOM 955 NE1 TRP 60 -14.546 -11.492 -9.428 1.00 50.52 ATOM 956 HE1 TRP 60 -15.385 -11.885 -9.752 1.00 44.41 ATOM 957 CE2 TRP 60 -13.596 -10.884 -10.206 1.00 34.33 ATOM 958 CE3 TRP 60 -11.457 -9.806 -9.907 1.00 73.12 ATOM 959 HE3 TRP 60 -10.641 -9.466 -9.287 1.00 3.42 ATOM 960 CZ2 TRP 60 -13.563 -10.671 -11.580 1.00 43.34 ATOM 961 HZ2 TRP 60 -14.363 -10.998 -12.229 1.00 42.30 ATOM 962 CZ3 TRP 60 -11.425 -9.594 -11.272 1.00 3.30 ATOM 963 HZ3 TRP 60 -10.581 -9.092 -11.718 1.00 13.55 ATOM 964 CH2 TRP 60 -12.471 -10.028 -12.095 1.00 34.22 ATOM 965 HH2 TRP 60 -12.402 -9.842 -13.157 1.00 52.44 ATOM 966 C TRP 60 -12.520 -8.108 -6.659 1.00 62.15 ATOM 967 O TRP 60 -11.437 -7.662 -7.042 1.00 54.42 ATOM 968 N ILE 61 -13.675 -7.474 -6.876 1.00 13.43 ATOM 969 HN ILE 61 -14.516 -7.926 -6.646 1.00 37.61 ATOM 970 CA ILE 61 -13.731 -6.123 -7.448 1.00 71.30 ATOM 971 HA ILE 61 -12.999 -6.064 -8.243 1.00 53.44 ATOM 972 CB ILE 61 -15.140 -5.806 -8.048 1.00 73.04 ATOM 973 HB ILE 61 -15.886 -6.174 -7.356 1.00 10.03 ATOM 974 CG1 ILE 61 -15.344 -6.497 -9.409 1.00 75.34 ATOM 975 HG11 ILE 61 -14.636 -6.092 -10.118 1.00 37.61 ATOM 976 HG12 ILE 61 -16.346 -6.294 -9.760 1.00 14.01 ATOM 977 CG2 ILE 61 -15.353 -4.296 -8.196 1.00 45.40 ATOM 978 HG21 ILE 61 -14.581 -3.882 -8.828 1.00 4.15 ATOM 979 HG22 ILE 61 -15.312 -3.826 -7.224 1.00 61.40 ATOM 980 HG23 ILE 61 -16.320 -4.110 -8.643 1.00 45.41 ATOM 981 CD1 ILE 61 -15.168 -7.998 -9.386 1.00 64.41 ATOM 982 HD11 ILE 61 -15.415 -8.405 -10.355 1.00 53.35 ATOM 983 HD12 ILE 61 -15.817 -8.427 -8.638 1.00 72.24 ATOM 984 HD13 ILE 61 -14.141 -8.235 -9.149 1.00 41.34 ATOM 985 C ILE 61 -13.392 -5.076 -6.374 1.00 74.11 ATOM 986 O ILE 61 -13.974 -5.076 -5.288 1.00 5.31 ATOM 987 N ALA 62 -12.442 -4.194 -6.668 1.00 20.43 ATOM 988 HN ALA 62 -11.976 -4.259 -7.527 1.00 37.61 ATOM 989 CA ALA 62 -12.083 -3.121 -5.737 1.00 60.44 ATOM 990 HA ALA 62 -11.983 -3.554 -4.750 1.00 11.45 ATOM 991 CB ALA 62 -10.741 -2.514 -6.124 1.00 62.44 ATOM 992 HB1 ALA 62 -10.444 -1.788 -5.381 1.00 64.42 ATOM 993 HB2 ALA 62 -10.827 -2.028 -7.085 1.00 65.01 ATOM 994 HB3 ALA 62 -9.995 -3.293 -6.181 1.00 71.33 ATOM 995 C ALA 62 -13.172 -2.041 -5.700 1.00 10.14 ATOM 996 O ALA 62 -13.808 -1.755 -6.720 1.00 13.02 ATOM 997 N GLU 63 -13.386 -1.436 -4.530 1.00 71.51 ATOM 998 HN GLU 63 -12.836 -1.686 -3.756 1.00 37.61 ATOM 999 CA GLU 63 -14.426 -0.411 -4.371 1.00 1.12 ATOM 1000 HA GLU 63 -15.377 -0.892 -4.558 1.00 13.11 ATOM 1001 CB GLU 63 -14.438 0.146 -2.940 1.00 15.04 ATOM 1002 HB1 GLU 63 -13.471 0.577 -2.723 1.00 37.61 ATOM 1003 HB2 GLU 63 -14.622 -0.667 -2.252 1.00 33.31 ATOM 1004 CG GLU 63 -15.503 1.217 -2.714 1.00 52.12 ATOM 1005 HG1 GLU 63 -16.440 0.867 -3.126 1.00 37.61 ATOM 1006 HG2 GLU 63 -15.203 2.116 -3.235 1.00 72.53 ATOM 1007 CD GLU 63 -15.714 1.550 -1.245 1.00 34.42 ATOM 1008 OE1 GLU 63 -15.195 2.583 -0.775 1.00 43.33 ATOM 1009 OE2 GLU 63 -16.420 0.781 -0.557 1.00 33.40 ATOM 1010 C GLU 63 -14.256 0.727 -5.388 1.00 25.04 ATOM 1011 O GLU 63 -15.233 1.208 -5.960 1.00 60.35 ATOM 1012 N ALA 64 -13.014 1.139 -5.615 1.00 0.45 ATOM 1013 HN ALA 64 -12.288 0.774 -5.068 1.00 37.61 ATOM 1014 CA ALA 64 -12.699 2.140 -6.639 1.00 4.40 ATOM 1015 HA ALA 64 -13.137 3.079 -6.331 1.00 75.44 ATOM 1016 CB ALA 64 -11.192 2.330 -6.729 1.00 31.42 ATOM 1017 HB1 ALA 64 -10.805 2.589 -5.755 1.00 11.03 ATOM 1018 HB2 ALA 64 -10.966 3.125 -7.428 1.00 45.24 ATOM 1019 HB3 ALA 64 -10.730 1.413 -7.066 1.00 32.33 ATOM 1020 C ALA 64 -13.273 1.750 -8.013 1.00 70.03 ATOM 1021 O ALA 64 -13.911 2.563 -8.682 1.00 74.34 ATOM 1022 N ASP 65 -13.059 0.492 -8.412 1.00 3.40 ATOM 1023 HN ASP 65 -12.568 -0.117 -7.823 1.00 37.61 ATOM 1024 CA ASP 65 -13.534 -0.004 -9.708 1.00 51.25 ATOM 1025 HA ASP 65 -13.152 0.664 -10.470 1.00 4.45 ATOM 1026 CB ASP 65 -12.984 -1.410 -9.975 1.00 72.32 ATOM 1027 HB1 ASP 65 -13.448 -1.808 -10.867 1.00 37.61 ATOM 1028 HB2 ASP 65 -13.220 -2.050 -9.137 1.00 12.42 ATOM 1029 CG ASP 65 -11.480 -1.410 -10.179 1.00 44.20 ATOM 1030 OD1 ASP 65 -11.028 -0.994 -11.264 1.00 3.15 ATOM 1031 OD2 ASP 65 -10.745 -1.826 -9.262 1.00 61.02 ATOM 1032 C ASP 65 -15.068 -0.017 -9.798 1.00 62.13 ATOM 1033 O ASP 65 -15.639 0.509 -10.757 1.00 64.03 ATOM 1034 N ARG 66 -15.738 -0.613 -8.804 1.00 11.20 ATOM 1035 HN ARG 66 -15.236 -1.010 -8.058 1.00 37.61 ATOM 1036 CA ARG 66 -17.206 -0.688 -8.818 1.00 70.50 ATOM 1037 HA ARG 66 -17.488 -1.207 -9.725 1.00 4.42 ATOM 1038 CB ARG 66 -17.753 -1.483 -7.612 1.00 10.22 ATOM 1039 HB1 ARG 66 -17.314 -2.472 -7.621 1.00 37.61 ATOM 1040 HB2 ARG 66 -18.824 -1.580 -7.721 1.00 31.44 ATOM 1041 CG ARG 66 -17.471 -0.850 -6.252 1.00 44.23 ATOM 1042 HG1 ARG 66 -17.748 0.194 -6.289 1.00 37.61 ATOM 1043 HG2 ARG 66 -16.413 -0.931 -6.044 1.00 41.21 ATOM 1044 CD ARG 66 -18.249 -1.528 -5.125 1.00 52.43 ATOM 1045 HD1 ARG 66 -17.931 -2.557 -5.046 1.00 37.61 ATOM 1046 HD2 ARG 66 -19.302 -1.497 -5.365 1.00 42.33 ATOM 1047 NE ARG 66 -18.032 -0.860 -3.836 1.00 75.22 ATOM 1048 HE ARG 66 -17.144 -0.918 -3.443 1.00 53.25 ATOM 1049 CZ ARG 66 -18.950 -0.176 -3.199 1.00 54.44 ATOM 1050 NH1 ARG 66 -20.166 -0.143 -3.630 1.00 72.30 ATOM 1051 HH11 ARG 66 -20.417 -0.654 -4.452 1.00 1.05 ATOM 1052 HH12 ARG 66 -20.855 0.377 -3.137 1.00 64.44 ATOM 1053 NH2 ARG 66 -18.655 0.447 -2.105 1.00 13.45 ATOM 1054 HH21 ARG 66 -17.732 0.401 -1.737 1.00 3.25 ATOM 1055 HH22 ARG 66 -19.354 0.985 -1.636 1.00 32.44 ATOM 1056 C ARG 66 -17.833 0.719 -8.858 1.00 73.34 ATOM 1057 O ARG 66 -18.772 0.963 -9.610 1.00 1.40 ATOM 1058 N ILE 67 -17.291 1.645 -8.064 1.00 71.31 ATOM 1059 HN ILE 67 -16.541 1.396 -7.482 1.00 37.61 ATOM 1060 CA ILE 67 -17.784 3.028 -8.042 1.00 75.41 ATOM 1061 HA ILE 67 -18.851 2.994 -7.863 1.00 0.13 ATOM 1062 CB ILE 67 -17.127 3.843 -6.893 1.00 32.22 ATOM 1063 HB ILE 67 -16.054 3.807 -7.029 1.00 61.02 ATOM 1064 CG1 ILE 67 -17.476 3.226 -5.525 1.00 52.24 ATOM 1065 HG11 ILE 67 -17.004 3.806 -4.744 1.00 37.61 ATOM 1066 HG12 ILE 67 -17.101 2.214 -5.487 1.00 31.03 ATOM 1067 CG2 ILE 67 -17.557 5.309 -6.946 1.00 23.55 ATOM 1068 HG21 ILE 67 -17.207 5.755 -7.866 1.00 72.32 ATOM 1069 HG22 ILE 67 -17.133 5.842 -6.106 1.00 12.33 ATOM 1070 HG23 ILE 67 -18.634 5.371 -6.902 1.00 21.21 ATOM 1071 CD1 ILE 67 -18.961 3.174 -5.228 1.00 21.34 ATOM 1072 HD11 ILE 67 -19.378 4.168 -5.291 1.00 4.34 ATOM 1073 HD12 ILE 67 -19.112 2.783 -4.234 1.00 2.20 ATOM 1074 HD13 ILE 67 -19.450 2.530 -5.945 1.00 35.43 ATOM 1075 C ILE 67 -17.537 3.729 -9.390 1.00 55.23 ATOM 1076 O ILE 67 -18.431 4.378 -9.934 1.00 43.33 ATOM 1077 N ASN 68 -16.326 3.575 -9.928 1.00 35.44 ATOM 1078 HN ASN 68 -15.656 3.051 -9.440 1.00 37.61 ATOM 1079 CA ASN 68 -15.960 4.168 -11.224 1.00 64.21 ATOM 1080 HA ASN 68 -15.988 5.244 -11.116 1.00 63.02 ATOM 1081 CB ASN 68 -14.537 3.742 -11.610 1.00 31.34 ATOM 1082 HB1 ASN 68 -14.482 2.661 -11.613 1.00 37.61 ATOM 1083 HB2 ASN 68 -13.843 4.127 -10.878 1.00 24.41 ATOM 1084 CG ASN 68 -14.115 4.251 -12.977 1.00 65.05 ATOM 1085 OD1 ASN 68 -14.489 5.339 -13.397 1.00 11.44 ATOM 1086 ND2 ASN 68 -13.349 3.452 -13.691 1.00 31.12 ATOM 1087 HD21 ASN 68 -13.098 2.587 -13.306 1.00 34.13 ATOM 1088 HD22 ASN 68 -13.063 3.758 -14.574 1.00 23.24 ATOM 1089 C ASN 68 -16.938 3.753 -12.337 1.00 14.32 ATOM 1090 O ASN 68 -17.596 4.598 -12.952 1.00 12.33 ATOM 1091 N VAL 69 -17.041 2.446 -12.577 1.00 55.03 ATOM 1092 HN VAL 69 -16.540 1.817 -12.010 1.00 37.61 ATOM 1093 CA VAL 69 -17.875 1.924 -13.664 1.00 14.23 ATOM 1094 HA VAL 69 -17.552 2.415 -14.574 1.00 11.14 ATOM 1095 CB VAL 69 -17.678 0.399 -13.860 1.00 14.54 ATOM 1096 HB VAL 69 -18.306 0.080 -14.683 1.00 74.45 ATOM 1097 CG1 VAL 69 -16.227 0.091 -14.233 1.00 21.30 ATOM 1098 HG11 VAL 69 -15.569 0.439 -13.450 1.00 75.41 ATOM 1099 HG12 VAL 69 -15.980 0.593 -15.158 1.00 4.04 ATOM 1100 HG13 VAL 69 -16.104 -0.975 -14.360 1.00 22.52 ATOM 1101 CG2 VAL 69 -18.100 -0.374 -12.613 1.00 60.25 ATOM 1102 HG21 VAL 69 -19.149 -0.200 -12.419 1.00 52.21 ATOM 1103 HG22 VAL 69 -17.519 -0.041 -11.765 1.00 13.13 ATOM 1104 HG23 VAL 69 -17.935 -1.431 -12.768 1.00 12.31 ATOM 1105 C VAL 69 -19.369 2.238 -13.459 1.00 1.33 ATOM 1106 O VAL 69 -20.086 2.511 -14.420 1.00 41.45 ATOM 1107 N LEU 70 -19.832 2.216 -12.208 1.00 23.55 ATOM 1108 HN LEU 70 -19.227 1.958 -11.478 1.00 37.61 ATOM 1109 CA LEU 70 -21.228 2.556 -11.901 1.00 32.01 ATOM 1110 HA LEU 70 -21.857 1.967 -12.556 1.00 30.23 ATOM 1111 CB LEU 70 -21.567 2.202 -10.448 1.00 54.34 ATOM 1112 HB1 LEU 70 -22.506 2.673 -10.194 1.00 37.61 ATOM 1113 HB2 LEU 70 -20.794 2.613 -9.812 1.00 31.41 ATOM 1114 CG LEU 70 -21.690 0.696 -10.154 1.00 3.14 ATOM 1115 HG LEU 70 -20.762 0.209 -10.418 1.00 14.35 ATOM 1116 CD1 LEU 70 -21.936 0.451 -8.667 1.00 61.21 ATOM 1117 HD11 LEU 70 -21.109 0.846 -8.094 1.00 34.54 ATOM 1118 HD12 LEU 70 -22.023 -0.611 -8.484 1.00 13.02 ATOM 1119 HD13 LEU 70 -22.850 0.943 -8.364 1.00 44.45 ATOM 1120 CD2 LEU 70 -22.803 0.076 -10.999 1.00 4.43 ATOM 1121 HD21 LEU 70 -22.859 -0.984 -10.797 1.00 1.42 ATOM 1122 HD22 LEU 70 -22.590 0.230 -12.046 1.00 71.04 ATOM 1123 HD23 LEU 70 -23.748 0.540 -10.751 1.00 32.34 ATOM 1124 C LEU 70 -21.521 4.040 -12.162 1.00 14.03 ATOM 1125 O LEU 70 -22.580 4.383 -12.683 1.00 71.21 ATOM 1126 N ASN 71 -20.583 4.915 -11.801 1.00 64.54 ATOM 1127 HN ASN 71 -19.765 4.587 -11.365 1.00 37.61 ATOM 1128 CA ASN 71 -20.747 6.355 -12.035 1.00 74.32 ATOM 1129 HA ASN 71 -21.693 6.646 -11.600 1.00 24.34 ATOM 1130 CB ASN 71 -19.629 7.150 -11.350 1.00 15.02 ATOM 1131 HB1 ASN 71 -19.641 8.169 -11.713 1.00 37.61 ATOM 1132 HB2 ASN 71 -18.677 6.700 -11.588 1.00 54.54 ATOM 1133 CG ASN 71 -19.784 7.182 -9.840 1.00 54.04 ATOM 1134 OD1 ASN 71 -20.889 7.120 -9.311 1.00 30.12 ATOM 1135 ND2 ASN 71 -18.681 7.289 -9.134 1.00 2.24 ATOM 1136 HD21 ASN 71 -17.828 7.342 -9.614 1.00 62.31 ATOM 1137 HD22 ASN 71 -18.759 7.311 -8.163 1.00 5.24 ATOM 1138 C ASN 71 -20.789 6.684 -13.533 1.00 22.14 ATOM 1139 O ASN 71 -21.709 7.362 -14.002 1.00 55.54 ATOM 1140 N GLN 72 -19.801 6.200 -14.288 1.00 41.42 ATOM 1141 HN GLN 72 -19.086 5.675 -13.865 1.00 37.61 ATOM 1142 CA GLN 72 -19.765 6.440 -15.735 1.00 32.44 ATOM 1143 HA GLN 72 -19.841 7.510 -15.881 1.00 21.21 ATOM 1144 CB GLN 72 -18.435 5.959 -16.341 1.00 32.55 ATOM 1145 HB1 GLN 72 -17.627 6.504 -15.870 1.00 37.61 ATOM 1146 HB2 GLN 72 -18.433 6.186 -17.399 1.00 54.33 ATOM 1147 CG GLN 72 -18.166 4.467 -16.174 1.00 3.01 ATOM 1148 HG1 GLN 72 -18.913 3.916 -16.728 1.00 37.61 ATOM 1149 HG2 GLN 72 -18.244 4.217 -15.126 1.00 71.24 ATOM 1150 CD GLN 72 -16.785 4.046 -16.663 1.00 24.52 ATOM 1151 OE1 GLN 72 -16.596 2.939 -17.150 1.00 72.44 ATOM 1152 NE2 GLN 72 -15.804 4.915 -16.519 1.00 64.52 ATOM 1153 HE21 GLN 72 -16.003 5.779 -16.108 1.00 41.41 ATOM 1154 HE22 GLN 72 -14.915 4.652 -16.825 1.00 4.30 ATOM 1155 C GLN 72 -20.968 5.777 -16.432 1.00 73.25 ATOM 1156 O GLN 72 -21.490 6.299 -17.418 1.00 33.42 ATOM 1157 N ALA 73 -21.421 4.638 -15.896 1.00 2.30 ATOM 1158 HN ALA 73 -20.910 4.214 -15.173 1.00 37.61 ATOM 1159 CA ALA 73 -22.654 3.996 -16.369 1.00 11.53 ATOM 1160 HA ALA 73 -22.541 3.798 -17.428 1.00 21.34 ATOM 1161 CB ALA 73 -22.875 2.663 -15.656 1.00 65.42 ATOM 1162 HB1 ALA 73 -23.771 2.191 -16.037 1.00 11.01 ATOM 1163 HB2 ALA 73 -22.984 2.834 -14.594 1.00 4.42 ATOM 1164 HB3 ALA 73 -22.027 2.016 -15.828 1.00 62.12 ATOM 1165 C ALA 73 -23.862 4.917 -16.161 1.00 33.02 ATOM 1166 O ALA 73 -24.665 5.121 -17.071 1.00 41.34 ATOM 1167 N THR 74 -23.974 5.479 -14.956 1.00 4.44 ATOM 1168 HN THR 74 -23.333 5.229 -14.254 1.00 37.61 ATOM 1169 CA THR 74 -25.031 6.445 -14.637 1.00 54.21 ATOM 1170 HA THR 74 -25.982 5.933 -14.704 1.00 44.22 ATOM 1171 CB THR 74 -24.879 7.011 -13.202 1.00 32.53 ATOM 1172 HB THR 74 -23.939 7.544 -13.140 1.00 15.23 ATOM 1173 OG1 THR 74 -24.866 5.943 -12.247 1.00 62.21 ATOM 1174 HG1 THR 74 -24.353 6.211 -11.475 1.00 51.33 ATOM 1175 CG2 THR 74 -26.011 7.977 -12.864 1.00 3.20 ATOM 1176 HG21 THR 74 -26.960 7.465 -12.949 1.00 61.43 ATOM 1177 HG22 THR 74 -25.992 8.812 -13.551 1.00 10.11 ATOM 1178 HG23 THR 74 -25.889 8.339 -11.854 1.00 61.31 ATOM 1179 C THR 74 -25.021 7.614 -15.629 1.00 1.55 ATOM 1180 O THR 74 -26.065 8.017 -16.146 1.00 74.23 ATOM 1181 N GLU 75 -23.831 8.152 -15.895 1.00 52.41 ATOM 1182 HN GLU 75 -23.036 7.802 -15.432 1.00 37.61 ATOM 1183 CA GLU 75 -23.673 9.250 -16.854 1.00 13.43 ATOM 1184 HA GLU 75 -24.257 10.086 -16.489 1.00 52.51 ATOM 1185 CB GLU 75 -22.197 9.678 -16.935 1.00 22.50 ATOM 1186 HB1 GLU 75 -22.098 10.447 -17.690 1.00 37.61 ATOM 1187 HB2 GLU 75 -21.600 8.824 -17.226 1.00 51.21 ATOM 1188 CG GLU 75 -21.644 10.227 -15.620 1.00 72.45 ATOM 1189 HG1 GLU 75 -21.740 9.463 -14.861 1.00 37.61 ATOM 1190 HG2 GLU 75 -22.231 11.089 -15.331 1.00 50.31 ATOM 1191 CD GLU 75 -20.182 10.646 -15.712 1.00 31.54 ATOM 1192 OE1 GLU 75 -19.906 11.734 -16.261 1.00 32.13 ATOM 1193 OE2 GLU 75 -19.307 9.897 -15.226 1.00 31.42 ATOM 1194 C GLU 75 -24.202 8.860 -18.248 1.00 72.54 ATOM 1195 O GLU 75 -24.871 9.656 -18.911 1.00 32.23 ATOM 1196 N VAL 76 -23.907 7.632 -18.682 1.00 50.24 ATOM 1197 HN VAL 76 -23.323 7.060 -18.135 1.00 37.61 ATOM 1198 CA VAL 76 -24.422 7.116 -19.961 1.00 15.41 ATOM 1199 HA VAL 76 -24.159 7.829 -20.733 1.00 11.12 ATOM 1200 CB VAL 76 -23.784 5.750 -20.328 1.00 0.43 ATOM 1201 HB VAL 76 -24.017 5.046 -19.540 1.00 63.53 ATOM 1202 CG1 VAL 76 -24.366 5.209 -21.635 1.00 75.41 ATOM 1203 HG11 VAL 76 -24.152 5.898 -22.440 1.00 32.34 ATOM 1204 HG12 VAL 76 -25.436 5.095 -21.535 1.00 73.32 ATOM 1205 HG13 VAL 76 -23.923 4.249 -21.858 1.00 4.54 ATOM 1206 CG2 VAL 76 -22.263 5.870 -20.424 1.00 43.41 ATOM 1207 HG21 VAL 76 -22.003 6.578 -21.199 1.00 34.12 ATOM 1208 HG22 VAL 76 -21.839 4.906 -20.661 1.00 23.40 ATOM 1209 HG23 VAL 76 -21.867 6.212 -19.478 1.00 32.43 ATOM 1210 C VAL 76 -25.955 6.962 -19.931 1.00 51.35 ATOM 1211 O VAL 76 -26.644 7.321 -20.887 1.00 2.35 ATOM 1212 N ILE 77 -26.478 6.429 -18.826 1.00 34.23 ATOM 1213 HN ILE 77 -25.871 6.134 -18.115 1.00 37.61 ATOM 1214 CA ILE 77 -27.928 6.264 -18.638 1.00 74.24 ATOM 1215 HA ILE 77 -28.283 5.576 -19.394 1.00 64.02 ATOM 1216 CB ILE 77 -28.235 5.653 -17.243 1.00 45.12 ATOM 1217 HB ILE 77 -27.743 6.260 -16.496 1.00 71.43 ATOM 1218 CG1 ILE 77 -27.682 4.219 -17.160 1.00 44.52 ATOM 1219 HG11 ILE 77 -26.619 4.239 -17.353 1.00 37.61 ATOM 1220 HG12 ILE 77 -28.165 3.610 -17.911 1.00 51.12 ATOM 1221 CG2 ILE 77 -29.736 5.671 -16.951 1.00 52.30 ATOM 1222 HG21 ILE 77 -30.258 5.110 -17.713 1.00 4.12 ATOM 1223 HG22 ILE 77 -30.094 6.690 -16.947 1.00 21.14 ATOM 1224 HG23 ILE 77 -29.923 5.222 -15.985 1.00 31.44 ATOM 1225 CD1 ILE 77 -27.898 3.550 -15.819 1.00 53.42 ATOM 1226 HD11 ILE 77 -27.446 2.569 -15.831 1.00 73.40 ATOM 1227 HD12 ILE 77 -28.958 3.455 -15.630 1.00 62.53 ATOM 1228 HD13 ILE 77 -27.446 4.146 -15.041 1.00 50.14 ATOM 1229 C ILE 77 -28.673 7.602 -18.795 1.00 70.23 ATOM 1230 O ILE 77 -29.635 7.707 -19.562 1.00 11.30 ATOM 1231 N ASN 78 -28.213 8.626 -18.077 1.00 0.23 ATOM 1232 HN ASN 78 -27.458 8.478 -17.468 1.00 37.61 ATOM 1233 CA ASN 78 -28.805 9.966 -18.175 1.00 55.12 ATOM 1234 HA ASN 78 -29.873 9.860 -18.028 1.00 22.23 ATOM 1235 CB ASN 78 -28.250 10.885 -17.080 1.00 42.42 ATOM 1236 HB1 ASN 78 -28.585 11.897 -17.258 1.00 37.61 ATOM 1237 HB2 ASN 78 -27.170 10.861 -17.107 1.00 43.21 ATOM 1238 CG ASN 78 -28.711 10.463 -15.694 1.00 64.41 ATOM 1239 OD1 ASN 78 -29.767 10.871 -15.227 1.00 33.23 ATOM 1240 ND2 ASN 78 -27.927 9.648 -15.021 1.00 55.54 ATOM 1241 HD21 ASN 78 -27.091 9.362 -15.435 1.00 13.01 ATOM 1242 HD22 ASN 78 -28.220 9.360 -14.131 1.00 22.44 ATOM 1243 C ASN 78 -28.569 10.584 -19.563 1.00 71.02 ATOM 1244 O ASN 78 -29.386 11.363 -20.045 1.00 22.22 ATOM 1245 N PHE 79 -27.456 10.221 -20.202 1.00 13.12 ATOM 1246 HN PHE 79 -26.822 9.625 -19.748 1.00 37.61 ATOM 1247 CA PHE 79 -27.144 10.691 -21.561 1.00 23.40 ATOM 1248 HA PHE 79 -27.204 11.770 -21.559 1.00 14.22 ATOM 1249 CB PHE 79 -25.717 10.270 -21.940 1.00 25.22 ATOM 1250 HB1 PHE 79 -25.661 9.189 -21.946 1.00 37.61 ATOM 1251 HB2 PHE 79 -25.031 10.648 -21.194 1.00 74.32 ATOM 1252 CG PHE 79 -25.250 10.769 -23.287 1.00 63.52 ATOM 1253 CD1 PHE 79 -25.050 9.890 -24.345 1.00 51.43 ATOM 1254 HD1 PHE 79 -25.240 8.835 -24.202 1.00 55.23 ATOM 1255 CD2 PHE 79 -25.002 12.120 -23.492 1.00 22.03 ATOM 1256 HD2 PHE 79 -25.150 12.817 -22.678 1.00 32.12 ATOM 1257 CE1 PHE 79 -24.615 10.349 -25.574 1.00 22.51 ATOM 1258 HE1 PHE 79 -24.462 9.655 -26.388 1.00 73.41 ATOM 1259 CE2 PHE 79 -24.570 12.582 -24.720 1.00 12.20 ATOM 1260 HE2 PHE 79 -24.384 13.637 -24.866 1.00 74.13 ATOM 1261 CZ PHE 79 -24.376 11.697 -25.761 1.00 75.43 ATOM 1262 HZ PHE 79 -24.037 12.059 -26.721 1.00 72.31 ATOM 1263 C PHE 79 -28.157 10.142 -22.584 1.00 72.31 ATOM 1264 O PHE 79 -28.688 10.885 -23.410 1.00 33.13 ATOM 1265 N TRP 80 -28.419 8.838 -22.512 1.00 10.41 ATOM 1266 HN TRP 80 -27.920 8.292 -21.870 1.00 37.61 ATOM 1267 CA TRP 80 -29.426 8.187 -23.365 1.00 62.41 ATOM 1268 HA TRP 80 -29.113 8.298 -24.394 1.00 62.41 ATOM 1269 CB TRP 80 -29.496 6.691 -23.015 1.00 14.43 ATOM 1270 HB1 TRP 80 -29.786 6.588 -21.977 1.00 37.61 ATOM 1271 HB2 TRP 80 -28.516 6.257 -23.147 1.00 73.12 ATOM 1272 CG TRP 80 -30.465 5.893 -23.848 1.00 53.44 ATOM 1273 CD1 TRP 80 -30.284 5.458 -25.132 1.00 21.01 ATOM 1274 HD1 TRP 80 -29.402 5.658 -25.724 1.00 23.42 ATOM 1275 CD2 TRP 80 -31.754 5.410 -23.443 1.00 40.42 ATOM 1276 NE1 TRP 80 -31.381 4.745 -25.551 1.00 71.32 ATOM 1277 HE1 TRP 80 -31.489 4.331 -26.435 1.00 14.30 ATOM 1278 CE2 TRP 80 -32.296 4.700 -24.533 1.00 21.01 ATOM 1279 CE3 TRP 80 -32.504 5.512 -22.265 1.00 45.02 ATOM 1280 HE3 TRP 80 -32.126 6.048 -21.408 1.00 31.10 ATOM 1281 CZ2 TRP 80 -33.548 4.092 -24.477 1.00 73.55 ATOM 1282 HZ2 TRP 80 -33.956 3.545 -25.316 1.00 25.44 ATOM 1283 CZ3 TRP 80 -33.747 4.908 -22.213 1.00 41.45 ATOM 1284 HZ3 TRP 80 -34.340 4.975 -21.312 1.00 74.13 ATOM 1285 CH2 TRP 80 -34.258 4.207 -23.313 1.00 52.54 ATOM 1286 HH2 TRP 80 -35.234 3.751 -23.227 1.00 33.24 ATOM 1287 C TRP 80 -30.800 8.850 -23.189 1.00 1.00 ATOM 1288 O TRP 80 -31.488 9.167 -24.163 1.00 35.34 ATOM 1289 N GLN 81 -31.187 9.067 -21.936 1.00 2.42 ATOM 1290 HN GLN 81 -30.619 8.744 -21.201 1.00 37.61 ATOM 1291 CA GLN 81 -32.433 9.765 -21.618 1.00 4.03 ATOM 1292 HA GLN 81 -33.243 9.232 -22.099 1.00 54.21 ATOM 1293 CB GLN 81 -32.660 9.753 -20.100 1.00 5.42 ATOM 1294 HB1 GLN 81 -31.822 10.241 -19.619 1.00 37.61 ATOM 1295 HB2 GLN 81 -32.701 8.726 -19.763 1.00 3.42 ATOM 1296 CG GLN 81 -33.941 10.454 -19.653 1.00 75.33 ATOM 1297 HG1 GLN 81 -33.876 11.498 -19.924 1.00 37.61 ATOM 1298 HG2 GLN 81 -34.027 10.370 -18.580 1.00 2.04 ATOM 1299 CD GLN 81 -35.191 9.866 -20.286 1.00 4.14 ATOM 1300 OE1 GLN 81 -35.791 8.937 -19.762 1.00 14.54 ATOM 1301 NE2 GLN 81 -35.602 10.412 -21.413 1.00 50.50 ATOM 1302 HE21 GLN 81 -35.090 11.161 -21.782 1.00 70.03 ATOM 1303 HE22 GLN 81 -36.408 10.048 -21.832 1.00 52.30 ATOM 1304 C GLN 81 -32.409 11.213 -22.145 1.00 21.12 ATOM 1305 O GLN 81 -33.393 11.698 -22.707 1.00 52.13 ATOM 1306 N ASP 82 -31.274 11.887 -21.968 1.00 11.30 ATOM 1307 HN ASP 82 -30.530 11.446 -21.509 1.00 37.61 ATOM 1308 CA ASP 82 -31.092 13.266 -22.433 1.00 65.42 ATOM 1309 HA ASP 82 -31.820 13.883 -21.926 1.00 24.43 ATOM 1310 CB ASP 82 -29.686 13.754 -22.062 1.00 71.11 ATOM 1311 HB1 ASP 82 -28.956 13.095 -22.511 1.00 37.61 ATOM 1312 HB2 ASP 82 -29.573 13.723 -20.987 1.00 5.33 ATOM 1313 CG ASP 82 -29.407 15.169 -22.529 1.00 12.31 ATOM 1314 OD1 ASP 82 -28.530 15.355 -23.398 1.00 61.20 ATOM 1315 OD2 ASP 82 -30.064 16.106 -22.035 1.00 70.23 ATOM 1316 C ASP 82 -31.315 13.385 -23.950 1.00 71.33 ATOM 1317 O ASP 82 -32.008 14.291 -24.420 1.00 24.00 ATOM 1318 N LEU 83 -30.730 12.460 -24.709 1.00 70.24 ATOM 1319 HN LEU 83 -30.176 11.772 -24.281 1.00 37.61 ATOM 1320 CA LEU 83 -30.880 12.453 -26.167 1.00 24.45 ATOM 1321 HA LEU 83 -30.577 13.428 -26.526 1.00 11.43 ATOM 1322 CB LEU 83 -29.972 11.395 -26.805 1.00 41.34 ATOM 1323 HB1 LEU 83 -30.149 11.395 -27.872 1.00 37.61 ATOM 1324 HB2 LEU 83 -30.254 10.427 -26.412 1.00 41.40 ATOM 1325 CG LEU 83 -28.463 11.591 -26.567 1.00 32.33 ATOM 1326 HG LEU 83 -28.241 11.375 -25.530 1.00 30.23 ATOM 1327 CD1 LEU 83 -27.654 10.619 -27.418 1.00 21.53 ATOM 1328 HD11 LEU 83 -27.893 10.765 -28.462 1.00 43.24 ATOM 1329 HD12 LEU 83 -27.893 9.607 -27.132 1.00 71.22 ATOM 1330 HD13 LEU 83 -26.599 10.795 -27.262 1.00 4.20 ATOM 1331 CD2 LEU 83 -28.040 13.033 -26.843 1.00 3.34 ATOM 1332 HD21 LEU 83 -26.975 13.131 -26.688 1.00 21.50 ATOM 1333 HD22 LEU 83 -28.562 13.696 -26.169 1.00 14.22 ATOM 1334 HD23 LEU 83 -28.281 13.295 -27.864 1.00 14.43 ATOM 1335 C LEU 83 -32.340 12.223 -26.586 1.00 5.31 ATOM 1336 O LEU 83 -32.796 12.786 -27.576 1.00 1.30 ATOM 1337 N LYS 84 -33.074 11.401 -25.833 1.00 55.42 ATOM 1338 HN LYS 84 -32.648 10.927 -25.087 1.00 37.61 ATOM 1339 CA LYS 84 -34.503 11.189 -26.105 1.00 23.30 ATOM 1340 HA LYS 84 -34.605 10.955 -27.157 1.00 21.41 ATOM 1341 CB LYS 84 -35.054 10.017 -25.282 1.00 44.42 ATOM 1342 HB1 LYS 84 -36.108 9.903 -25.501 1.00 37.61 ATOM 1343 HB2 LYS 84 -34.937 10.245 -24.232 1.00 15.11 ATOM 1344 CG LYS 84 -34.362 8.685 -25.562 1.00 0.33 ATOM 1345 HG1 LYS 84 -33.323 8.769 -25.275 1.00 37.61 ATOM 1346 HG2 LYS 84 -34.424 8.474 -26.621 1.00 14.42 ATOM 1347 CD LYS 84 -34.998 7.526 -24.788 1.00 20.21 ATOM 1348 HD1 LYS 84 -35.254 7.870 -23.794 1.00 37.61 ATOM 1349 HD2 LYS 84 -34.278 6.725 -24.710 1.00 74.31 ATOM 1350 CE LYS 84 -36.261 6.981 -25.461 1.00 1.24 ATOM 1351 HE1 LYS 84 -36.626 6.143 -24.882 1.00 37.61 ATOM 1352 HE2 LYS 84 -36.003 6.639 -26.453 1.00 60.41 ATOM 1353 NZ LYS 84 -37.346 7.996 -25.573 1.00 40.54 ATOM 1354 HZ1 LYS 84 -37.099 8.710 -26.286 1.00 23.30 ATOM 1355 HZ2 LYS 84 -37.490 8.471 -24.659 1.00 63.35 ATOM 1356 HZ3 LYS 84 -38.238 7.535 -25.853 1.00 20.20 ATOM 1357 C LYS 84 -35.314 12.461 -25.807 1.00 43.13 ATOM 1358 O LYS 84 -36.207 12.829 -26.568 1.00 33.54 ATOM 1359 N ASN 85 -34.988 13.132 -24.699 1.00 24.13 ATOM 1360 HN ASN 85 -34.287 12.772 -24.113 1.00 37.61 ATOM 1361 CA ASN 85 -35.649 14.393 -24.331 1.00 2.00 ATOM 1362 HA ASN 85 -36.710 14.201 -24.244 1.00 15.33 ATOM 1363 CB ASN 85 -35.121 14.906 -22.983 1.00 42.22 ATOM 1364 HB1 ASN 85 -35.650 15.811 -22.717 1.00 37.61 ATOM 1365 HB2 ASN 85 -34.067 15.127 -23.077 1.00 60.33 ATOM 1366 CG ASN 85 -35.297 13.903 -21.859 1.00 32.30 ATOM 1367 OD1 ASN 85 -36.219 13.096 -21.861 1.00 11.12 ATOM 1368 ND2 ASN 85 -34.411 13.945 -20.885 1.00 74.11 ATOM 1369 HD21 ASN 85 -33.695 14.615 -20.942 1.00 43.14 ATOM 1370 HD22 ASN 85 -34.503 13.309 -20.150 1.00 35.33 ATOM 1371 C ASN 85 -35.424 15.462 -25.411 1.00 23.24 ATOM 1372 O ASN 85 -36.361 16.122 -25.862 1.00 35.10 ATOM 1373 N GLN 86 -34.167 15.621 -25.823 1.00 41.20 ATOM 1374 HN GLN 86 -33.460 15.078 -25.408 1.00 37.61 ATOM 1375 CA GLN 86 -33.806 16.583 -26.871 1.00 13.21 ATOM 1376 HA GLN 86 -34.466 17.433 -26.781 1.00 64.20 ATOM 1377 CB GLN 86 -32.361 17.059 -26.673 1.00 0.34 ATOM 1378 HB1 GLN 86 -32.081 17.685 -27.509 1.00 37.61 ATOM 1379 HB2 GLN 86 -31.710 16.195 -26.650 1.00 70.04 ATOM 1380 CG GLN 86 -32.145 17.853 -25.389 1.00 60.42 ATOM 1381 HG1 GLN 86 -32.406 17.227 -24.546 1.00 37.61 ATOM 1382 HG2 GLN 86 -32.789 18.721 -25.404 1.00 50.51 ATOM 1383 CD GLN 86 -30.707 18.318 -25.227 1.00 33.44 ATOM 1384 OE1 GLN 86 -30.326 19.385 -25.699 1.00 52.20 ATOM 1385 NE2 GLN 86 -29.898 17.526 -24.559 1.00 32.52 ATOM 1386 HE21 GLN 86 -30.257 16.687 -24.202 1.00 52.42 ATOM 1387 HE22 GLN 86 -28.969 17.809 -24.440 1.00 61.21 ATOM 1388 C GLN 86 -33.976 15.985 -28.278 1.00 75.40 ATOM 1389 O GLN 86 -33.680 16.640 -29.277 1.00 73.42 ATOM 1390 N ASN 87 -34.445 14.738 -28.342 1.00 33.34 ATOM 1391 HN ASN 87 -34.623 14.261 -27.507 1.00 37.61 ATOM 1392 CA ASN 87 -34.715 14.050 -29.615 1.00 61.21 ATOM 1393 HA ASN 87 -35.018 13.042 -29.375 1.00 62.04 ATOM 1394 CB ASN 87 -35.870 14.747 -30.344 1.00 52.32 ATOM 1395 HB1 ASN 87 -36.147 14.168 -31.213 1.00 37.61 ATOM 1396 HB2 ASN 87 -35.550 15.731 -30.658 1.00 4.41 ATOM 1397 CG ASN 87 -37.090 14.898 -29.453 1.00 62.44 ATOM 1398 OD1 ASN 87 -37.288 15.926 -28.814 1.00 52.24 ATOM 1399 ND2 ASN 87 -37.901 13.865 -29.379 1.00 32.24 ATOM 1400 HD21 ASN 87 -37.679 13.068 -29.898 1.00 52.45 ATOM 1401 HD22 ASN 87 -38.685 13.930 -28.793 1.00 25.54 ATOM 1402 C ASN 87 -33.464 13.973 -30.517 1.00 62.44 ATOM 1403 O ASN 87 -33.570 13.817 -31.736 1.00 43.33 ATOM 1404 N LYS 88 -32.285 14.038 -29.902 1.00 53.24 ATOM 1405 HN LYS 88 -32.267 14.088 -28.925 1.00 37.61 ATOM 1406 CA LYS 88 -31.014 14.017 -30.635 1.00 33.45 ATOM 1407 HA LYS 88 -31.115 14.662 -31.497 1.00 32.04 ATOM 1408 CB LYS 88 -29.873 14.547 -29.755 1.00 10.41 ATOM 1409 HB1 LYS 88 -28.936 14.385 -30.272 1.00 37.61 ATOM 1410 HB2 LYS 88 -29.860 13.981 -28.834 1.00 63.12 ATOM 1411 CG LYS 88 -29.966 16.026 -29.395 1.00 60.02 ATOM 1412 HG1 LYS 88 -30.855 16.190 -28.804 1.00 37.61 ATOM 1413 HG2 LYS 88 -30.021 16.610 -30.305 1.00 42.11 ATOM 1414 CD LYS 88 -28.741 16.465 -28.591 1.00 4.14 ATOM 1415 HD1 LYS 88 -27.850 16.239 -29.162 1.00 37.61 ATOM 1416 HD2 LYS 88 -28.718 15.916 -27.662 1.00 11.21 ATOM 1417 CE LYS 88 -28.754 17.953 -28.273 1.00 22.15 ATOM 1418 HE1 LYS 88 -29.616 18.174 -27.661 1.00 37.61 ATOM 1419 HE2 LYS 88 -28.818 18.509 -29.197 1.00 23.33 ATOM 1420 NZ LYS 88 -27.525 18.365 -27.545 1.00 22.52 ATOM 1421 HZ1 LYS 88 -26.683 18.157 -28.118 1.00 75.15 ATOM 1422 HZ2 LYS 88 -27.451 17.850 -26.646 1.00 53.21 ATOM 1423 HZ3 LYS 88 -27.548 19.386 -27.343 1.00 63.00 ATOM 1424 C LYS 88 -30.643 12.607 -31.113 1.00 22.42 ATOM 1425 O LYS 88 -30.149 11.787 -30.337 1.00 54.11 ATOM 1426 N GLN 89 -30.873 12.324 -32.389 1.00 44.34 ATOM 1427 HN GLN 89 -31.399 12.949 -32.931 1.00 37.61 ATOM 1428 CA GLN 89 -30.364 11.093 -32.995 1.00 34.15 ATOM 1429 HA GLN 89 -30.312 10.342 -32.217 1.00 10.43 ATOM 1430 CB GLN 89 -31.301 10.592 -34.104 1.00 41.34 ATOM 1431 HB1 GLN 89 -30.835 9.752 -34.599 1.00 37.61 ATOM 1432 HB2 GLN 89 -31.446 11.386 -34.825 1.00 74.13 ATOM 1433 CG GLN 89 -32.672 10.149 -33.597 1.00 1.42 ATOM 1434 HG1 GLN 89 -33.185 11.007 -33.189 1.00 37.61 ATOM 1435 HG2 GLN 89 -32.530 9.413 -32.820 1.00 5.43 ATOM 1436 CD GLN 89 -33.536 9.536 -34.690 1.00 1.23 ATOM 1437 OE1 GLN 89 -33.430 9.890 -35.860 1.00 31.33 ATOM 1438 NE2 GLN 89 -34.398 8.613 -34.317 1.00 0.42 ATOM 1439 HE21 GLN 89 -34.436 8.370 -33.369 1.00 20.11 ATOM 1440 HE22 GLN 89 -34.970 8.213 -35.003 1.00 31.54 ATOM 1441 C GLN 89 -28.948 11.320 -33.543 1.00 32.24 ATOM 1442 O GLN 89 -28.705 11.229 -34.749 1.00 23.33 ATOM 1443 N ILE 90 -28.016 11.630 -32.641 1.00 5.40 ATOM 1444 HN ILE 90 -28.269 11.664 -31.694 1.00 37.61 ATOM 1445 CA ILE 90 -26.628 11.922 -33.021 1.00 21.10 ATOM 1446 HA ILE 90 -26.656 12.624 -33.844 1.00 12.34 ATOM 1447 CB ILE 90 -25.841 12.577 -31.859 1.00 51.32 ATOM 1448 HB ILE 90 -24.831 12.764 -32.203 1.00 53.10 ATOM 1449 CG1 ILE 90 -25.788 11.643 -30.637 1.00 75.54 ATOM 1450 HG11 ILE 90 -25.370 10.692 -30.936 1.00 37.61 ATOM 1451 HG12 ILE 90 -26.790 11.487 -30.264 1.00 32.14 ATOM 1452 CG2 ILE 90 -26.465 13.921 -31.491 1.00 73.35 ATOM 1453 HG21 ILE 90 -25.909 14.365 -30.679 1.00 33.52 ATOM 1454 HG22 ILE 90 -27.491 13.772 -31.186 1.00 34.31 ATOM 1455 HG23 ILE 90 -26.436 14.579 -32.348 1.00 51.12 ATOM 1456 CD1 ILE 90 -24.949 12.179 -29.492 1.00 12.41 ATOM 1457 HD11 ILE 90 -23.933 12.331 -29.828 1.00 32.24 ATOM 1458 HD12 ILE 90 -24.956 11.468 -28.679 1.00 23.42 ATOM 1459 HD13 ILE 90 -25.360 13.118 -29.151 1.00 43.01 ATOM 1460 C ILE 90 -25.884 10.662 -33.483 1.00 24.15 ATOM 1461 O ILE 90 -26.359 9.539 -33.299 1.00 51.24 ATOM 1462 N SER 91 -24.718 10.852 -34.091 1.00 22.02 ATOM 1463 HN SER 91 -24.375 11.768 -34.191 1.00 37.61 ATOM 1464 CA SER 91 -23.928 9.728 -34.613 1.00 2.30 ATOM 1465 HA SER 91 -24.618 9.025 -35.061 1.00 45.24 ATOM 1466 CB SER 91 -22.952 10.216 -35.697 1.00 13.41 ATOM 1467 HB1 SER 91 -22.379 9.379 -36.069 1.00 37.61 ATOM 1468 HB2 SER 91 -22.281 10.949 -35.271 1.00 20.34 ATOM 1469 OG SER 91 -23.644 10.816 -36.789 1.00 63.32 ATOM 1470 HG SER 91 -24.572 10.954 -36.545 1.00 12.23 ATOM 1471 C SER 91 -23.155 9.008 -33.496 1.00 32.52 ATOM 1472 O SER 91 -22.760 9.620 -32.502 1.00 11.05 ATOM 1473 N MET 92 -22.938 7.703 -33.671 1.00 1.05 ATOM 1474 HN MET 92 -23.294 7.269 -34.478 1.00 37.61 ATOM 1475 CA MET 92 -22.194 6.885 -32.697 1.00 64.42 ATOM 1476 HA MET 92 -22.779 6.849 -31.788 1.00 52.12 ATOM 1477 CB MET 92 -22.039 5.454 -33.243 1.00 51.33 ATOM 1478 HB1 MET 92 -21.524 5.502 -34.193 1.00 37.61 ATOM 1479 HB2 MET 92 -23.024 5.041 -33.407 1.00 35.12 ATOM 1480 CG MET 92 -21.273 4.494 -32.337 1.00 21.55 ATOM 1481 HG1 MET 92 -21.460 3.482 -32.668 1.00 37.61 ATOM 1482 HG2 MET 92 -21.633 4.611 -31.326 1.00 31.33 ATOM 1483 SD MET 92 -19.489 4.782 -32.350 1.00 73.42 ATOM 1484 CE MET 92 -18.937 3.482 -31.245 1.00 64.11 ATOM 1485 HE1 MET 92 -19.386 3.623 -30.272 1.00 14.00 ATOM 1486 HE2 MET 92 -17.862 3.518 -31.153 1.00 2.43 ATOM 1487 HE3 MET 92 -19.234 2.522 -31.642 1.00 10.15 ATOM 1488 C MET 92 -20.825 7.510 -32.372 1.00 24.30 ATOM 1489 O MET 92 -20.396 7.534 -31.214 1.00 4.51 ATOM 1490 N ALA 93 -20.158 8.038 -33.397 1.00 51.12 ATOM 1491 HN ALA 93 -20.525 7.939 -34.303 1.00 37.61 ATOM 1492 CA ALA 93 -18.884 8.747 -33.213 1.00 34.42 ATOM 1493 HA ALA 93 -18.165 8.040 -32.825 1.00 3.35 ATOM 1494 CB ALA 93 -18.370 9.255 -34.555 1.00 21.03 ATOM 1495 HB1 ALA 93 -18.277 8.428 -35.245 1.00 54.52 ATOM 1496 HB2 ALA 93 -17.403 9.718 -34.419 1.00 3.50 ATOM 1497 HB3 ALA 93 -19.063 9.982 -34.957 1.00 2.11 ATOM 1498 C ALA 93 -19.018 9.916 -32.216 1.00 11.52 ATOM 1499 O ALA 93 -18.105 10.191 -31.436 1.00 54.33 ATOM 1500 N GLU 94 -20.164 10.594 -32.243 1.00 62.43 ATOM 1501 HN GLU 94 -20.857 10.330 -32.882 1.00 37.61 ATOM 1502 CA GLU 94 -20.421 11.721 -31.339 1.00 4.53 ATOM 1503 HA GLU 94 -19.547 12.358 -31.355 1.00 1.31 ATOM 1504 CB GLU 94 -21.632 12.531 -31.826 1.00 23.30 ATOM 1505 HB1 GLU 94 -21.744 13.406 -31.200 1.00 37.61 ATOM 1506 HB2 GLU 94 -22.521 11.919 -31.738 1.00 3.40 ATOM 1507 CG GLU 94 -21.505 12.990 -33.278 1.00 74.45 ATOM 1508 HG1 GLU 94 -21.603 12.127 -33.921 1.00 37.61 ATOM 1509 HG2 GLU 94 -20.527 13.428 -33.420 1.00 70.31 ATOM 1510 CD GLU 94 -22.555 14.013 -33.679 1.00 10.24 ATOM 1511 OE1 GLU 94 -22.332 15.220 -33.447 1.00 5.24 ATOM 1512 OE2 GLU 94 -23.599 13.617 -34.241 1.00 43.11 ATOM 1513 C GLU 94 -20.642 11.236 -29.897 1.00 30.03 ATOM 1514 O GLU 94 -20.256 11.906 -28.939 1.00 4.14 ATOM 1515 N ALA 95 -21.259 10.063 -29.752 1.00 21.14 ATOM 1516 HN ALA 95 -21.629 9.616 -30.544 1.00 37.61 ATOM 1517 CA ALA 95 -21.404 9.426 -28.437 1.00 22.21 ATOM 1518 HA ALA 95 -21.929 10.116 -27.788 1.00 61.35 ATOM 1519 CB ALA 95 -22.236 8.153 -28.554 1.00 23.14 ATOM 1520 HB1 ALA 95 -22.359 7.708 -27.577 1.00 50.31 ATOM 1521 HB2 ALA 95 -21.736 7.454 -29.208 1.00 52.21 ATOM 1522 HB3 ALA 95 -23.207 8.395 -28.963 1.00 54.24 ATOM 1523 C ALA 95 -20.023 9.119 -27.830 1.00 61.41 ATOM 1524 O ALA 95 -19.817 9.246 -26.622 1.00 34.55 ATOM 1525 N GLN 96 -19.079 8.723 -28.689 1.00 33.44 ATOM 1526 HN GLN 96 -19.332 8.552 -29.622 1.00 37.61 ATOM 1527 CA GLN 96 -17.680 8.523 -28.281 1.00 12.22 ATOM 1528 HA GLN 96 -17.686 7.940 -27.370 1.00 54.52 ATOM 1529 CB GLN 96 -16.914 7.741 -29.360 1.00 42.24 ATOM 1530 HB1 GLN 96 -15.853 7.819 -29.165 1.00 37.61 ATOM 1531 HB2 GLN 96 -17.125 8.179 -30.327 1.00 32.11 ATOM 1532 CG GLN 96 -17.281 6.262 -29.413 1.00 62.32 ATOM 1533 HG1 GLN 96 -16.803 5.814 -30.272 1.00 37.61 ATOM 1534 HG2 GLN 96 -18.354 6.171 -29.511 1.00 43.14 ATOM 1535 CD GLN 96 -16.839 5.515 -28.164 1.00 70.35 ATOM 1536 OE1 GLN 96 -15.741 4.967 -28.106 1.00 30.11 ATOM 1537 NE2 GLN 96 -17.680 5.497 -27.150 1.00 13.40 ATOM 1538 HE21 GLN 96 -18.538 5.954 -27.250 1.00 11.24 ATOM 1539 HE22 GLN 96 -17.397 5.045 -26.326 1.00 24.24 ATOM 1540 C GLN 96 -16.980 9.859 -27.990 1.00 21.15 ATOM 1541 O GLN 96 -15.996 9.903 -27.256 1.00 50.43 ATOM 1542 N GLY 97 -17.483 10.942 -28.580 1.00 32.41 ATOM 1543 HN GLY 97 -18.187 10.838 -29.253 1.00 37.61 ATOM 1544 CA GLY 97 -16.984 12.273 -28.248 1.00 32.41 ATOM 1545 HA1 GLY 97 -17.430 12.991 -28.921 1.00 37.61 ATOM 1546 HA2 GLY 97 -15.911 12.291 -28.380 1.00 52.22 ATOM 1547 C GLY 97 -17.316 12.670 -26.810 1.00 63.31 ATOM 1548 O GLY 97 -16.566 13.402 -26.161 1.00 1.30 ATOM 1549 N LYS 98 -18.454 12.185 -26.314 1.00 42.33 ATOM 1550 HN LYS 98 -19.038 11.659 -26.901 1.00 37.61 ATOM 1551 CA LYS 98 -18.863 12.421 -24.924 1.00 72.22 ATOM 1552 HA LYS 98 -18.477 13.388 -24.630 1.00 31.03 ATOM 1553 CB LYS 98 -20.399 12.456 -24.826 1.00 5.22 ATOM 1554 HB1 LYS 98 -20.798 11.592 -25.343 1.00 37.61 ATOM 1555 HB2 LYS 98 -20.756 13.349 -25.321 1.00 42.50 ATOM 1556 CG LYS 98 -20.949 12.451 -23.396 1.00 42.14 ATOM 1557 HG1 LYS 98 -20.677 11.516 -22.924 1.00 37.61 ATOM 1558 HG2 LYS 98 -22.025 12.527 -23.438 1.00 21.21 ATOM 1559 CD LYS 98 -20.412 13.604 -22.547 1.00 53.33 ATOM 1560 HD1 LYS 98 -20.754 14.540 -22.965 1.00 37.61 ATOM 1561 HD2 LYS 98 -19.331 13.577 -22.560 1.00 15.02 ATOM 1562 CE LYS 98 -20.890 13.502 -21.101 1.00 51.50 ATOM 1563 HE1 LYS 98 -20.650 12.517 -20.725 1.00 37.61 ATOM 1564 HE2 LYS 98 -21.961 13.641 -21.076 1.00 43.30 ATOM 1565 NZ LYS 98 -20.250 14.521 -20.227 1.00 14.10 ATOM 1566 HZ1 LYS 98 -20.599 14.427 -19.251 1.00 24.42 ATOM 1567 HZ2 LYS 98 -20.468 15.476 -20.567 1.00 42.40 ATOM 1568 HZ3 LYS 98 -19.217 14.394 -20.224 1.00 24.32 ATOM 1569 C LYS 98 -18.280 11.356 -23.975 1.00 1.35 ATOM 1570 O LYS 98 -17.866 11.672 -22.857 1.00 54.14 ATOM 1571 N PHE 99 -18.232 10.100 -24.422 1.00 25.30 ATOM 1572 HN PHE 99 -18.573 9.900 -25.318 1.00 37.61 ATOM 1573 CA PHE 99 -17.682 9.008 -23.603 1.00 5.52 ATOM 1574 HA PHE 99 -17.255 9.449 -22.713 1.00 63.33 ATOM 1575 CB PHE 99 -18.794 8.037 -23.180 1.00 41.42 ATOM 1576 HB1 PHE 99 -18.351 7.209 -22.641 1.00 37.61 ATOM 1577 HB2 PHE 99 -19.281 7.656 -24.067 1.00 12.42 ATOM 1578 CG PHE 99 -19.853 8.648 -22.297 1.00 35.14 ATOM 1579 CD1 PHE 99 -21.125 8.903 -22.788 1.00 15.31 ATOM 1580 HD1 PHE 99 -21.355 8.663 -23.817 1.00 4.34 ATOM 1581 CD2 PHE 99 -19.575 8.961 -20.975 1.00 31.11 ATOM 1582 HD2 PHE 99 -18.587 8.768 -20.580 1.00 4.43 ATOM 1583 CE1 PHE 99 -22.095 9.457 -21.978 1.00 40.42 ATOM 1584 HE1 PHE 99 -23.082 9.652 -22.373 1.00 22.44 ATOM 1585 CE2 PHE 99 -20.543 9.517 -20.163 1.00 54.23 ATOM 1586 HE2 PHE 99 -20.313 9.758 -19.136 1.00 34.30 ATOM 1587 CZ PHE 99 -21.804 9.765 -20.665 1.00 24.21 ATOM 1588 HZ PHE 99 -22.563 10.199 -20.029 1.00 41.12 ATOM 1589 C PHE 99 -16.571 8.225 -24.331 1.00 14.04 ATOM 1590 O PHE 99 -16.749 7.053 -24.668 1.00 34.20 ATOM 1591 N PRO 100 -15.398 8.845 -24.569 1.00 31.43 ATOM 1592 CA PRO 100 -14.263 8.160 -25.217 1.00 20.21 ATOM 1593 HA PRO 100 -14.546 7.755 -26.180 1.00 33.13 ATOM 1594 CB PRO 100 -13.230 9.285 -25.412 1.00 23.20 ATOM 1595 HB1 PRO 100 -13.319 9.688 -26.411 1.00 37.61 ATOM 1596 HB2 PRO 100 -12.231 8.897 -25.263 1.00 62.25 ATOM 1597 CG PRO 100 -13.582 10.307 -24.382 1.00 42.53 ATOM 1598 HG1 PRO 100 -13.275 11.288 -24.716 1.00 37.61 ATOM 1599 HG2 PRO 100 -13.104 10.064 -23.443 1.00 11.23 ATOM 1600 CD PRO 100 -15.080 10.249 -24.238 1.00 13.44 ATOM 1601 HD1 PRO 100 -15.555 10.927 -24.934 1.00 37.61 ATOM 1602 HD2 PRO 100 -15.373 10.483 -23.225 1.00 31.53 ATOM 1603 C PRO 100 -13.691 7.031 -24.342 1.00 41.45 ATOM 1604 O PRO 100 -13.022 6.118 -24.832 1.00 74.22 ATOM 1605 N GLU 101 -13.975 7.106 -23.043 1.00 10.43 ATOM 1606 HN GLU 101 -14.517 7.859 -22.723 1.00 37.61 ATOM 1607 CA GLU 101 -13.514 6.108 -22.074 1.00 71.20 ATOM 1608 HA GLU 101 -12.513 5.805 -22.346 1.00 34.30 ATOM 1609 CB GLU 101 -13.487 6.731 -20.673 1.00 4.34 ATOM 1610 HB1 GLU 101 -12.996 6.044 -19.997 1.00 37.61 ATOM 1611 HB2 GLU 101 -14.504 6.884 -20.340 1.00 20.03 ATOM 1612 CG GLU 101 -12.754 8.070 -20.609 1.00 24.11 ATOM 1613 HG1 GLU 101 -13.078 8.687 -21.437 1.00 37.61 ATOM 1614 HG2 GLU 101 -11.691 7.887 -20.696 1.00 60.15 ATOM 1615 CD GLU 101 -13.015 8.820 -19.314 1.00 54.31 ATOM 1616 OE1 GLU 101 -12.065 9.030 -18.534 1.00 14.30 ATOM 1617 OE2 GLU 101 -14.178 9.205 -19.071 1.00 64.53 ATOM 1618 C GLU 101 -14.430 4.874 -22.070 1.00 45.10 ATOM 1619 O GLU 101 -13.987 3.759 -21.784 1.00 22.31 ATOM 1620 N VAL 102 -15.706 5.084 -22.394 1.00 4.35 ATOM 1621 HN VAL 102 -15.978 5.980 -22.690 1.00 37.61 ATOM 1622 CA VAL 102 -16.709 4.014 -22.358 1.00 42.30 ATOM 1623 HA VAL 102 -16.355 3.244 -21.687 1.00 61.20 ATOM 1624 CB VAL 102 -18.067 4.539 -21.823 1.00 65.32 ATOM 1625 HB VAL 102 -18.435 5.286 -22.515 1.00 63.25 ATOM 1626 CG1 VAL 102 -19.100 3.416 -21.749 1.00 71.00 ATOM 1627 HG11 VAL 102 -18.741 2.637 -21.091 1.00 31.22 ATOM 1628 HG12 VAL 102 -19.262 3.006 -22.736 1.00 23.30 ATOM 1629 HG13 VAL 102 -20.033 3.806 -21.366 1.00 50.11 ATOM 1630 CG2 VAL 102 -17.892 5.206 -20.457 1.00 61.13 ATOM 1631 HG21 VAL 102 -18.842 5.596 -20.122 1.00 33.01 ATOM 1632 HG22 VAL 102 -17.179 6.015 -20.536 1.00 21.53 ATOM 1633 HG23 VAL 102 -17.531 4.479 -19.742 1.00 32.33 ATOM 1634 C VAL 102 -16.912 3.405 -23.753 1.00 31.45 ATOM 1635 O VAL 102 -17.132 4.122 -24.730 1.00 13.10 ATOM 1636 N VAL 103 -16.847 2.081 -23.848 1.00 21.43 ATOM 1637 HN VAL 103 -16.749 1.544 -23.033 1.00 37.61 ATOM 1638 CA VAL 103 -16.937 1.410 -25.146 1.00 73.10 ATOM 1639 HA VAL 103 -16.458 2.047 -25.878 1.00 3.44 ATOM 1640 CB VAL 103 -16.188 0.053 -25.132 1.00 52.20 ATOM 1641 HB VAL 103 -16.675 -0.590 -24.411 1.00 24.23 ATOM 1642 CG1 VAL 103 -16.260 -0.631 -26.498 1.00 32.51 ATOM 1643 HG11 VAL 103 -15.832 0.016 -27.251 1.00 63.34 ATOM 1644 HG12 VAL 103 -17.291 -0.837 -26.745 1.00 14.24 ATOM 1645 HG13 VAL 103 -15.707 -1.559 -26.467 1.00 74.10 ATOM 1646 CG2 VAL 103 -14.736 0.242 -24.695 1.00 43.11 ATOM 1647 HG21 VAL 103 -14.710 0.662 -23.700 1.00 61.44 ATOM 1648 HG22 VAL 103 -14.234 0.910 -25.380 1.00 52.33 ATOM 1649 HG23 VAL 103 -14.233 -0.715 -24.692 1.00 52.45 ATOM 1650 C VAL 103 -18.396 1.183 -25.574 1.00 2.12 ATOM 1651 O VAL 103 -19.074 0.282 -25.080 1.00 12.03 ATOM 1652 N PHE 104 -18.873 2.012 -26.494 1.00 41.34 ATOM 1653 HN PHE 104 -18.326 2.775 -26.773 1.00 37.61 ATOM 1654 CA PHE 104 -20.195 1.820 -27.099 1.00 43.24 ATOM 1655 HA PHE 104 -20.858 1.431 -26.336 1.00 22.40 ATOM 1656 CB PHE 104 -20.752 3.156 -27.616 1.00 61.01 ATOM 1657 HB1 PHE 104 -21.611 2.960 -28.243 1.00 37.61 ATOM 1658 HB2 PHE 104 -19.992 3.650 -28.206 1.00 71.13 ATOM 1659 CG PHE 104 -21.179 4.107 -26.521 1.00 2.23 ATOM 1660 CD1 PHE 104 -20.254 4.607 -25.616 1.00 15.04 ATOM 1661 HD1 PHE 104 -19.218 4.310 -25.698 1.00 33.41 ATOM 1662 CD2 PHE 104 -22.506 4.503 -26.399 1.00 65.02 ATOM 1663 HD2 PHE 104 -23.240 4.125 -27.096 1.00 53.32 ATOM 1664 CE1 PHE 104 -20.641 5.476 -24.617 1.00 74.43 ATOM 1665 HE1 PHE 104 -19.910 5.855 -23.918 1.00 52.32 ATOM 1666 CE2 PHE 104 -22.895 5.374 -25.398 1.00 73.01 ATOM 1667 HE2 PHE 104 -23.929 5.674 -25.313 1.00 75.22 ATOM 1668 CZ PHE 104 -21.961 5.859 -24.507 1.00 13.32 ATOM 1669 HZ PHE 104 -22.262 6.539 -23.723 1.00 4.34 ATOM 1670 C PHE 104 -20.111 0.806 -28.244 1.00 4.44 ATOM 1671 O PHE 104 -19.144 0.806 -29.009 1.00 25.41 ATOM 1672 N SER 105 -21.120 -0.056 -28.362 1.00 51.41 ATOM 1673 HN SER 105 -21.871 0.001 -27.734 1.00 37.61 ATOM 1674 CA SER 105 -21.130 -1.090 -29.406 1.00 14.22 ATOM 1675 HA SER 105 -20.319 -1.774 -29.201 1.00 44.03 ATOM 1676 CB SER 105 -22.453 -1.869 -29.386 1.00 14.22 ATOM 1677 HB1 SER 105 -23.274 -1.185 -29.537 1.00 37.61 ATOM 1678 HB2 SER 105 -22.567 -2.361 -28.430 1.00 21.54 ATOM 1679 OG SER 105 -22.484 -2.855 -30.411 1.00 63.31 ATOM 1680 HG SER 105 -21.731 -3.454 -30.302 1.00 31.43 ATOM 1681 C SER 105 -20.922 -0.477 -30.796 1.00 2.30 ATOM 1682 O SER 105 -21.791 0.229 -31.313 1.00 70.21 ATOM 1683 N GLY 106 -19.771 -0.762 -31.401 1.00 14.24 ATOM 1684 HN GLY 106 -19.133 -1.355 -30.954 1.00 37.61 ATOM 1685 CA GLY 106 -19.444 -0.198 -32.704 1.00 13.44 ATOM 1686 HA1 GLY 106 -18.612 0.483 -32.587 1.00 37.61 ATOM 1687 HA2 GLY 106 -20.295 0.359 -33.073 1.00 70.22 ATOM 1688 C GLY 106 -19.071 -1.253 -33.735 1.00 5.31 ATOM 1689 O GLY 106 -19.711 -2.302 -33.822 1.00 3.22 ATOM 1690 N SER 107 -18.026 -0.980 -34.506 1.00 23.30 ATOM 1691 HN SER 107 -17.528 -0.151 -34.352 1.00 37.61 ATOM 1692 CA SER 107 -17.585 -1.876 -35.583 1.00 23.34 ATOM 1693 HA SER 107 -18.011 -2.856 -35.405 1.00 0.42 ATOM 1694 CB SER 107 -18.098 -1.344 -36.929 1.00 33.30 ATOM 1695 HB1 SER 107 -19.177 -1.395 -36.947 1.00 37.61 ATOM 1696 HB2 SER 107 -17.697 -1.947 -37.731 1.00 73.11 ATOM 1697 OG SER 107 -17.702 0.005 -37.131 1.00 44.51 ATOM 1698 HG SER 107 -17.498 0.143 -38.064 1.00 63.32 ATOM 1699 C SER 107 -16.052 -2.003 -35.605 1.00 35.34 ATOM 1700 O SER 107 -15.391 -1.774 -34.591 1.00 24.15 ATOM 1701 N ASN 108 -15.499 -2.393 -36.753 1.00 32.12 ATOM 1702 HN ASN 108 -16.082 -2.583 -37.516 1.00 37.61 ATOM 1703 CA ASN 108 -14.046 -2.552 -36.922 1.00 75.14 ATOM 1704 HA ASN 108 -13.740 -3.392 -36.313 1.00 42.42 ATOM 1705 CB ASN 108 -13.734 -2.878 -38.392 1.00 70.40 ATOM 1706 HB1 ASN 108 -14.004 -3.906 -38.591 1.00 37.61 ATOM 1707 HB2 ASN 108 -12.675 -2.753 -38.568 1.00 14.41 ATOM 1708 CG ASN 108 -14.495 -1.983 -39.363 1.00 4.41 ATOM 1709 OD1 ASN 108 -15.587 -2.318 -39.809 1.00 34.30 ATOM 1710 ND2 ASN 108 -13.939 -0.833 -39.684 1.00 64.11 ATOM 1711 HD21 ASN 108 -13.073 -0.607 -39.286 1.00 62.54 ATOM 1712 HD22 ASN 108 -14.418 -0.252 -40.307 1.00 30.20 ATOM 1713 C ASN 108 -13.249 -1.304 -36.474 1.00 54.54 ATOM 1714 O ASN 108 -13.304 -0.256 -37.120 1.00 41.13 ATOM 1715 N LEU 109 -12.504 -1.439 -35.365 1.00 74.35 ATOM 1716 HN LEU 109 -12.534 -2.290 -34.879 1.00 37.61 ATOM 1717 CA LEU 109 -11.650 -0.357 -34.836 1.00 2.11 ATOM 1718 HA LEU 109 -11.248 -0.696 -33.892 1.00 1.11 ATOM 1719 CB LEU 109 -10.472 -0.058 -35.792 1.00 12.34 ATOM 1720 HB1 LEU 109 -9.924 0.784 -35.389 1.00 37.61 ATOM 1721 HB2 LEU 109 -10.881 0.234 -36.750 1.00 30.00 ATOM 1722 CG LEU 109 -9.470 -1.208 -36.025 1.00 14.52 ATOM 1723 HG LEU 109 -9.235 -1.662 -35.072 1.00 72.20 ATOM 1724 CD1 LEU 109 -10.063 -2.297 -36.917 1.00 72.12 ATOM 1725 HD11 LEU 109 -9.325 -3.070 -37.084 1.00 54.00 ATOM 1726 HD12 LEU 109 -10.357 -1.871 -37.866 1.00 32.55 ATOM 1727 HD13 LEU 109 -10.927 -2.727 -36.434 1.00 53.10 ATOM 1728 CD2 LEU 109 -8.167 -0.675 -36.617 1.00 72.35 ATOM 1729 HD21 LEU 109 -8.361 -0.233 -37.584 1.00 34.24 ATOM 1730 HD22 LEU 109 -7.461 -1.485 -36.727 1.00 62.25 ATOM 1731 HD23 LEU 109 -7.752 0.074 -35.957 1.00 61.20 ATOM 1732 C LEU 109 -12.445 0.939 -34.584 1.00 61.53 ATOM 1733 O LEU 109 -13.680 0.942 -34.561 1.00 64.23 ATOM 1734 N GLU 110 -11.730 2.038 -34.354 1.00 24.43 ATOM 1735 HN GLU 110 -10.767 1.956 -34.179 1.00 37.61 ATOM 1736 CA GLU 110 -12.353 3.360 -34.336 1.00 11.51 ATOM 1737 HA GLU 110 -13.227 3.312 -33.698 1.00 41.44 ATOM 1738 CB GLU 110 -11.379 4.412 -33.782 1.00 23.01 ATOM 1739 HB1 GLU 110 -11.872 5.375 -33.777 1.00 37.61 ATOM 1740 HB2 GLU 110 -10.517 4.465 -34.433 1.00 21.30 ATOM 1741 CG GLU 110 -10.888 4.122 -32.365 1.00 10.44 ATOM 1742 HG1 GLU 110 -10.375 3.170 -32.362 1.00 37.61 ATOM 1743 HG2 GLU 110 -11.742 4.068 -31.705 1.00 1.33 ATOM 1744 CD GLU 110 -9.934 5.190 -31.845 1.00 11.20 ATOM 1745 OE1 GLU 110 -8.761 5.201 -32.267 1.00 53.54 ATOM 1746 OE2 GLU 110 -10.355 6.021 -31.009 1.00 32.04 ATOM 1747 C GLU 110 -12.796 3.731 -35.759 1.00 64.54 ATOM 1748 O GLU 110 -12.072 4.417 -36.484 1.00 64.43 ATOM 1749 N HIS 111 -13.978 3.231 -36.148 1.00 10.51 ATOM 1750 HN HIS 111 -14.508 2.737 -35.488 1.00 37.61 ATOM 1751 CA HIS 111 -14.502 3.348 -37.521 1.00 31.40 ATOM 1752 HA HIS 111 -14.008 2.590 -38.113 1.00 34.12 ATOM 1753 CB HIS 111 -16.011 3.055 -37.529 1.00 53.54 ATOM 1754 HB1 HIS 111 -16.177 2.056 -37.150 1.00 37.61 ATOM 1755 HB2 HIS 111 -16.375 3.110 -38.545 1.00 52.30 ATOM 1756 CG HIS 111 -16.825 4.006 -36.698 1.00 31.21 ATOM 1757 ND1 HIS 111 -17.446 5.117 -37.220 1.00 34.10 ATOM 1758 HD1 HIS 111 -17.440 5.389 -38.167 1.00 61.15 ATOM 1759 CD2 HIS 111 -17.124 4.005 -35.374 1.00 41.32 ATOM 1760 HD2 HIS 111 -16.806 3.271 -34.647 1.00 11.32 ATOM 1761 CE1 HIS 111 -18.082 5.759 -36.263 1.00 2.24 ATOM 1762 HE1 HIS 111 -18.650 6.670 -36.384 1.00 60.45 ATOM 1763 NE2 HIS 111 -17.908 5.106 -35.131 1.00 52.33 ATOM 1764 HE2 HIS 111 -18.460 5.230 -34.329 1.00 37.61 ATOM 1765 C HIS 111 -14.220 4.718 -38.169 1.00 13.44 ATOM 1766 O HIS 111 -13.879 4.795 -39.352 1.00 63.04 ATOM 1767 N HIS 112 -14.362 5.791 -37.394 1.00 34.35 ATOM 1768 HN HIS 112 -14.669 5.674 -36.469 1.00 37.61 ATOM 1769 CA HIS 112 -14.058 7.139 -37.881 1.00 71.32 ATOM 1770 HA HIS 112 -13.288 7.052 -38.636 1.00 23.25 ATOM 1771 CB HIS 112 -15.302 7.781 -38.514 1.00 73.10 ATOM 1772 HB1 HIS 112 -16.045 7.951 -37.746 1.00 37.61 ATOM 1773 HB2 HIS 112 -15.707 7.108 -39.254 1.00 62.31 ATOM 1774 CG HIS 112 -15.023 9.094 -39.188 1.00 34.14 ATOM 1775 ND1 HIS 112 -14.984 10.300 -38.517 1.00 42.35 ATOM 1776 HD1 HIS 112 -15.144 10.429 -37.557 1.00 50.04 ATOM 1777 CD2 HIS 112 -14.754 9.385 -40.484 1.00 45.55 ATOM 1778 HD2 HIS 112 -14.705 8.680 -41.304 1.00 50.34 ATOM 1779 CE1 HIS 112 -14.704 11.267 -39.368 1.00 35.21 ATOM 1780 HE1 HIS 112 -14.610 12.315 -39.125 1.00 2.52 ATOM 1781 NE2 HIS 112 -14.559 10.740 -40.563 1.00 54.14 ATOM 1782 HE2 HIS 112 -14.417 11.249 -41.390 1.00 37.61 ATOM 1783 C HIS 112 -13.527 8.020 -36.744 1.00 23.42 ATOM 1784 O HIS 112 -14.301 8.593 -35.973 1.00 72.31 ATOM 1785 N HIS 113 -12.204 8.111 -36.628 1.00 61.23 ATOM 1786 HN HIS 113 -11.635 7.627 -37.265 1.00 37.61 ATOM 1787 CA HIS 113 -11.581 8.924 -35.578 1.00 74.13 ATOM 1788 HA HIS 113 -12.381 9.416 -35.037 1.00 25.41 ATOM 1789 CB HIS 113 -10.804 8.038 -34.584 1.00 41.41 ATOM 1790 HB1 HIS 113 -11.488 7.314 -34.162 1.00 37.61 ATOM 1791 HB2 HIS 113 -10.425 8.662 -33.788 1.00 31.10 ATOM 1792 CG HIS 113 -9.636 7.280 -35.163 1.00 33.31 ATOM 1793 ND1 HIS 113 -8.459 7.074 -34.471 1.00 74.44 ATOM 1794 HD1 HIS 113 -8.265 7.396 -33.563 1.00 24.11 ATOM 1795 CD2 HIS 113 -9.475 6.646 -36.353 1.00 55.44 ATOM 1796 HD2 HIS 113 -10.199 6.590 -37.154 1.00 3.34 ATOM 1797 CE1 HIS 113 -7.634 6.355 -35.203 1.00 65.31 ATOM 1798 HE1 HIS 113 -6.642 6.039 -34.914 1.00 42.14 ATOM 1799 NE2 HIS 113 -8.224 6.083 -36.346 1.00 11.31 ATOM 1800 HE2 HIS 113 -7.849 5.513 -37.052 1.00 37.61 ATOM 1801 C HIS 113 -10.675 10.016 -36.170 1.00 24.25 ATOM 1802 O HIS 113 -9.605 9.737 -36.716 1.00 42.43 ATOM 1803 N HIS 114 -11.144 11.258 -36.088 1.00 53.24 ATOM 1804 HN HIS 114 -12.053 11.395 -35.741 1.00 37.61 ATOM 1805 CA HIS 114 -10.371 12.429 -36.521 1.00 42.50 ATOM 1806 HA HIS 114 -9.431 12.083 -36.929 1.00 11.11 ATOM 1807 CB HIS 114 -11.154 13.172 -37.620 1.00 52.43 ATOM 1808 HB1 HIS 114 -12.128 13.441 -37.234 1.00 37.61 ATOM 1809 HB2 HIS 114 -11.285 12.509 -38.462 1.00 55.24 ATOM 1810 CG HIS 114 -10.498 14.424 -38.128 1.00 53.33 ATOM 1811 ND1 HIS 114 -9.437 14.419 -39.005 1.00 34.13 ATOM 1812 HD1 HIS 114 -9.000 13.621 -39.372 1.00 54.34 ATOM 1813 CD2 HIS 114 -10.763 15.730 -37.876 1.00 23.01 ATOM 1814 HD2 HIS 114 -11.536 16.115 -37.225 1.00 12.13 ATOM 1815 CE1 HIS 114 -9.079 15.657 -39.269 1.00 71.33 ATOM 1816 HE1 HIS 114 -8.270 15.954 -39.920 1.00 54.24 ATOM 1817 NE2 HIS 114 -9.867 16.472 -38.602 1.00 40.03 ATOM 1818 HE2 HIS 114 -9.929 17.440 -38.753 1.00 37.61 ATOM 1819 C HIS 114 -10.080 13.357 -35.326 1.00 45.31 ATOM 1820 O HIS 114 -9.502 14.432 -35.481 1.00 54.55 ATOM 1821 N HIS 115 -10.468 12.919 -34.128 1.00 10.31 ATOM 1822 HN HIS 115 -10.851 12.020 -34.053 1.00 37.61 ATOM 1823 CA HIS 115 -10.301 13.724 -32.914 1.00 2.34 ATOM 1824 HA HIS 115 -9.291 14.108 -32.904 1.00 72.44 ATOM 1825 CB HIS 115 -11.287 14.905 -32.915 1.00 20.13 ATOM 1826 HB1 HIS 115 -11.194 15.443 -33.848 1.00 37.61 ATOM 1827 HB2 HIS 115 -11.046 15.571 -32.099 1.00 42.53 ATOM 1828 CG HIS 115 -12.722 14.492 -32.762 1.00 24.10 ATOM 1829 ND1 HIS 115 -13.364 14.442 -31.545 1.00 70.43 ATOM 1830 HD1 HIS 115 -12.973 14.680 -30.674 1.00 12.15 ATOM 1831 CD2 HIS 115 -13.641 14.107 -33.679 1.00 62.31 ATOM 1832 HD2 HIS 115 -13.489 14.035 -34.747 1.00 62.34 ATOM 1833 CE1 HIS 115 -14.604 14.045 -31.716 1.00 61.32 ATOM 1834 HE1 HIS 115 -15.340 13.921 -30.936 1.00 73.23 ATOM 1835 NE2 HIS 115 -14.803 13.834 -33.001 1.00 2.32 ATOM 1836 HE2 HIS 115 -15.687 13.733 -33.417 1.00 37.61 ATOM 1837 C HIS 115 -10.523 12.881 -31.648 1.00 45.42 ATOM 1838 O HIS 115 -10.734 11.670 -31.718 1.00 72.34 ATOM 1839 N HIS 116 -10.476 13.541 -30.496 1.00 2.21 ATOM 1840 HN HIS 116 -10.209 14.486 -30.501 1.00 37.61 ATOM 1841 HA HIS 116 -11.249 11.942 -29.420 1.00 11.25 ATOM 1842 CB HIS 116 -9.525 12.696 -28.384 1.00 4.52 ATOM 1843 HB1 HIS 116 -9.033 13.649 -28.246 1.00 37.61 ATOM 1844 HB2 HIS 116 -8.862 12.032 -28.919 1.00 72.32 ATOM 1845 CG HIS 116 -9.771 12.104 -27.025 1.00 73.51 ATOM 1846 ND1 HIS 116 -10.169 12.854 -25.942 1.00 3.53 ATOM 1847 HD1 HIS 116 -10.339 13.824 -25.948 1.00 74.23 ATOM 1848 CD2 HIS 116 -9.668 10.830 -26.574 1.00 4.13 ATOM 1849 HD2 HIS 116 -9.372 9.966 -27.154 1.00 3.23 ATOM 1850 CE1 HIS 116 -10.296 12.077 -24.887 1.00 43.20 ATOM 1851 HE1 HIS 116 -10.588 12.398 -23.899 1.00 54.24 ATOM 1852 NE2 HIS 116 -10.001 10.843 -25.240 1.00 55.41 ATOM 1853 HE2 HIS 116 -9.814 10.116 -24.606 1.00 37.61 ATOM 1854 CA HIS 116 -10.802 12.907 -29.212 1.00 35.42 ATOM 1855 C HIS 116 -11.816 13.765 -28.428 1.00 4.21 ATOM 1856 OT1 HIS 116 -13.035 13.534 -28.572 1.00 37.61 ATOM 1857 OT2 HIS 116 -11.384 14.685 -27.694 1.00 37.61 ATOM 1858 OH2 TIP3 1 -39.037 -8.492 -22.538 1.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -39.883 -8.285 -22.087 1.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -39.137 -9.431 -22.806 1.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -34.087 -15.585 -18.790 1.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -34.168 -16.533 -18.925 1.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -35.012 -15.250 -18.876 1.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -35.640 -11.888 -15.906 1.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -35.772 -11.023 -16.337 1.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -36.090 -11.796 -15.055 1.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -39.516 -11.203 -22.739 1.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -38.668 -11.531 -23.122 1.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -40.154 -11.894 -22.953 1.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -34.782 -12.224 -23.012 1.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -34.586 -12.356 -22.050 1.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -34.218 -11.480 -23.268 1.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -34.285 -12.345 -20.360 1.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -33.864 -12.806 -19.614 1.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -34.936 -11.749 -19.931 1.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -39.239 -9.723 -26.564 1.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -40.131 -10.072 -26.613 1.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -39.240 -8.972 -27.198 1.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -39.658 -10.317 -16.328 1.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -40.568 -10.137 -16.669 1.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -39.464 -11.215 -16.632 1.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -41.388 -8.023 -21.249 1.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -41.749 -8.940 -21.195 1.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -41.440 -7.692 -20.318 1.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -39.853 -10.608 -20.072 1.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -39.659 -10.795 -21.015 1.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -40.826 -10.612 -20.026 1.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -38.521 -8.826 -18.319 1.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -39.056 -9.226 -17.602 1.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -38.795 -9.321 -19.119 1.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -39.229 -8.001 -31.095 1.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -39.194 -8.772 -31.673 1.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -38.280 -7.746 -30.973 1.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -33.805 -13.018 -17.686 1.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -34.499 -12.715 -17.057 1.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -33.987 -13.970 -17.802 1.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -36.672 -14.743 -18.689 1.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -37.072 -13.860 -18.845 1.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -37.345 -15.219 -18.198 1.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -36.334 -9.286 -16.678 1.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -36.542 -8.909 -15.812 1.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -37.086 -9.010 -17.245 1.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -31.561 -10.764 -2.502 1.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -32.156 -10.416 -3.206 1.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -32.147 -10.921 -1.755 1.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -36.040 -8.766 -8.525 1.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -36.017 -9.343 -7.725 1.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -36.985 -8.778 -8.802 1.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -31.507 -1.248 -34.837 1.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -31.513 -0.652 -34.057 1.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -32.444 -1.497 -34.952 1.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -37.913 1.764 -36.837 1.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -37.728 2.735 -36.897 1.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -37.092 1.346 -37.173 1.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -33.218 1.073 -36.413 1.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -32.853 1.162 -37.320 1.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -32.782 1.795 -35.907 1.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -37.480 -1.380 -36.461 1.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -36.805 -0.811 -36.896 1.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -38.329 -0.942 -36.671 1.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -41.884 5.512 -37.220 1.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -41.009 5.763 -36.865 1.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -42.473 6.232 -36.921 1.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -39.058 -1.543 -33.688 1.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -39.380 -2.260 -34.269 1.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -38.124 -1.782 -33.513 1.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -40.345 -0.834 -36.608 1.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -40.755 -0.455 -35.818 1.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -40.370 -1.795 -36.453 1.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -35.471 1.792 -39.872 1.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -34.642 1.844 -40.358 1.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -36.132 2.194 -40.480 1.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -43.394 6.800 -33.517 1.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -42.677 6.267 -33.113 1.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -43.009 7.124 -34.356 1.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -40.522 1.680 -37.788 1.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -40.622 0.716 -37.665 1.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -39.586 1.852 -37.551 1.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -37.050 3.051 -41.749 1.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -38.030 3.037 -41.650 1.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -36.886 3.788 -42.338 1.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -41.203 3.831 -39.458 1.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -41.529 4.475 -38.801 1.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -41.051 3.016 -38.939 1.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -39.525 6.307 -35.928 1.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -39.395 7.002 -35.257 1.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -39.513 5.470 -35.411 1.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -36.469 -2.424 -33.981 1.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -36.783 -2.131 -34.859 1.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -35.521 -2.201 -33.986 1.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -40.203 8.532 -37.442 1.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -39.593 8.804 -38.171 1.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -39.809 7.703 -37.102 1.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -41.382 5.478 -32.175 1.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -41.483 4.727 -31.568 1.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -40.428 5.480 -32.389 1.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -39.733 3.877 -34.593 1.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -40.655 3.683 -34.883 1.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -39.304 2.999 -34.578 1.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -35.625 0.389 -37.569 1.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -35.586 0.779 -38.479 1.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -34.810 0.723 -37.136 1.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -40.562 -0.592 -31.551 1.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -40.022 -0.932 -32.293 1.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -40.983 -1.399 -31.177 1.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -39.368 -3.360 -35.826 1.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -39.354 -4.247 -36.200 1.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -38.547 -2.945 -36.157 1.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -35.803 10.242 -39.847 1.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -35.299 10.966 -39.417 1.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -35.116 9.659 -40.203 1.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -37.176 8.160 -34.826 1.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -38.053 8.458 -34.510 1.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -36.874 8.898 -35.411 1.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -31.783 0.968 -41.733 1.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -30.901 0.563 -41.559 1.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -31.938 0.798 -42.666 1.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -38.605 5.223 -32.478 1.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -37.728 4.835 -32.228 1.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -38.867 4.722 -33.278 1.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -34.220 -1.270 -35.309 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -34.584 -1.597 -36.140 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -33.903 -0.366 -35.529 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -42.499 7.930 -35.899 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -41.696 8.166 -36.399 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -42.913 8.795 -35.688 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -39.776 3.397 -41.755 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -40.459 2.981 -42.286 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -40.243 3.662 -40.929 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -39.676 9.138 -34.602 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -39.762 9.900 -34.015 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -39.889 9.490 -35.482 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -40.199 -3.018 -25.242 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -39.290 -3.376 -25.193 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -40.427 -3.084 -26.187 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -39.877 1.381 -24.473 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -40.391 1.405 -23.636 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -39.112 0.798 -24.268 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -46.938 -5.362 -22.767 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -46.284 -4.686 -23.055 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -47.651 -4.849 -22.383 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -37.217 -6.112 -27.928 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -36.802 -6.364 -27.072 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -38.053 -6.622 -27.944 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -42.486 -1.515 -24.887 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -41.617 -1.942 -24.735 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -42.923 -2.098 -25.546 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -46.255 -8.581 -20.319 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -46.747 -8.851 -21.106 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -45.510 -8.045 -20.677 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -37.551 0.055 -23.948 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -37.057 -0.770 -24.105 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -37.052 0.731 -24.453 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -41.404 1.921 -22.260 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -41.984 2.595 -22.674 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -41.356 2.195 -21.318 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -37.772 -6.298 -23.582 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -37.183 -6.621 -24.302 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -38.232 -7.106 -23.270 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -44.123 -7.286 -21.440 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -43.182 -7.524 -21.518 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -44.110 -6.374 -21.063 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -39.017 -6.210 -18.960 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -38.672 -7.096 -18.719 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -38.629 -5.611 -18.293 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -42.661 -10.390 -20.905 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -43.313 -10.420 -21.642 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -43.217 -10.361 -20.098 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -40.305 -3.139 -28.003 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -40.564 -2.185 -28.097 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -39.325 -3.130 -28.089 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -41.328 -3.032 -30.633 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -40.888 -3.862 -30.897 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -41.226 -3.006 -29.666 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -41.850 0.811 -26.250 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -41.061 1.022 -25.703 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -42.280 0.070 -25.768 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -39.605 4.083 -24.441 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -39.620 4.079 -23.470 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -39.727 3.140 -24.686 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -45.322 -3.317 -23.675 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -44.460 -2.894 -23.795 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -45.709 -3.327 -24.572 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -40.897 2.665 -19.724 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -40.738 1.820 -19.247 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -41.273 3.257 -19.040 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -38.650 6.214 -27.575 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -39.592 5.937 -27.547 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -38.228 5.561 -28.178 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -43.909 4.380 -20.589 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -43.348 5.120 -20.291 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -43.656 4.249 -21.525 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -40.106 3.912 -29.941 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -39.153 4.027 -29.759 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -40.134 3.225 -30.644 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -38.650 7.437 -30.781 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -38.617 6.621 -31.328 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -39.585 7.486 -30.482 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -37.404 4.454 -29.244 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -37.114 4.356 -30.185 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -36.584 4.302 -28.733 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -44.678 -10.241 -22.818 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -45.136 -10.922 -23.320 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -45.069 -9.402 -23.138 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -41.875 -9.524 -17.648 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -42.765 -9.743 -17.975 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -41.732 -8.601 -17.948 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -43.708 -4.818 -20.432 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -43.552 -4.830 -19.458 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -43.996 -3.897 -20.616 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -46.377 -3.758 -26.227 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -47.267 -3.670 -26.579 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -46.259 -4.734 -26.108 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -41.190 -5.604 -28.631 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -40.921 -4.739 -28.239 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -40.895 -5.542 -29.562 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -40.648 -3.984 -16.450 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -39.744 -3.909 -16.806 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -40.613 -4.793 -15.889 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -45.767 -6.373 -25.882 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -44.902 -6.442 -26.338 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -45.712 -7.024 -25.159 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -41.040 -0.614 -28.476 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -41.358 -0.019 -27.762 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -41.086 -0.074 -29.275 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -39.822 -5.326 -31.021 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -38.924 -4.971 -31.164 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -39.731 -6.286 -31.202 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -44.566 3.378 -18.166 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -45.522 3.443 -18.117 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -44.352 3.662 -19.087 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -37.613 -3.415 -28.483 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -37.448 -4.324 -28.150 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -37.515 -3.493 -29.443 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -40.127 2.034 -31.926 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -39.994 1.956 -32.888 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -40.389 1.124 -31.650 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -44.021 -1.520 -18.214 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -44.657 -1.750 -17.534 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -43.174 -1.421 -17.727 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -34.484 -1.562 -29.276 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -34.391 -2.481 -29.600 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -35.154 -1.167 -29.875 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -42.473 3.594 -25.850 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -42.055 4.099 -26.567 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -42.365 2.660 -26.118 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -39.672 4.586 -21.501 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -39.322 5.074 -20.712 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -40.102 3.799 -21.115 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -41.982 3.099 -35.917 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -42.243 3.911 -36.392 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -41.632 2.516 -36.618 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -39.484 -7.671 -28.333 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -39.459 -7.880 -29.290 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -40.178 -6.977 -28.259 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -45.926 7.696 -33.204 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -45.024 7.317 -33.328 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -46.507 6.935 -33.238 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -43.688 -3.377 -26.444 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -43.464 -4.264 -26.770 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -44.664 -3.345 -26.493 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -43.645 -6.028 -27.583 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -42.701 -5.994 -27.858 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -44.132 -5.948 -28.410 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -44.459 9.972 -32.882 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -45.115 9.246 -32.994 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -43.862 9.646 -32.182 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -40.462 2.613 -15.706 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -39.598 2.829 -15.319 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -40.630 1.693 -15.417 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -39.075 1.181 -34.421 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -38.991 0.235 -34.180 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -38.660 1.242 -35.309 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -43.726 -2.135 -20.832 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -43.873 -1.822 -19.906 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -43.899 -1.355 -21.375 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -41.673 -1.439 -16.758 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -41.331 -0.928 -15.989 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -41.335 -2.351 -16.608 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -45.733 -5.459 -16.984 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -46.463 -4.892 -16.728 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -46.167 -6.291 -17.279 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -47.196 -7.611 -17.907 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -46.876 -7.905 -18.787 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -48.042 -8.055 -17.804 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -40.393 -0.454 -21.173 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -40.751 0.322 -21.650 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -40.414 -0.187 -20.231 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -44.403 -9.976 -18.791 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -44.873 -10.207 -17.981 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -45.073 -9.501 -19.328 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -43.122 -4.992 -17.761 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -42.546 -4.558 -17.105 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -43.971 -5.138 -17.284 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -41.593 -7.013 -18.754 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -40.693 -6.614 -18.732 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -42.168 -6.323 -18.351 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -40.222 -6.295 -15.072 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -39.656 -7.069 -14.927 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -40.700 -6.183 -14.221 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -38.476 -8.720 -14.439 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -37.816 -9.328 -14.041 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -38.974 -9.289 -15.070 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -37.085 -4.244 -31.398 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -37.071 -3.747 -32.235 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -36.173 -4.139 -31.045 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -36.871 -6.894 -30.544 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -36.815 -6.721 -29.582 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -36.839 -6.008 -30.947 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -37.667 -4.050 -25.234 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -37.696 -4.848 -24.668 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -36.929 -3.530 -24.879 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -36.193 -7.214 -25.597 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -35.217 -7.106 -25.501 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -36.324 -8.187 -25.618 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -34.578 -4.175 -30.216 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -33.735 -4.401 -30.690 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -34.640 -4.844 -29.521 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -42.147 6.147 -19.260 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -41.734 6.871 -18.742 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -42.106 5.375 -18.657 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -39.226 5.233 -16.740 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -40.031 4.684 -16.755 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -38.587 4.702 -16.219 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -36.027 -10.637 -19.123 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -35.929 -10.103 -18.313 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -36.212 -9.972 -19.830 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -38.258 6.764 -22.652 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -38.894 6.666 -23.393 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -38.441 5.999 -22.080 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -37.823 9.348 -23.064 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -38.384 9.928 -22.506 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -37.994 8.439 -22.712 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -42.820 4.198 -23.174 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -42.502 5.115 -23.164 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -42.830 3.958 -24.131 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -36.605 -8.983 -21.211 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -37.487 -8.726 -21.544 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -36.025 -8.877 -21.973 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -33.465 -6.961 -25.418 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -32.909 -7.693 -25.072 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -32.886 -6.496 -26.026 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -45.873 -7.778 -23.423 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -46.510 -7.031 -23.354 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -45.147 -7.523 -22.812 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -36.753 -9.918 -25.510 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -36.897 -10.677 -24.910 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -37.618 -9.815 -25.972 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -41.399 7.417 -30.209 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -41.839 8.259 -30.464 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -41.580 6.817 -30.959 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -34.908 7.519 -31.505 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -35.007 7.303 -30.572 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -34.834 6.636 -31.949 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -38.109 -12.370 -18.803 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -38.804 -11.838 -19.237 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -37.312 -11.799 -18.842 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -34.603 -2.294 -5.989 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -35.042 -1.790 -5.299 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -33.899 -2.787 -5.515 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -30.945 1.555 -8.770 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -31.121 1.768 -9.710 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -31.823 1.662 -8.331 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -27.175 -9.548 -4.161 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -28.042 -9.987 -4.032 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -27.239 -9.162 -5.072 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -41.073 -2.969 -9.888 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -40.097 -2.894 -9.920 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -41.290 -2.836 -8.934 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -31.691 -5.717 1.090 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -31.539 -5.091 0.352 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -31.825 -5.154 1.854 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -41.270 1.232 -8.753 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -41.305 2.103 -9.154 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -40.687 0.717 -9.352 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -35.423 -6.629 -10.087 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -35.703 -7.424 -9.583 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -34.929 -6.108 -9.448 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -33.183 1.803 -7.337 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -33.634 0.967 -7.613 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -33.857 2.285 -6.856 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -39.661 -0.003 -10.631 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -39.212 -0.793 -10.258 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -40.166 -0.358 -11.391 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -40.879 -1.648 -12.470 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -40.264 -2.377 -12.709 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -41.395 -2.013 -11.730 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -31.267 -4.213 -1.172 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -31.546 -4.770 -1.930 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -31.693 -3.344 -1.345 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -34.469 -0.446 -8.064 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -34.547 -1.225 -7.475 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -34.896 -0.731 -8.901 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -38.324 -2.264 -9.835 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -37.818 -2.119 -9.027 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -37.638 -2.470 -10.513 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -38.992 -7.462 -12.002 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -38.348 -6.720 -11.986 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -38.810 -7.919 -12.850 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -41.957 3.972 -17.543 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -41.590 3.408 -16.824 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -42.916 3.738 -17.566 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -40.784 -10.215 -9.019 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -41.654 -9.933 -9.319 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -40.953 -11.023 -8.524 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -42.814 -4.940 -10.616 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -43.584 -4.770 -10.069 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -42.173 -4.240 -10.354 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -42.335 -0.106 -6.633 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -41.942 0.388 -7.391 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -42.914 0.532 -6.212 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -39.293 -3.867 -12.834 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -40.029 -4.514 -12.897 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -38.565 -4.377 -12.429 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -37.550 -1.960 -13.807 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -38.259 -2.628 -13.773 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -37.024 -2.132 -12.997 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -40.498 -0.040 -14.704 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -40.734 -0.564 -13.908 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -39.543 0.138 -14.599 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -35.284 4.177 -13.576 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -34.447 3.981 -13.118 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -35.586 4.993 -13.175 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -37.789 0.720 -14.395 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -37.536 0.928 -13.469 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -37.582 -0.238 -14.485 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -32.636 4.624 -12.224 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -32.247 5.049 -11.421 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -32.165 5.034 -12.957 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -37.224 0.786 -11.704 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -38.108 0.688 -11.300 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -36.690 0.072 -11.288 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -41.180 -5.863 -12.572 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -40.632 -6.525 -12.106 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -41.868 -5.612 -11.913 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -41.587 -2.640 -7.234 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -41.877 -1.716 -7.046 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -41.487 -3.035 -6.364 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -37.658 3.431 -15.170 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -37.642 2.459 -15.037 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -36.848 3.744 -14.721 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -40.424 0.233 -18.528 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -41.052 -0.260 -17.955 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -39.542 -0.028 -18.189 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -32.457 -1.908 -2.143 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -32.625 -2.428 -2.956 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -32.658 -0.982 -2.409 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -35.498 -10.475 -6.470 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -34.647 -10.907 -6.684 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -35.421 -10.251 -5.535 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -37.170 -5.404 -11.809 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -36.572 -5.934 -11.234 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -36.827 -4.480 -11.719 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -36.502 -10.345 -13.441 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -35.570 -10.133 -13.330 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -36.787 -10.647 -12.544 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -33.039 -9.900 -4.623 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -32.946 -10.505 -5.386 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -32.936 -9.014 -5.013 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -38.493 -8.885 -9.714 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -39.340 -9.280 -9.406 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -38.755 -8.326 -10.482 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -33.907 11.993 -38.858 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -33.727 12.858 -39.281 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -33.993 12.209 -37.905 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -36.473 10.159 -36.475 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -37.061 10.856 -36.852 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -35.685 10.194 -37.025 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -35.161 15.062 -36.419 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -34.735 14.196 -36.269 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -35.591 14.964 -37.298 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -38.158 15.937 -38.006 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -38.276 16.866 -38.295 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -38.464 15.936 -37.079 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -35.190 13.174 -33.672 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -34.537 13.277 -32.945 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -35.563 14.072 -33.780 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -41.954 10.684 -37.789 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -41.431 9.862 -37.821 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -42.619 10.520 -37.094 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -38.782 13.525 -34.526 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -39.316 13.155 -35.264 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -38.267 12.755 -34.193 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -38.640 16.140 -35.275 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -39.044 16.493 -34.456 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -38.574 15.173 -35.106 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -36.758 12.737 -40.777 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -36.598 11.799 -40.584 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -36.610 12.811 -41.746 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -33.408 17.869 -34.076 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -33.753 17.999 -34.990 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -33.741 18.647 -33.584 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -38.058 12.019 -37.662 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -38.044 12.586 -38.444 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -38.911 12.230 -37.227 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -37.285 18.497 -35.749 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -37.751 17.633 -35.703 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -37.136 18.733 -34.813 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -39.740 14.404 -32.129 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -39.408 13.981 -32.951 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -39.515 15.356 -32.246 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -38.218 18.671 -38.327 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -38.306 19.563 -38.665 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -37.857 18.788 -37.424 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -42.551 13.129 -34.784 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -42.450 14.099 -34.653 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -42.675 12.781 -33.871 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -40.451 12.449 -36.384 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -41.173 12.789 -35.810 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -40.924 11.942 -37.081 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -43.314 10.508 -35.337 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -43.803 10.297 -34.511 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -43.125 11.468 -35.261 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -42.998 12.274 -32.263 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -43.812 11.738 -32.324 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -43.208 12.959 -31.580 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -34.696 19.741 -32.418 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -34.127 19.436 -31.676 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -35.273 20.413 -32.007 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -34.682 17.827 -36.450 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -35.590 18.185 -36.408 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -34.807 16.886 -36.673 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -34.129 12.452 -36.130 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -34.589 12.595 -35.276 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -33.792 11.533 -36.069 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -36.176 12.754 -43.463 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -36.020 12.179 -44.216 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -35.910 13.643 -43.781 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -36.014 14.635 -38.975 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -36.295 13.996 -39.672 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -36.846 15.116 -38.743 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -38.322 8.968 -39.382 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -37.556 9.575 -39.354 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -38.205 8.481 -40.201 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -37.396 11.466 -33.411 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -36.524 11.896 -33.516 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -37.198 10.631 -32.936 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -39.179 16.207 -26.940 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -38.329 16.118 -27.421 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -38.923 16.602 -26.074 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -41.016 18.867 -24.962 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -41.322 19.040 -24.062 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -40.167 18.401 -24.838 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -36.699 18.688 -26.263 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -36.542 17.720 -26.243 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -36.808 18.892 -27.213 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -42.636 13.434 -27.794 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -43.045 13.661 -26.929 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -41.674 13.555 -27.643 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -33.284 21.226 -25.792 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -32.445 21.670 -25.979 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -33.712 21.143 -26.665 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -42.031 9.013 -23.561 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -41.463 8.908 -24.344 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -41.841 8.220 -23.016 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -37.001 18.578 -29.041 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -37.919 18.669 -29.387 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -36.848 17.612 -29.039 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -33.883 20.522 -20.342 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -33.996 20.483 -21.308 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -33.717 19.590 -20.082 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -42.690 16.945 -29.755 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -41.854 16.424 -29.741 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -42.628 17.506 -28.965 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -41.900 17.898 -32.191 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -42.260 17.538 -31.349 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -42.334 18.751 -32.286 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -38.670 16.361 -22.019 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -38.115 16.376 -21.209 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -39.360 15.695 -21.822 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -37.494 8.502 -28.400 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -37.997 7.724 -28.070 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -37.572 8.431 -29.368 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -31.651 21.890 -29.326 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -32.590 21.698 -29.102 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -31.657 22.814 -29.604 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -37.400 12.545 -19.635 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -36.694 12.689 -18.981 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -36.969 12.737 -20.500 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -38.809 5.969 -19.391 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -38.718 6.944 -19.325 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -38.903 5.674 -18.465 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -39.325 17.029 -32.748 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -40.092 17.587 -32.499 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -38.551 17.632 -32.675 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -42.409 9.906 -30.911 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -42.268 10.172 -29.976 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -42.285 10.737 -31.414 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -43.399 14.148 -30.322 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -43.413 15.114 -30.233 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -43.157 13.828 -29.424 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -40.743 14.683 -24.120 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -40.375 15.551 -24.339 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -40.864 14.713 -23.141 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -40.595 9.543 -26.102 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -41.008 9.755 -26.962 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -40.467 10.417 -25.679 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -40.180 12.267 -30.325 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -39.287 11.891 -30.209 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -40.080 12.909 -31.055 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -40.659 12.055 -24.874 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -41.537 11.810 -24.519 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -40.524 12.972 -24.555 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -43.249 13.881 -25.154 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -43.374 13.069 -24.629 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -42.448 14.288 -24.777 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -40.277 15.793 -29.738 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -40.103 15.012 -30.301 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -39.865 15.573 -28.887 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -36.116 19.142 -23.623 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -35.204 19.437 -23.423 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -36.158 19.138 -24.604 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -39.538 18.479 -29.964 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -40.123 18.617 -29.190 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -39.689 17.546 -30.209 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -33.371 18.021 -19.377 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -33.041 18.114 -18.459 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -34.003 17.275 -19.327 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -34.135 20.999 -28.587 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -33.867 20.187 -29.076 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -34.996 21.234 -28.980 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -38.723 17.375 -24.521 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -38.553 16.968 -23.641 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -37.972 17.985 -24.649 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -38.219 20.170 -22.239 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -37.455 19.694 -22.638 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -38.056 21.091 -22.453 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -36.322 20.835 -30.426 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -36.444 19.971 -29.968 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -37.212 21.196 -30.486 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -41.048 18.183 -27.662 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -40.504 17.402 -27.439 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -41.232 18.600 -26.792 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -39.039 10.768 -20.984 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -39.900 11.200 -21.056 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -38.496 11.402 -20.463 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -39.964 13.586 -27.175 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -39.730 14.434 -26.753 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -39.965 12.943 -26.440 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -43.112 11.502 -23.645 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -43.754 11.547 -22.930 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -42.795 10.563 -23.627 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -37.713 11.062 -29.792 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -37.643 10.446 -29.044 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -37.395 10.541 -30.562 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -40.385 18.570 -21.995 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -39.821 17.775 -22.052 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -39.741 19.316 -22.011 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -41.900 15.507 -33.651 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -41.347 15.017 -33.023 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -41.948 16.405 -33.275 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -36.883 18.218 -33.020 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -36.112 18.769 -32.771 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -36.497 17.331 -33.196 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -42.258 17.155 -20.579 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -41.692 17.776 -21.089 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -42.767 17.723 -19.997 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -39.330 14.422 -19.345 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -38.749 15.201 -19.250 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -38.715 13.661 -19.312 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -41.548 6.643 -21.976 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -40.824 5.990 -21.949 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -41.867 6.679 -21.051 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -40.938 14.929 -21.438 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -40.516 14.592 -20.614 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -41.573 15.614 -21.118 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -38.314 8.654 -19.270 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -37.352 8.680 -19.483 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -38.710 9.310 -19.878 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -32.677 21.586 -18.151 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -33.116 21.251 -18.967 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -33.278 22.256 -17.821 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -37.505 16.531 -19.551 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -37.598 17.472 -19.356 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -36.573 16.328 -19.312 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -35.179 13.110 -17.950 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -35.610 12.294 -17.588 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -34.684 13.468 -17.184 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -33.390 10.439 -16.100 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -33.609 10.954 -16.884 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -32.925 11.078 -15.514 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -39.767 6.722 -24.913 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -39.825 5.732 -24.935 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -40.506 7.016 -25.465 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -41.241 5.440 -28.051 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -40.933 4.777 -28.712 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -41.500 6.209 -28.594 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -36.958 9.307 -31.722 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -37.689 8.671 -31.553 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -36.160 8.739 -31.778 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -41.684 10.954 -28.472 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -42.235 11.691 -28.140 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -41.055 11.391 -29.091 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -40.738 7.580 -17.350 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -40.294 8.372 -17.029 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -40.187 6.846 -17.023 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -37.943 8.850 -16.606 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -37.717 7.939 -16.400 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -38.134 8.839 -17.572 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -34.845 16.272 -15.875 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -35.429 16.430 -15.123 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -34.476 15.373 -15.710 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -36.073 10.880 -16.711 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -35.366 10.373 -16.278 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -36.852 10.284 -16.672 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -31.518 8.796 -14.934 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -32.269 9.153 -15.451 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -30.809 9.456 -15.058 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -17.850 -5.658 -33.275 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -17.374 -5.727 -34.130 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -18.535 -6.350 -33.326 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -17.021 -10.539 -44.726 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -17.069 -10.932 -45.601 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -16.108 -10.180 -44.671 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -14.765 -9.509 -41.794 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -14.527 -9.632 -42.733 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -15.384 -10.245 -41.606 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -16.784 -11.456 -41.486 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -17.444 -10.903 -41.954 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -17.027 -12.360 -41.716 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -18.391 -9.501 -42.649 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -18.804 -8.665 -42.952 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -17.975 -9.871 -43.463 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -19.617 -15.921 -23.798 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -18.822 -16.384 -24.078 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -19.856 -16.349 -22.955 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -28.570 -14.807 -21.134 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -29.370 -14.335 -21.455 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -28.926 -15.547 -20.623 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -24.278 -12.388 -25.439 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -23.988 -13.036 -26.115 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -23.862 -12.698 -24.623 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -24.407 -14.271 -21.764 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -23.628 -13.878 -21.343 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -25.154 -13.983 -21.194 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -22.468 -16.513 -21.581 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -22.678 -16.459 -20.629 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -23.131 -15.944 -22.001 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -26.308 -13.143 -20.149 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -27.164 -13.609 -20.208 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -26.553 -12.219 -19.916 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -23.014 -14.376 -26.964 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -22.245 -14.222 -26.361 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -22.978 -15.320 -27.153 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -20.982 -14.023 -25.207 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -20.444 -13.257 -24.987 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -20.552 -14.766 -24.721 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -14.631 -16.482 -18.840 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -14.468 -16.828 -17.930 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -15.236 -15.721 -18.701 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -30.975 -13.531 -24.630 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -30.249 -14.125 -24.929 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -31.028 -13.689 -23.659 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -19.840 -13.190 -18.455 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -18.953 -12.785 -18.357 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -20.331 -12.556 -19.034 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -22.921 -16.281 -18.848 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -23.265 -15.565 -18.266 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -23.290 -17.087 -18.471 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -26.914 -11.737 -24.690 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -27.025 -12.497 -24.081 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -26.058 -11.912 -25.131 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -31.287 -12.005 -17.716 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -31.416 -11.250 -17.133 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -32.186 -12.404 -17.794 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -33.566 -13.004 -25.430 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -32.632 -13.270 -25.295 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -33.982 -13.153 -24.566 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -21.382 -8.831 -26.836 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -22.302 -9.138 -26.683 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -21.093 -9.332 -27.626 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -26.322 -9.064 -25.458 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -26.668 -9.913 -25.122 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -27.107 -8.577 -25.722 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -19.907 -7.900 -30.590 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -19.725 -7.399 -29.776 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -20.177 -8.783 -30.267 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -20.899 -10.131 -29.280 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -21.873 -10.038 -29.411 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -20.746 -11.081 -29.312 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -30.957 -13.652 -21.876 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -31.067 -12.700 -21.674 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -31.313 -14.111 -21.080 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -19.327 -21.538 -19.665 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -19.398 -22.138 -18.915 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -19.759 -22.005 -20.387 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -23.644 -12.865 -19.324 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -23.605 -13.385 -18.493 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -24.593 -12.878 -19.566 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -21.360 -11.399 -19.717 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -22.237 -11.840 -19.687 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -21.542 -10.480 -19.434 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -17.302 -15.163 -16.311 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -17.661 -16.004 -16.672 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -16.794 -14.780 -17.060 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -18.223 -19.023 -19.570 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -18.714 -18.541 -20.268 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -18.596 -19.933 -19.600 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -28.656 -14.881 -25.140 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -28.020 -14.577 -24.458 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -28.150 -15.493 -25.677 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -23.924 -9.817 -26.466 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -24.749 -9.371 -26.161 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -24.007 -10.730 -26.119 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -19.870 -17.365 -21.293 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -20.827 -17.306 -21.511 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -19.765 -16.759 -20.532 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -29.338 -11.202 -19.528 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -30.019 -11.559 -18.924 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -29.811 -11.079 -20.376 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -23.904 -12.786 -29.035 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -24.495 -13.354 -29.573 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -23.567 -13.384 -28.339 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -31.715 -9.051 -24.799 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -32.511 -9.599 -24.996 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -30.982 -9.696 -24.766 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -26.146 -14.031 -15.799 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -26.998 -14.481 -15.667 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -26.257 -13.173 -15.332 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -23.757 -14.375 -17.062 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -23.139 -13.976 -16.427 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -24.637 -14.325 -16.607 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -20.197 -15.822 -19.040 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -20.042 -14.871 -18.841 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -21.172 -15.919 -19.000 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -15.430 -19.154 -18.938 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -15.260 -18.212 -19.121 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -16.377 -19.272 -19.162 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -23.303 -5.303 -29.821 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -22.367 -5.451 -29.605 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -23.336 -4.374 -30.107 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -37.288 -12.163 -23.970 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -37.269 -12.939 -24.542 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -36.421 -12.197 -23.493 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -29.710 -11.090 -24.494 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -28.764 -11.276 -24.670 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -30.162 -11.941 -24.689 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -21.307 -12.992 -16.156 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -20.955 -13.147 -17.059 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -20.810 -12.204 -15.840 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -14.375 -17.982 -16.541 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -14.679 -18.724 -17.093 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -14.970 -18.011 -15.751 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -25.546 -14.366 -30.556 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -26.420 -14.742 -30.420 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -25.493 -14.223 -31.506 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -31.470 -15.087 -19.603 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -30.959 -15.007 -18.764 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -32.389 -15.247 -19.308 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -30.725 -10.867 -21.914 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -31.215 -10.042 -22.003 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -30.254 -10.959 -22.771 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -26.888 -14.093 -23.177 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -25.976 -14.247 -22.861 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -27.455 -14.366 -22.418 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -34.034 -10.344 -25.227 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -34.946 -10.138 -25.514 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -33.898 -11.277 -25.508 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -23.603 -10.070 -29.194 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -23.810 -11.029 -29.261 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -23.824 -9.845 -28.268 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -11.424 -6.993 -29.425 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -12.146 -7.441 -28.920 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -11.890 -6.337 -29.959 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -17.220 -13.299 -8.216 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -17.086 -14.057 -7.643 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -18.172 -13.330 -8.433 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -22.887 -17.213 -4.107 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -23.692 -17.338 -3.595 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -22.182 -17.485 -3.513 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -21.847 -11.860 -2.225 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -22.360 -11.016 -2.176 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -20.998 -11.602 -2.610 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -23.291 -12.981 -7.494 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -23.238 -13.663 -6.784 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -24.029 -12.409 -7.221 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -18.765 -13.761 -12.422 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -19.093 -14.043 -13.303 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -18.349 -14.571 -12.056 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -19.086 -12.593 -0.029 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -19.097 -12.578 -1.014 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -20.023 -12.761 0.217 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -23.984 -13.357 -3.108 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -24.549 -12.707 -3.586 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -23.212 -12.830 -2.808 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -24.847 -11.405 0.258 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -24.438 -10.858 0.938 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -24.727 -10.899 -0.558 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -23.092 -14.737 -5.381 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -23.405 -14.294 -4.566 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -22.964 -15.668 -5.110 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -18.669 -12.761 -2.718 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -17.844 -13.152 -3.061 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -18.976 -12.174 -3.440 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -22.475 -11.996 -9.863 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -22.853 -12.353 -9.024 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -23.264 -11.763 -10.401 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -23.415 -9.689 -2.043 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -23.808 -9.158 -2.775 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -23.432 -9.084 -1.274 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -16.557 -13.469 -0.439 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -17.445 -13.185 -0.125 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -16.668 -13.569 -1.404 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -19.979 -13.577 -8.648 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -20.292 -14.461 -8.877 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -20.717 -13.185 -8.155 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -25.379 -10.739 -7.286 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -25.389 -10.697 -8.271 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -25.924 -9.969 -7.013 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -26.489 -13.082 -10.317 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -26.674 -13.231 -9.381 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -26.132 -12.161 -10.347 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -24.648 -8.297 -4.063 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -24.513 -8.036 -4.993 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -25.580 -8.590 -4.028 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -21.791 -12.768 0.330 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -22.569 -13.351 0.431 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -21.826 -12.490 -0.612 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -22.085 -12.631 -13.484 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -21.863 -13.108 -14.305 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -22.829 -13.153 -13.092 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -18.798 -9.192 -1.854 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -19.080 -8.681 -1.080 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -19.224 -8.738 -2.604 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -17.748 -16.251 -12.070 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -18.151 -16.984 -12.560 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -17.016 -15.952 -12.647 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -29.030 -14.082 -6.764 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -29.264 -14.981 -6.527 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -28.491 -13.764 -6.000 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -23.868 -10.611 -14.292 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -24.129 -10.549 -13.343 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -23.175 -11.294 -14.296 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -24.271 -13.684 -12.248 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -24.973 -14.136 -11.761 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -24.378 -12.735 -11.992 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -26.426 -11.702 -14.402 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -26.707 -11.733 -13.480 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -25.569 -11.240 -14.377 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -28.122 -10.285 -8.651 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -27.359 -10.347 -9.266 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -27.812 -9.670 -7.949 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -21.637 -10.160 1.319 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -20.682 -10.041 1.504 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -21.719 -11.111 1.104 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -28.744 -14.804 -14.811 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -29.107 -15.610 -14.433 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -28.488 -14.267 -14.026 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -19.551 -14.687 -14.848 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -18.721 -14.723 -15.376 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -20.166 -14.172 -15.404 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -24.183 -13.999 -0.319 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -24.616 -13.170 -0.026 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -24.270 -13.983 -1.289 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -18.783 -17.363 -14.606 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -18.806 -17.540 -15.568 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -19.253 -16.512 -14.510 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -30.177 -14.531 -17.241 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -29.615 -14.568 -16.443 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -30.441 -13.593 -17.305 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -32.840 -11.184 -7.038 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -31.901 -11.479 -7.064 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -32.920 -10.581 -7.805 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -30.120 -11.597 -7.182 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -29.751 -12.508 -7.151 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -29.487 -11.103 -7.754 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -16.258 -11.051 2.530 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -15.563 -11.512 2.049 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -15.823 -10.228 2.856 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -16.058 -17.950 -14.439 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -15.874 -17.052 -14.102 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -17.033 -18.008 -14.438 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -14.589 -12.820 -5.250 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -14.397 -13.296 -6.065 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -13.726 -12.826 -4.759 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -12.231 -17.119 1.294 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -11.299 -16.926 1.531 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -12.714 -17.039 2.141 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -27.831 -13.153 -4.549 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -26.911 -12.831 -4.485 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -28.374 -12.364 -4.352 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -22.258 -5.890 0.339 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -22.195 -5.383 1.170 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -22.686 -5.269 -0.284 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -19.909 -6.820 -0.795 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -20.177 -6.922 -1.726 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -20.731 -6.544 -0.337 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -29.785 -8.667 -2.023 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -30.084 -8.312 -2.890 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -30.131 -9.578 -2.011 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -27.906 -6.783 -2.882 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -28.270 -7.582 -2.447 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -27.946 -6.995 -3.839 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -29.526 -10.964 -4.450 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -29.879 -11.103 -5.352 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -30.316 -10.991 -3.873 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -28.260 -13.675 -12.335 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -28.976 -13.145 -11.976 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -27.538 -13.580 -11.674 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -25.517 -11.656 -4.630 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -25.985 -10.877 -4.263 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -25.385 -11.428 -5.576 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -37.074 -10.927 -10.862 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -36.850 -11.480 -10.108 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -37.565 -10.173 -10.469 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -13.072 -12.339 4.274 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -12.344 -12.761 4.796 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -13.634 -11.904 4.960 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -18.813 -10.377 1.557 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -18.855 -11.152 0.960 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -18.002 -10.523 2.076 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -16.821 -14.763 3.444 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -17.375 -14.890 2.669 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -15.938 -14.555 3.079 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -12.418 -9.411 4.244 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -12.579 -8.783 4.974 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -12.605 -10.280 4.634 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -17.241 -12.362 4.785 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -17.219 -13.292 4.484 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -16.980 -11.850 3.995 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -16.754 -11.047 7.083 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -17.584 -10.996 7.558 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -16.979 -11.538 6.255 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -23.090 -0.536 -36.673 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -23.645 -1.331 -36.511 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -22.515 -0.796 -37.420 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -29.407 -0.198 -41.098 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -28.580 0.311 -40.998 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -29.603 -0.516 -40.194 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -19.205 1.789 -35.832 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -18.756 1.081 -36.344 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -20.064 1.388 -35.566 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -26.257 8.946 -40.201 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -26.494 8.004 -40.211 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -27.089 9.401 -40.437 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -30.022 2.925 -38.874 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -30.309 3.539 -38.162 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -29.187 2.544 -38.537 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -20.049 0.914 -39.361 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -20.653 0.207 -39.087 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -20.631 1.689 -39.497 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -19.442 -2.632 -39.620 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -19.430 -3.361 -38.963 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -18.771 -2.899 -40.281 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -17.445 -3.620 -41.135 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -16.676 -3.168 -40.721 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -17.457 -3.280 -42.055 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -26.572 4.638 -36.277 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -27.091 5.006 -37.024 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -27.161 3.960 -35.893 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -18.569 -7.179 -38.452 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -19.104 -7.578 -37.755 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -18.281 -7.948 -39.006 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -22.002 2.768 -39.947 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -22.597 2.027 -39.744 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -22.002 2.808 -40.926 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -27.272 6.289 -40.698 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -28.020 5.681 -40.899 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -26.865 6.453 -41.556 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -21.675 5.393 -39.052 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -22.613 5.605 -39.021 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -21.654 4.438 -39.288 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -28.585 2.906 -35.521 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -28.793 3.219 -34.619 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -29.208 2.158 -35.663 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -27.827 -0.093 -34.544 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -26.991 -0.559 -34.302 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -28.104 0.343 -33.715 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -29.203 4.175 -33.156 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -28.746 5.008 -33.330 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -30.151 4.391 -33.279 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -37.444 4.432 -36.853 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -36.988 4.741 -36.039 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -38.105 5.118 -37.025 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -32.314 1.404 -39.077 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -31.583 2.052 -38.988 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -32.342 1.212 -40.041 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -21.058 6.918 -36.106 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -21.317 7.049 -37.026 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -20.999 5.941 -36.014 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -36.211 5.613 -34.762 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -36.592 6.511 -34.620 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -35.725 5.421 -33.924 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -26.992 -13.985 -40.464 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -27.157 -13.160 -40.007 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -26.129 -14.261 -40.157 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -21.693 -1.476 -38.846 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -22.015 -2.295 -38.403 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -20.840 -1.757 -39.266 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -30.404 -0.500 -38.508 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -30.099 -0.025 -37.706 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -31.211 -0.018 -38.774 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -22.119 -3.787 -37.458 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -22.134 -3.697 -36.480 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -21.284 -4.258 -37.641 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -18.769 -6.025 -40.995 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -18.254 -5.189 -41.002 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -18.717 -6.330 -40.071 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -31.496 0.896 -33.089 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -30.557 1.011 -32.819 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -31.645 1.605 -33.741 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -23.216 0.164 -40.391 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -22.643 -0.514 -39.974 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -24.128 -0.112 -40.147 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -25.675 -0.410 -39.372 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -26.208 -0.837 -38.666 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -26.335 0.059 -39.919 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -21.706 1.078 -35.032 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -22.315 1.837 -34.982 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -22.216 0.396 -35.521 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -25.455 -1.357 -34.230 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -24.705 -1.441 -33.607 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -25.192 -1.909 -34.991 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -19.238 6.679 -39.042 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -19.366 7.294 -39.770 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -20.070 6.153 -39.023 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -27.026 8.511 -35.622 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -26.890 9.323 -36.155 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -26.838 8.796 -34.701 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -20.795 4.157 -36.022 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -20.232 3.360 -36.064 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -21.711 3.804 -36.012 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -34.492 5.632 -36.888 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -35.059 5.629 -36.089 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -34.993 5.115 -37.531 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -19.393 -4.630 -37.749 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -19.003 -5.447 -38.120 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -19.573 -4.862 -36.807 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -20.274 -5.481 -35.365 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -20.171 -6.115 -34.627 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -20.933 -4.838 -35.036 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -17.450 0.692 -39.975 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -18.408 0.818 -39.765 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -17.455 0.162 -40.796 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -31.920 5.001 -33.043 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -32.901 5.108 -33.109 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -31.736 5.131 -32.107 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -23.438 3.279 -35.803 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -23.919 2.726 -36.455 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -24.088 3.942 -35.533 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -28.913 1.412 -32.396 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -28.492 1.143 -31.547 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -28.791 2.379 -32.430 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -27.468 2.099 -37.855 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -27.892 2.368 -37.012 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -26.539 1.911 -37.601 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -24.705 -2.711 -36.525 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -25.575 -2.497 -36.925 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -24.347 -3.414 -37.088 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -24.788 1.475 -37.444 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -24.306 0.778 -36.949 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -24.856 1.117 -38.346 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -27.084 -1.433 -37.122 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -27.940 -1.922 -37.092 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -27.109 -0.871 -36.326 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -23.189 -1.786 -32.735 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -22.795 -0.911 -32.567 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -23.076 -2.265 -31.886 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -20.253 -7.142 -33.172 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -20.009 -7.337 -32.233 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -21.068 -7.636 -33.307 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -29.618 -2.438 -36.706 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -30.222 -2.233 -35.968 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -30.017 -1.987 -37.475 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -20.470 -4.760 -29.460 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -19.729 -4.597 -30.073 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -20.141 -5.477 -28.871 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -14.801 0.115 -42.422 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -15.787 0.113 -42.411 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -14.573 -0.615 -43.016 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -17.500 -0.196 -42.550 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -17.593 -1.083 -42.977 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -18.296 0.280 -42.821 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -27.356 1.540 -40.490 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -27.386 1.775 -39.534 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -27.562 2.367 -40.943 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -17.622 -2.624 -43.719 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -16.714 -2.849 -44.036 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -18.214 -3.112 -44.332 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -29.942 0.607 -36.047 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -30.640 0.020 -35.685 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -29.116 0.292 -35.606 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -15.249 -7.404 -37.653 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -16.148 -7.606 -37.956 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -14.708 -7.432 -38.475 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -18.701 -4.319 -45.620 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -19.027 -4.550 -46.494 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -18.124 -5.074 -45.372 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -22.532 1.821 -42.470 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -22.799 1.470 -43.322 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -22.773 1.115 -41.830 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -31.847 3.080 -35.088 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -31.405 3.573 -35.814 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -32.064 3.770 -34.433 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -28.310 5.709 -38.139 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -28.605 6.604 -37.869 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -27.885 5.852 -39.010 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -17.797 -9.278 -39.954 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -18.131 -9.198 -40.873 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -17.244 -10.073 -39.976 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -32.171 7.064 -36.632 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -33.004 6.536 -36.710 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -32.466 7.981 -36.720 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -29.335 7.938 -36.937 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -30.069 7.656 -36.365 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -28.584 8.086 -36.317 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -26.739 11.141 -36.522 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -27.478 11.183 -35.878 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -26.892 11.914 -37.104 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -24.921 6.713 -35.644 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -25.637 7.376 -35.682 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -25.366 5.875 -35.885 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -30.650 4.779 -36.946 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -31.198 5.595 -36.909 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -29.783 5.088 -37.283 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -28.965 9.726 -40.813 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -29.486 9.610 -39.992 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -29.530 9.332 -41.505 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -17.098 -6.456 -45.004 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -17.868 -6.809 -44.506 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -16.335 -6.613 -44.403 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -15.268 -5.984 -46.993 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -15.212 -5.008 -47.060 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -16.011 -6.141 -46.366 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -19.280 -7.006 -43.422 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -20.121 -6.589 -43.638 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -19.062 -6.654 -42.520 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -14.260 5.572 -49.035 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -14.536 5.237 -49.895 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -13.701 4.874 -48.675 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -18.745 -3.773 -31.602 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -19.225 -3.262 -32.276 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -18.375 -4.540 -32.108 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -17.563 -7.895 -26.518 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -17.079 -8.309 -25.770 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -16.853 -7.565 -27.107 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -21.925 -3.357 -34.729 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -22.612 -2.972 -34.150 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -21.105 -2.879 -34.474 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -16.034 -3.762 -30.760 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -16.986 -3.759 -30.976 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -15.590 -3.698 -31.634 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -25.230 -7.215 -30.099 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -24.745 -8.025 -29.884 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -24.561 -6.501 -29.995 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -16.291 -6.033 -35.500 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -15.927 -6.364 -36.341 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -15.622 -6.288 -34.833 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -15.685 -6.610 -28.149 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -15.147 -6.606 -28.964 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -15.793 -5.658 -27.935 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -13.321 -7.991 -27.833 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -14.216 -7.636 -27.674 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -13.137 -8.546 -27.048 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -32.229 -5.022 -31.219 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -31.766 -5.087 -32.058 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -31.580 -5.361 -30.559 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -30.341 -6.087 -29.569 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -30.323 -6.709 -28.838 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -29.424 -6.115 -29.931 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -19.699 -6.925 -27.949 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -20.405 -7.468 -27.540 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -18.875 -7.240 -27.510 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -27.802 -6.356 -30.520 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -27.605 -5.936 -31.362 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -26.940 -6.745 -30.240 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -26.743 -1.010 -2.471 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -27.245 -0.275 -2.048 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -27.396 -1.751 -2.517 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -29.005 1.292 -5.265 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -29.264 1.991 -5.898 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -29.383 1.589 -4.417 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -24.013 2.529 -4.942 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -23.561 3.021 -4.222 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -23.601 1.644 -4.920 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -30.046 2.187 -2.877 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -30.598 2.545 -2.142 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -29.254 1.840 -2.429 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -31.857 0.879 -13.757 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -31.819 1.265 -12.855 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -32.503 1.425 -14.218 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -27.903 3.210 0.422 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -27.548 4.023 0.003 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -28.306 3.522 1.237 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -28.012 0.970 -1.090 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -28.146 1.736 -0.483 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -28.803 0.399 -0.939 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -29.981 -0.886 -1.312 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -29.522 -1.640 -1.733 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -30.928 -1.101 -1.415 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -32.589 0.639 -3.045 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -31.685 0.992 -3.092 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -33.155 1.433 -3.062 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -22.326 4.682 2.763 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -21.619 4.782 2.087 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -21.851 4.793 3.620 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -28.458 5.375 -6.501 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -27.657 4.998 -6.086 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -29.028 4.592 -6.677 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -16.364 -1.931 -0.604 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -16.470 -0.956 -0.527 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -17.232 -2.244 -0.941 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -31.837 2.946 -0.990 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -32.596 3.054 -1.599 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -32.243 2.825 -0.127 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -23.160 -3.791 -1.285 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -23.759 -4.289 -1.871 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -22.483 -3.403 -1.906 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -24.725 -1.913 2.261 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -25.043 -2.000 1.331 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -25.428 -2.313 2.788 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -28.623 -4.993 -0.723 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -29.592 -4.851 -0.794 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -28.437 -5.710 -1.364 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -32.221 -8.077 -6.647 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -31.736 -7.289 -6.974 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -32.607 -8.473 -7.457 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -16.525 5.097 2.464 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -16.810 5.614 1.676 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -15.715 4.632 2.161 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -22.892 3.743 -2.785 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -22.463 3.258 -2.053 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -22.352 4.560 -2.881 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -28.590 -2.944 -2.552 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -28.696 -3.443 -3.393 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -28.502 -3.645 -1.869 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -26.835 -4.365 1.279 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -27.598 -4.646 0.728 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -26.333 -3.762 0.695 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -19.707 2.988 -1.833 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -19.024 3.338 -1.225 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -20.530 3.015 -1.310 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -24.345 5.396 0.846 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -23.915 5.624 1.692 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -24.316 4.419 0.826 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -22.802 0.072 -5.391 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -22.342 0.351 -6.188 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -22.356 -0.783 -5.144 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -20.455 5.021 0.770 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -20.960 5.705 0.283 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -19.533 5.231 0.585 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -30.590 -7.808 -4.467 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -29.701 -7.663 -4.871 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -31.146 -8.104 -5.218 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -33.786 3.185 -2.971 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -33.116 3.595 -3.574 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -34.586 3.697 -3.124 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -18.917 -2.907 -1.419 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -19.530 -2.914 -0.655 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -19.520 -2.899 -2.201 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -31.930 2.071 -11.288 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -32.034 3.012 -11.527 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -32.856 1.763 -11.126 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -21.945 2.297 -0.452 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -21.264 1.898 0.121 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -22.683 2.491 0.157 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -25.267 1.551 -0.586 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -26.196 1.286 -0.451 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -24.969 1.846 0.297 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -24.214 -0.065 -2.638 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -23.990 0.557 -1.926 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -25.090 -0.410 -2.381 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -23.115 0.288 2.402 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -22.209 -0.050 2.562 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -23.674 -0.517 2.398 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -26.127 -3.362 -4.606 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -27.027 -3.715 -4.779 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -25.764 -3.966 -3.921 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -28.610 -4.409 -4.871 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -28.607 -5.361 -5.113 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -29.368 -4.035 -5.363 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -18.801 -2.645 2.325 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -19.395 -2.978 1.625 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -19.286 -1.886 2.701 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -25.633 -5.135 -2.532 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -25.428 -5.537 -1.657 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -26.377 -5.676 -2.865 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -25.448 -2.493 -0.297 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -25.853 -2.048 -1.061 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -24.623 -2.887 -0.657 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -22.840 -3.914 2.338 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -23.503 -4.539 2.701 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -23.299 -3.051 2.358 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -17.691 -5.243 -0.392 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -18.437 -5.877 -0.472 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -18.021 -4.435 -0.832 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -25.349 -6.426 -0.191 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -24.857 -7.230 0.071 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -25.922 -6.238 0.564 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -25.118 -5.126 3.268 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -25.605 -5.630 3.940 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -25.799 -4.905 2.592 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -34.499 1.354 -11.175 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -35.352 1.705 -11.484 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -34.720 0.451 -10.853 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -30.171 3.275 -6.801 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -30.365 2.706 -7.581 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -31.045 3.444 -6.409 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -18.920 6.238 -3.480 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -19.833 6.262 -3.116 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -18.992 5.667 -4.249 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -17.667 3.761 -0.117 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -17.400 4.705 -0.091 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -16.828 3.280 -0.290 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -18.012 5.994 4.706 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -17.636 5.641 3.881 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -17.442 6.744 4.924 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -32.641 -3.455 -4.433 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -32.515 -4.371 -4.097 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -31.804 -3.252 -4.897 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -16.029 -2.761 2.010 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -16.114 -2.488 1.072 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -16.945 -2.687 2.361 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -30.457 -6.047 -7.233 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -29.770 -6.503 -6.711 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -29.962 -5.434 -7.790 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -32.072 -5.876 -3.232 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -31.527 -6.473 -3.787 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -32.354 -6.445 -2.480 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -33.370 -9.222 -8.905 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -33.230 -9.185 -9.859 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -34.334 -9.055 -8.797 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -32.100 -7.446 -1.002 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -31.241 -7.897 -1.087 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -32.048 -6.990 -0.135 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -26.694 5.447 -0.747 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -26.325 4.831 -1.421 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -25.928 5.658 -0.175 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -28.105 6.981 -2.634 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -27.651 6.405 -1.980 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -28.238 7.810 -2.165 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -26.011 6.957 -4.487 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -26.085 6.036 -4.804 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -26.838 7.105 -3.993 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -21.616 6.187 -2.907 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -21.837 6.483 -1.995 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -22.219 6.714 -3.482 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -22.248 6.820 -0.334 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -23.030 6.319 -0.020 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -22.471 7.759 -0.133 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -31.660 4.106 -4.318 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -30.941 3.572 -3.934 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -31.260 5.000 -4.427 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -26.279 4.277 -4.994 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -26.313 4.016 -4.049 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -25.526 3.770 -5.349 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -25.616 3.570 -2.393 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -24.672 3.741 -2.601 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -25.593 2.757 -1.842 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -31.156 6.039 -10.417 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -30.461 6.136 -9.731 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -31.012 6.800 -11.007 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -23.418 -8.345 0.350 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -22.939 -7.487 0.381 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -22.794 -8.983 0.774 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -15.404 7.300 3.715 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -15.762 6.432 3.462 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -14.438 7.206 3.577 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -24.663 -5.976 5.872 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -24.198 -5.551 5.140 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -24.128 -5.777 6.642 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -14.202 -10.714 6.147 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -15.074 -10.921 6.557 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -14.102 -9.755 6.278 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -16.594 8.605 1.606 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -16.181 8.249 2.421 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -16.550 9.559 1.717 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -20.441 -0.372 2.782 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -20.035 0.283 2.184 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -20.144 -0.101 3.677 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -20.892 -3.157 0.525 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -21.506 -3.305 -0.216 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -21.437 -3.330 1.320 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -17.773 2.676 3.205 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -17.095 2.046 2.880 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -17.470 3.542 2.877 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -20.577 4.889 4.862 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -20.252 4.057 5.246 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -19.791 5.471 4.859 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -23.832 2.734 1.576 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -23.330 3.361 2.150 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -23.641 1.846 1.971 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -19.349 1.392 0.735 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -18.511 0.947 0.541 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -19.086 2.299 0.971 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -18.916 2.753 5.657 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -18.272 3.292 6.131 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -18.555 2.699 4.739 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -17.914 -1.902 5.470 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -18.631 -1.243 5.477 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -17.108 -1.373 5.288 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -17.349 -4.466 4.471 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -17.493 -3.650 4.998 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -17.922 -4.349 3.701 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -14.943 -8.782 3.257 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -14.033 -8.955 3.575 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -15.239 -8.016 3.788 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -30.325 12.180 -37.563 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -30.864 12.999 -37.536 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -29.455 12.461 -37.221 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -16.545 14.236 -39.582 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -16.272 15.023 -40.067 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -17.308 14.544 -39.031 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -35.224 15.058 -44.643 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -35.685 15.768 -45.102 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -34.398 14.928 -45.168 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -13.988 12.129 -36.136 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -14.086 12.951 -36.672 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -14.908 11.826 -36.001 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -32.883 9.762 -40.119 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -32.094 9.573 -39.562 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -33.209 10.621 -39.780 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -17.297 12.101 -41.145 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -18.185 12.358 -41.490 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -16.994 12.893 -40.648 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -30.964 14.099 -41.252 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -30.254 13.535 -40.874 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -31.637 14.135 -40.553 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -16.918 4.829 -40.109 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -17.524 5.010 -40.831 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -16.368 4.082 -40.439 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -29.150 12.438 -40.042 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -28.913 11.603 -40.497 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -29.618 12.147 -39.236 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -19.772 20.510 -34.794 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -19.540 19.580 -34.996 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -20.506 20.704 -35.396 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -13.466 16.135 -39.737 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -13.988 16.438 -40.514 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -12.888 16.902 -39.529 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -19.708 15.212 -34.813 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -20.453 15.277 -34.188 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -20.129 15.208 -35.683 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -28.968 15.940 -36.815 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -29.406 16.260 -36.007 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -29.706 15.606 -37.363 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -17.137 13.748 -35.052 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -18.110 13.800 -35.021 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -16.852 14.679 -34.985 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -31.288 8.632 -42.083 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -31.889 9.004 -41.402 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -31.810 8.639 -42.887 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -22.051 12.747 -37.628 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -22.667 12.029 -37.359 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -22.559 13.569 -37.461 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -30.615 9.637 -38.606 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -30.140 9.004 -38.021 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -30.606 10.480 -38.104 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -27.812 13.457 -37.630 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -27.958 13.430 -38.592 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -27.981 14.388 -37.387 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -32.829 14.791 -45.881 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -32.282 14.934 -45.077 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -32.204 14.476 -46.539 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -21.088 16.177 -37.321 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -21.415 16.806 -37.999 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -21.896 15.690 -37.046 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -19.875 12.381 -41.911 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -20.407 12.236 -42.699 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -20.415 12.006 -41.183 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -31.272 16.248 -34.992 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -32.062 16.791 -34.800 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -30.682 16.416 -34.227 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -25.137 17.895 -38.672 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -25.449 17.311 -37.940 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -25.919 18.392 -38.924 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -14.722 17.451 -41.808 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -15.543 17.949 -41.811 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -14.141 17.947 -42.420 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -21.785 19.407 -36.485 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -21.011 18.858 -36.245 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -22.074 19.047 -37.349 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -31.378 14.785 -37.587 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -32.122 14.880 -38.218 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -31.665 15.286 -36.798 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -25.304 15.723 -34.245 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -24.871 16.401 -33.701 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -24.715 14.936 -34.161 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -15.983 23.784 -34.362 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -16.341 24.632 -34.091 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -16.659 23.129 -34.056 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -21.164 11.220 -39.778 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -21.449 11.900 -39.133 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -21.959 10.648 -39.884 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -19.378 12.421 -37.095 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -20.343 12.543 -37.227 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -19.124 11.763 -37.775 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -18.491 10.717 -39.053 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -17.962 11.083 -39.793 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -19.400 10.663 -39.414 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -29.346 4.514 -41.036 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -30.180 4.764 -41.448 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -29.608 3.897 -40.318 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -30.048 17.180 -32.711 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -30.818 17.599 -32.309 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -29.297 17.728 -32.413 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -23.531 19.737 -34.443 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -22.820 19.718 -35.126 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -24.347 19.770 -34.956 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -35.489 15.992 -33.861 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -35.520 15.779 -34.820 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -34.648 16.479 -33.753 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -26.209 16.391 -36.686 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -25.971 16.175 -35.752 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -27.187 16.335 -36.701 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -23.515 14.919 -36.714 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -23.603 14.512 -35.821 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -24.378 15.346 -36.866 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -22.435 18.060 -38.854 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -22.299 18.337 -39.766 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -23.415 17.933 -38.785 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -19.566 17.910 -35.714 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -19.119 17.364 -35.045 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -19.870 17.263 -36.379 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -16.671 16.084 -33.625 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -16.975 16.987 -33.378 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -17.212 15.487 -33.062 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -13.544 19.405 -37.358 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -12.945 19.838 -36.737 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -14.340 19.213 -36.825 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -33.387 14.620 -39.661 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -34.301 14.750 -39.316 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -33.443 14.943 -40.594 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -15.436 19.348 -35.158 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -15.166 20.287 -35.093 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -16.178 19.269 -34.529 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -14.437 14.321 -37.742 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -15.262 14.136 -38.230 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -14.028 15.051 -38.246 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -18.636 14.932 -38.018 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -19.477 15.412 -37.914 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -18.786 14.083 -37.554 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -14.919 6.236 -34.451 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -14.637 6.134 -33.513 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -14.869 7.193 -34.610 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -31.334 15.263 -43.640 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -30.678 15.967 -43.616 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -31.150 14.734 -42.823 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -33.749 15.376 -42.231 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -34.437 15.367 -42.919 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -32.915 15.318 -42.728 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -16.608 11.463 -36.513 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -16.924 12.255 -36.018 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -17.361 11.224 -37.078 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -23.637 10.040 -39.471 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -23.778 10.233 -38.528 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -24.494 9.672 -39.772 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -16.439 10.349 -43.104 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -15.606 10.776 -43.371 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -16.826 10.965 -42.453 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -13.902 11.414 -43.416 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -13.780 11.139 -44.349 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -12.995 11.637 -43.118 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -18.764 15.515 -29.948 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -19.672 15.690 -30.298 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -18.539 16.318 -29.463 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -20.347 16.142 -25.809 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -19.388 15.974 -25.613 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -20.419 15.986 -26.763 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -26.589 20.267 -25.956 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -26.562 21.207 -25.748 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -26.116 19.840 -25.207 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -25.438 18.833 -23.914 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -26.213 18.663 -23.328 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -25.078 17.945 -24.086 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -21.705 16.803 -20.969 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -22.593 16.512 -20.657 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -21.573 17.682 -20.531 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -20.339 19.312 -29.624 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -19.729 19.214 -28.863 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -21.182 18.923 -29.306 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -27.605 17.873 -22.580 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -27.969 18.011 -21.690 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -27.966 16.999 -22.851 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -26.770 16.140 -19.664 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -27.501 16.765 -19.831 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -27.045 15.665 -18.843 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -33.338 18.987 -30.221 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -32.360 19.051 -30.325 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -33.488 18.061 -29.923 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -23.636 17.506 -32.890 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -23.038 16.785 -33.217 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -23.457 18.259 -33.494 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -17.309 18.027 -23.475 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -18.016 18.416 -24.036 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -17.643 18.118 -22.576 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -17.696 14.117 -31.985 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -18.118 13.254 -31.961 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -18.060 14.588 -31.196 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -22.622 18.113 -28.607 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -22.689 17.514 -27.840 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -23.539 18.282 -28.852 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -24.071 15.625 -20.235 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -24.420 14.974 -20.871 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -24.874 16.072 -19.893 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -27.209 16.481 -25.447 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -27.803 15.994 -24.822 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -26.312 16.294 -25.111 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -32.631 16.233 -21.339 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -32.689 17.035 -20.790 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -31.696 16.224 -21.657 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -33.578 20.256 -23.208 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -33.601 20.634 -24.118 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -32.642 20.239 -22.986 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -16.613 9.662 -15.526 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -16.400 8.980 -16.192 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -17.602 9.733 -15.557 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -29.876 17.007 -17.582 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -30.031 17.970 -17.495 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -29.548 16.905 -18.491 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -17.188 18.683 -32.874 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -17.986 19.229 -32.719 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -16.676 18.779 -32.042 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -23.875 12.165 -19.539 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -24.030 12.481 -18.632 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -24.267 11.278 -19.550 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -25.078 20.656 -17.096 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -25.476 21.469 -17.423 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -25.830 20.078 -16.917 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -21.206 15.964 -30.997 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -21.960 16.374 -30.546 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -21.543 15.761 -31.894 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -19.514 18.704 -24.998 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -19.819 17.867 -25.392 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -20.345 19.160 -24.738 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -22.325 14.618 -18.305 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -22.928 15.063 -18.938 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -22.898 13.960 -17.857 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -26.781 20.260 -29.634 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -27.110 21.034 -29.117 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -25.981 20.590 -30.077 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -26.112 14.999 -22.150 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -26.400 15.374 -21.292 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -26.952 14.863 -22.643 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -22.118 16.478 -23.647 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -21.786 16.612 -22.729 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -21.314 16.281 -24.170 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -25.243 16.967 -28.432 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -24.649 16.633 -27.734 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -24.907 16.537 -29.254 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -24.109 16.019 -30.698 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -23.927 15.163 -31.105 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -24.061 16.653 -31.446 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -22.130 19.207 -24.260 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -22.323 18.288 -24.003 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -22.984 19.655 -24.195 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -19.193 20.280 -31.881 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -19.916 20.451 -32.502 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -19.645 19.950 -31.066 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -29.091 17.725 -20.171 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -29.721 18.450 -20.052 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -29.535 17.122 -20.830 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -23.207 16.338 -26.516 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -22.347 16.229 -26.078 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -23.858 16.229 -25.793 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -28.338 19.093 -31.594 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -28.002 19.547 -32.400 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -27.746 19.411 -30.880 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -27.960 22.254 -28.061 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -27.690 23.123 -27.693 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -28.808 22.062 -27.611 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -30.845 19.605 -17.654 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -31.307 20.438 -17.892 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -31.521 19.092 -17.169 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -27.019 20.665 -33.363 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -26.192 20.545 -32.850 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -27.041 21.605 -33.561 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -24.757 20.142 -31.903 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -24.110 20.265 -32.625 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -24.655 19.213 -31.654 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -22.453 19.857 -17.277 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -22.140 20.176 -16.427 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -23.411 20.079 -17.278 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -35.035 15.941 -18.590 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -35.037 14.967 -18.615 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -35.007 16.156 -17.632 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -20.867 14.218 -15.951 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -21.382 14.429 -16.755 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -20.518 13.305 -16.120 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -14.205 17.236 -33.930 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -14.485 17.989 -34.491 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -15.036 16.746 -33.764 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -24.743 16.149 -24.182 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -23.815 16.172 -23.854 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -25.238 15.672 -23.468 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -19.095 12.083 -18.856 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -19.588 11.782 -18.064 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -18.241 12.363 -18.505 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -21.439 19.200 -19.723 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -21.779 19.302 -18.804 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -21.224 20.096 -19.994 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -27.782 15.045 -17.351 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -27.681 14.452 -16.583 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -28.571 15.578 -17.140 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -23.804 12.806 -16.839 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -24.261 13.184 -16.054 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -23.144 12.211 -16.460 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -31.947 12.147 -14.544 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -32.026 12.160 -13.566 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -31.032 11.825 -14.707 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -30.744 19.483 -30.410 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -29.884 19.477 -30.883 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -30.878 20.422 -30.163 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -27.577 24.591 -26.615 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -27.066 25.400 -26.514 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -28.294 24.679 -25.978 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -16.505 19.256 -30.249 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -16.256 18.733 -29.455 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -17.370 19.630 -30.024 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -18.465 18.843 -27.635 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -17.547 18.495 -27.620 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -18.679 18.995 -26.695 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -17.705 15.882 -25.602 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -17.122 15.166 -25.920 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -17.128 16.428 -25.045 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -15.802 13.060 -11.184 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -16.186 12.569 -10.443 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -16.522 13.093 -11.846 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -17.530 13.032 -16.767 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -18.341 12.525 -16.506 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -16.886 12.834 -16.051 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -17.517 14.669 -20.932 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -16.901 14.194 -21.521 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -17.025 14.740 -20.087 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -33.908 13.766 -15.539 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -33.043 13.322 -15.406 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -34.347 13.690 -14.658 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -30.398 21.728 -26.853 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -30.406 20.845 -26.418 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -30.825 21.576 -27.718 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -17.500 10.344 -10.037 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -18.312 10.452 -9.535 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -17.800 10.269 -10.967 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -12.376 14.069 -9.336 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -11.921 14.757 -8.844 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -12.885 14.560 -10.023 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -23.259 9.340 0.035 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -23.621 9.994 0.640 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -23.577 9.618 -0.840 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -25.448 10.784 -5.134 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -24.939 10.577 -5.950 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -26.305 11.068 -5.460 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -25.160 15.162 -11.533 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -24.365 15.367 -12.065 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -24.876 14.451 -10.948 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -22.966 15.393 -13.194 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -22.769 16.199 -13.687 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -22.098 14.935 -13.127 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -30.121 6.346 -4.527 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -29.493 6.587 -3.820 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -29.552 6.185 -5.307 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -20.578 13.998 -13.274 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -20.604 14.101 -14.255 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -19.664 13.690 -13.091 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -27.390 11.701 -12.800 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -28.120 11.056 -12.899 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -27.518 12.321 -13.548 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -32.654 12.102 -11.842 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -32.194 12.503 -11.064 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -32.893 11.219 -11.540 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -31.573 12.833 -9.471 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -31.346 13.559 -8.885 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -31.009 12.087 -9.159 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -23.416 7.707 -4.331 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -24.346 7.395 -4.459 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -23.513 8.525 -3.805 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -27.324 13.617 -14.909 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -27.577 14.272 -14.216 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -26.347 13.608 -14.879 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -29.898 10.848 -8.679 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -29.052 10.827 -9.183 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -29.912 10.008 -8.208 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -24.801 12.036 -12.005 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -25.751 11.972 -12.254 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -24.700 11.367 -11.292 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -22.084 11.028 -9.238 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -21.739 10.193 -9.572 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -22.061 11.624 -10.014 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -22.061 12.319 -11.681 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -21.574 12.991 -12.208 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -23.000 12.461 -11.915 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -23.257 8.040 -10.502 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -22.621 7.615 -9.897 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -22.693 8.562 -11.117 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -27.595 15.226 -12.766 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -26.734 15.251 -12.289 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -28.188 15.736 -12.210 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -25.039 10.087 -10.022 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -24.522 9.287 -10.263 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -24.821 10.232 -9.075 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -32.639 17.752 -16.753 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -31.920 17.098 -16.726 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -33.405 17.285 -16.364 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -24.639 13.531 -14.333 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -24.710 12.942 -13.554 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -24.119 14.296 -14.005 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -17.953 12.809 -13.006 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -18.160 11.856 -12.878 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -17.259 12.808 -13.697 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -21.742 9.655 -12.074 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -21.300 9.485 -12.919 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -21.787 10.633 -12.017 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -16.159 7.938 -10.558 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -15.844 8.055 -11.475 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -16.361 8.844 -10.259 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -13.264 11.840 -10.649 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -14.098 12.179 -11.025 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -12.854 12.629 -10.229 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -34.647 13.697 -12.928 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -35.257 13.799 -12.191 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -33.910 13.163 -12.558 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -17.018 6.385 0.101 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -16.822 6.575 -0.839 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -16.943 7.266 0.545 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -23.953 10.079 -2.927 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -24.636 10.223 -3.626 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -23.334 10.805 -3.055 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -22.828 7.897 -7.053 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -22.936 7.688 -6.102 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -22.128 7.304 -7.352 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -12.570 6.221 -8.057 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -13.402 6.396 -8.510 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -12.435 7.012 -7.493 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -28.965 6.753 -8.863 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -28.872 6.358 -7.971 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -28.066 6.773 -9.206 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -31.427 7.983 -12.379 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -32.369 7.959 -12.181 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -31.390 8.187 -13.346 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -27.686 10.652 -10.231 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -27.581 11.213 -11.025 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -26.772 10.345 -10.036 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -24.063 10.247 -7.456 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -23.708 9.341 -7.281 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -23.327 10.702 -7.920 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -29.147 9.556 -12.305 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -29.952 9.008 -12.212 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -28.816 9.650 -11.391 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -11.559 -9.755 -36.576 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -11.841 -10.588 -36.186 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -12.233 -9.102 -36.265 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -14.518 -9.419 -44.604 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -14.637 -8.484 -44.334 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -13.904 -9.371 -45.369 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -13.800 -7.744 -39.936 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -14.165 -8.406 -40.568 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -12.924 -8.110 -39.685 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -10.613 -5.933 -38.729 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -10.873 -6.876 -38.742 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -11.254 -5.502 -39.341 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -14.993 -6.988 -43.352 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -15.169 -7.422 -42.500 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -14.341 -6.289 -43.135 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -10.469 -20.440 -22.285 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -10.474 -20.987 -21.468 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -10.562 -21.082 -23.000 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -11.997 -16.232 -19.619 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -11.987 -16.923 -20.309 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -12.907 -16.265 -19.263 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -1.154 -16.567 -22.437 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -1.984 -16.213 -22.813 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -0.455 -16.021 -22.855 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -7.199 -19.329 -16.069 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -6.854 -20.251 -16.126 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -6.547 -18.868 -15.506 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -12.089 -18.326 -21.422 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -12.453 -18.954 -20.757 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -11.574 -18.897 -22.026 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -3.568 -15.600 -23.277 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -3.505 -14.666 -23.561 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -3.778 -16.089 -24.105 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 0.107 -14.560 -23.885 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -0.157 -13.662 -23.604 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -0.422 -14.721 -24.699 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -1.002 -12.121 -23.137 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -1.834 -12.563 -23.391 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -1.101 -11.212 -23.487 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -1.888 -14.948 -25.755 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -2.467 -15.712 -25.905 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -2.497 -14.227 -25.526 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -3.982 -13.138 -15.196 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -4.609 -13.848 -14.980 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -3.127 -13.606 -15.322 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -2.502 -19.610 -21.540 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -1.832 -19.235 -22.131 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -3.196 -18.909 -21.494 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -7.529 -14.586 -23.337 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -6.720 -14.118 -23.037 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -7.419 -14.661 -24.292 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -9.106 -18.297 -21.179 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -9.436 -19.089 -21.658 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -9.903 -17.774 -21.013 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -10.889 -19.569 -17.594 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -10.595 -19.392 -16.674 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -10.302 -20.271 -17.899 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -4.240 -17.526 -21.526 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -3.859 -16.786 -22.050 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -5.179 -17.557 -21.817 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 3.595 -12.057 -17.229 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 4.559 -12.208 -17.114 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 3.185 -12.764 -16.712 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -3.953 -7.408 -29.358 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -4.466 -7.932 -29.980 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -3.421 -8.066 -28.871 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -13.840 -10.945 -24.040 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -14.079 -11.890 -24.078 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -13.038 -10.929 -23.482 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -2.256 -9.137 -27.971 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -1.403 -9.416 -28.322 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -2.047 -8.333 -27.440 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -7.852 -24.743 -19.871 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -7.442 -25.550 -20.202 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -7.263 -24.022 -20.201 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -4.787 -18.360 -14.704 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -4.921 -19.297 -14.430 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -3.880 -18.146 -14.378 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -4.344 -21.527 -22.195 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -3.635 -20.927 -21.878 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -3.870 -22.269 -22.586 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -10.620 -21.716 -19.849 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -10.711 -22.637 -19.510 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -11.495 -21.307 -19.669 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -9.310 -16.588 -17.427 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -10.209 -16.844 -17.172 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -9.441 -15.825 -18.041 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -7.961 -20.931 -19.612 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -8.848 -21.329 -19.722 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -7.343 -21.642 -19.875 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -6.042 -22.794 -20.393 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -5.546 -22.298 -21.081 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -5.404 -22.868 -19.645 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -1.559 -15.071 -17.935 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -1.093 -14.384 -18.464 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -1.663 -15.819 -18.558 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -9.750 -14.749 -19.367 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -9.666 -14.193 -20.173 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -10.623 -15.191 -19.473 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -12.173 -17.287 -14.948 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -11.487 -17.956 -15.121 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -12.896 -17.519 -15.563 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -6.076 -21.790 -16.592 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -6.843 -22.356 -16.845 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -5.351 -22.103 -17.168 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 3.439 -14.133 -20.320 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 4.395 -14.261 -20.323 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 3.158 -14.403 -21.234 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -1.801 -17.027 -19.856 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -1.408 -16.778 -20.725 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -2.721 -17.248 -20.070 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -9.655 -13.494 -21.788 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -10.028 -12.737 -22.261 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -9.005 -13.873 -22.412 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -6.886 -17.155 -22.384 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -7.219 -16.316 -22.757 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -7.691 -17.606 -22.055 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -12.336 -9.428 -25.738 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -13.002 -10.029 -25.345 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -11.895 -9.019 -24.957 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -3.465 -13.045 -24.338 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -4.251 -12.876 -23.778 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -3.451 -12.283 -24.970 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -4.180 -22.844 -18.381 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -3.529 -22.145 -18.638 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -3.634 -23.547 -18.009 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -3.957 -17.015 -25.581 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -4.049 -17.864 -25.087 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -4.423 -17.173 -26.408 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 3.692 -12.231 -23.513 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 4.356 -11.568 -23.715 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 2.959 -11.724 -23.106 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -10.169 -8.479 -27.147 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -10.924 -8.954 -26.730 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -10.586 -7.956 -27.858 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -16.025 -14.100 -18.447 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -15.184 -13.788 -18.862 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -16.562 -13.284 -18.360 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -9.836 -18.908 -15.155 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -8.904 -19.052 -15.421 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -9.772 -18.604 -14.225 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -18.643 -17.321 -17.386 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -19.259 -16.766 -17.916 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -18.386 -18.038 -18.001 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -8.144 -23.307 -17.482 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -9.094 -23.457 -17.385 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -7.891 -23.871 -18.234 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -5.528 -15.675 -14.551 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -5.438 -15.545 -13.597 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -5.260 -16.613 -14.690 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -10.460 -24.310 -18.982 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -9.607 -24.598 -19.373 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -10.970 -25.122 -18.899 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -2.331 -21.026 -19.145 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -1.626 -20.580 -18.649 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -2.379 -20.532 -19.985 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 1.909 -17.726 -17.676 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 1.759 -16.801 -17.971 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 1.127 -18.216 -18.013 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -3.761 -22.699 -12.484 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -3.744 -23.511 -11.972 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -3.136 -22.108 -12.018 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -13.709 -13.732 -23.274 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -13.951 -14.574 -22.832 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -12.748 -13.751 -23.306 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -13.988 -16.087 -21.805 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -13.360 -16.819 -21.942 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -14.501 -16.358 -21.030 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 1.532 -11.084 -22.170 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 1.653 -11.253 -21.214 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 0.731 -11.597 -22.405 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 2.068 -11.905 -19.551 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 2.592 -12.660 -19.906 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 2.468 -11.737 -18.674 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 4.216 -15.375 -16.917 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 3.359 -15.355 -17.394 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 3.988 -15.103 -16.004 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -0.148 -19.033 -18.975 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 0.168 -19.337 -19.832 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -0.767 -18.300 -19.192 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 2.684 -14.677 -22.822 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 3.132 -13.942 -23.294 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 1.843 -14.796 -23.308 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -12.865 -20.086 -19.432 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -12.379 -19.767 -18.639 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -13.811 -19.928 -19.215 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 4.332 -19.025 -18.046 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 3.467 -18.590 -17.882 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 4.108 -19.818 -18.540 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -4.332 -19.450 -24.329 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -4.216 -20.176 -24.949 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -4.637 -19.881 -23.514 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -3.198 -10.859 -25.912 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -3.036 -10.424 -26.771 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -2.640 -10.359 -25.283 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -14.423 -6.509 -33.579 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -14.498 -5.535 -33.455 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -14.544 -6.868 -32.686 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -1.732 -11.585 -14.440 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -2.670 -11.832 -14.546 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -1.249 -12.402 -14.665 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -2.034 -21.008 -11.040 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -2.445 -20.818 -10.168 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -1.978 -20.139 -11.466 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -3.167 -19.934 -8.717 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -2.812 -20.198 -7.833 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -4.125 -19.829 -8.567 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -10.758 -14.846 -2.571 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -9.889 -15.072 -2.161 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -11.363 -15.536 -2.232 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -4.723 -13.781 -3.876 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -3.858 -14.066 -3.525 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -4.597 -12.831 -4.075 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -2.121 -20.655 -6.259 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -2.157 -20.660 -5.290 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -1.276 -21.109 -6.466 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -7.099 -13.898 1.030 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -6.776 -12.972 1.096 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -8.072 -13.807 1.046 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -15.991 -15.238 -13.933 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -16.465 -15.162 -14.792 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -15.458 -14.433 -13.886 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -1.418 -12.158 0.572 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -2.043 -12.910 0.672 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -1.974 -11.369 0.744 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -2.402 -17.800 -13.468 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -2.416 -18.014 -12.517 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -1.587 -17.277 -13.583 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -1.506 -14.323 -15.311 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -1.460 -14.686 -16.229 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -1.089 -15.011 -14.761 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 3.172 -20.005 -3.459 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 2.315 -20.085 -3.921 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 3.622 -19.270 -3.916 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 0.970 -18.897 -9.423 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 0.935 -19.831 -9.696 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 1.724 -18.854 -8.813 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -1.216 -20.814 -3.073 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -0.591 -21.337 -2.519 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -1.754 -20.316 -2.416 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -6.687 -15.655 -3.816 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -5.972 -14.977 -3.869 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -7.458 -15.224 -4.254 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -7.077 -16.547 0.718 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -6.167 -16.868 0.735 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -6.992 -15.574 0.887 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -0.119 -16.137 -13.409 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 0.252 -16.296 -12.510 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 0.539 -16.563 -14.016 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -9.848 -13.628 1.120 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -10.091 -13.376 0.219 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -10.230 -12.916 1.678 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 1.897 -13.596 -10.627 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 2.071 -12.666 -10.378 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 1.861 -13.581 -11.605 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -16.064 -13.694 -3.168 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -15.588 -13.363 -3.962 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -15.425 -14.315 -2.750 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -11.234 -10.617 -3.022 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -11.083 -10.696 -2.057 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -10.884 -9.730 -3.246 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 0.675 -13.616 1.816 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 0.666 -14.546 1.506 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -0.096 -13.206 1.373 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -4.407 -12.211 2.904 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -4.462 -12.657 3.755 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -4.036 -12.893 2.299 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -14.314 -15.255 -1.689 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -14.896 -15.588 -0.995 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -13.578 -15.906 -1.720 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 1.858 -17.154 -14.956 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 1.819 -17.437 -15.892 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 2.777 -17.353 -14.685 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 0.736 -21.386 -10.910 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 0.885 -21.530 -11.850 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -0.240 -21.400 -10.818 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 0.308 -21.871 -6.594 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 0.977 -21.699 -7.303 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 0.367 -22.820 -6.443 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -5.839 -18.165 -3.286 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -5.736 -18.615 -4.129 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -6.165 -17.267 -3.530 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 0.931 -10.862 0.066 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 0.054 -11.260 0.266 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 1.287 -11.424 -0.644 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -12.183 -16.960 -1.408 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -12.218 -17.001 -0.420 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -11.862 -17.830 -1.667 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -6.165 -19.303 -8.864 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -6.725 -19.070 -8.118 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -6.798 -19.445 -9.604 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -5.182 -18.021 -11.130 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -5.877 -18.287 -11.748 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -5.522 -18.299 -10.258 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -5.105 -18.512 -0.745 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -5.367 -18.422 -1.697 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -5.811 -19.044 -0.358 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -8.397 -15.786 -1.620 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -7.688 -15.779 -2.293 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -7.957 -16.118 -0.813 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -1.792 -15.510 -11.006 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -1.574 -15.435 -11.946 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -2.114 -16.431 -10.908 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -3.135 -14.119 1.391 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -3.576 -14.780 0.811 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -2.763 -14.659 2.130 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 0.873 -16.388 1.519 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 1.502 -16.918 0.978 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 1.159 -16.540 2.431 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -12.272 -12.955 -3.901 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -11.872 -12.091 -3.643 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -11.731 -13.620 -3.423 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -2.561 -18.123 -10.724 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -2.565 -18.666 -9.907 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -3.522 -18.009 -10.936 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -6.857 -11.143 -4.017 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -6.953 -12.014 -3.619 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -5.904 -11.080 -4.228 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 2.039 -10.994 -9.677 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 2.570 -10.569 -10.385 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 2.168 -10.407 -8.900 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -12.113 -16.708 -12.277 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -12.190 -16.817 -13.251 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -13.022 -16.713 -11.967 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -9.507 -17.675 -12.622 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -9.110 -16.983 -13.194 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -10.363 -17.286 -12.331 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -0.410 -12.045 -9.082 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -0.872 -11.387 -8.550 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 0.423 -11.597 -9.352 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 4.846 -21.144 -8.029 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 4.873 -20.288 -7.561 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 5.294 -21.761 -7.414 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -9.678 -16.288 1.924 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -8.807 -16.582 1.590 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -9.734 -15.346 1.649 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 0.328 -14.606 4.392 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 0.523 -14.184 3.535 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 0.743 -14.010 5.047 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -14.264 -14.086 2.555 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -13.996 -13.761 1.682 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -13.825 -13.469 3.188 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -8.232 -16.239 -14.699 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -8.576 -16.281 -15.608 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -7.311 -15.927 -14.804 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -1.852 -10.563 -11.823 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -1.508 -11.273 -11.264 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -1.795 -10.923 -12.731 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -3.940 -16.064 -0.300 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -3.955 -15.617 -1.159 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -4.294 -16.959 -0.490 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -7.830 -19.315 -11.101 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -7.935 -20.104 -11.644 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -8.434 -18.657 -11.517 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -5.236 -20.961 -14.066 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -4.756 -21.617 -13.513 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -5.490 -21.462 -14.866 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 6.098 -17.382 -16.830 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 5.659 -18.094 -17.352 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 5.573 -16.582 -17.033 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -2.526 -19.397 -1.143 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -3.462 -19.200 -0.959 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -2.036 -18.849 -0.497 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -1.986 -15.609 3.326 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -1.914 -16.556 3.473 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -1.238 -15.228 3.841 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 1.081 -16.675 -10.993 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 1.055 -17.532 -10.508 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 1.992 -16.640 -11.375 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 1.500 -17.366 -4.930 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 2.483 -17.410 -4.983 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 1.225 -18.308 -4.832 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 4.555 -17.509 -14.492 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 4.786 -17.295 -15.413 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 5.342 -17.992 -14.160 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 2.164 -21.558 -8.501 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 3.142 -21.480 -8.452 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 1.975 -21.644 -9.454 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 0.594 -21.911 -1.343 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 1.412 -21.388 -1.206 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 0.449 -22.346 -0.501 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 0.728 -19.925 -4.720 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 0.663 -20.626 -5.403 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 0.023 -20.160 -4.071 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -1.555 -17.506 0.651 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -0.730 -17.059 0.921 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -2.190 -16.783 0.525 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -13.978 -12.689 -0.434 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -13.598 -13.413 -0.960 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -14.939 -12.901 -0.398 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -7.839 -9.115 -2.394 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -8.694 -8.772 -2.717 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -7.602 -9.815 -3.039 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -6.572 -11.260 1.352 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -6.346 -10.529 0.740 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -5.812 -11.312 1.956 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 -3.445 -7.789 0.482 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 -3.069 -7.254 1.211 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 -3.447 -8.706 0.837 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -10.239 -8.062 -3.457 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -9.759 -7.702 -4.240 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -10.922 -7.391 -3.273 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -4.096 -11.125 -4.241 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -3.204 -11.232 -4.635 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -3.945 -10.540 -3.460 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -8.930 -14.335 -4.673 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -9.657 -14.559 -4.060 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -9.098 -13.417 -4.914 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 -1.010 -9.392 3.044 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 -0.898 -8.976 3.922 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 -0.221 -9.125 2.558 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -0.168 -7.639 4.951 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 0.095 -7.071 4.206 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 0.649 -8.121 5.178 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -10.792 -15.914 4.453 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -11.685 -16.248 4.246 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -10.256 -16.164 3.675 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 1.672 -12.332 5.353 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 1.821 -11.681 6.046 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 1.780 -11.829 4.526 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -13.457 -16.486 3.709 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -14.137 -16.758 4.337 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -13.795 -15.642 3.340 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -11.018 -13.468 5.591 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -10.466 -13.480 6.376 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -10.873 -14.354 5.181 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -11.257 -11.515 2.315 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -10.984 -10.665 2.697 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -11.911 -11.862 2.956 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -9.540 -0.639 -41.033 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -9.584 -1.563 -41.309 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -10.462 -0.324 -41.096 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -14.426 -3.356 -47.254 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -14.480 -2.717 -47.973 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -13.460 -3.507 -47.138 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -12.506 -2.633 -44.326 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -12.010 -1.795 -44.223 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -12.156 -3.015 -45.158 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -5.661 7.420 -39.020 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -5.008 6.707 -38.867 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 -5.229 8.215 -38.656 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -7.118 0.229 -41.875 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -7.394 0.821 -42.583 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -7.968 -0.058 -41.458 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -5.281 -5.052 -43.253 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -5.699 -5.297 -42.419 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -4.485 -4.556 -42.986 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -8.332 -5.611 -40.308 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -9.143 -5.666 -39.766 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -7.650 -6.040 -39.760 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -7.801 -3.279 -41.634 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -7.271 -2.951 -40.875 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -8.123 -4.157 -41.332 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -10.608 3.523 -38.505 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -11.033 3.881 -37.704 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -9.654 3.698 -38.370 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -15.665 2.494 -40.966 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -16.274 1.882 -40.496 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -15.139 1.913 -41.535 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -9.320 -2.303 -43.767 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -9.291 -2.995 -44.456 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -8.725 -2.640 -43.065 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -8.254 7.043 -39.692 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -7.294 7.172 -39.495 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -8.277 6.210 -40.214 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -12.231 2.745 -40.474 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -11.589 2.925 -39.740 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -12.979 3.339 -40.282 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -7.924 4.060 -38.367 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -7.366 3.257 -38.202 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -7.908 4.165 -39.342 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -11.686 8.518 -42.584 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -12.231 7.849 -42.105 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -11.229 8.006 -43.260 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -12.557 -5.368 -40.552 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -12.605 -5.287 -41.528 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -13.157 -6.112 -40.344 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -6.712 -8.258 -36.691 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -6.562 -7.557 -37.361 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -6.190 -8.998 -37.006 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -6.207 -6.329 -38.605 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -6.454 -5.567 -38.030 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -5.510 -5.969 -39.189 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -9.305 -4.505 -45.541 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -8.333 -4.422 -45.704 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -9.397 -5.363 -45.112 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -6.079 -3.009 -39.498 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -5.397 -3.684 -39.652 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -6.503 -3.286 -38.654 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 -15.142 -3.146 -44.617 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 -14.217 -2.992 -44.332 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 -15.076 -3.235 -45.588 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -3.366 -3.412 -42.049 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -2.564 -2.897 -42.186 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -4.099 -2.772 -42.242 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -6.610 -4.477 -45.547 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -5.867 -4.244 -46.109 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -6.193 -4.715 -44.686 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -11.826 -4.047 -46.591 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -12.092 -4.972 -46.397 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -10.851 -4.052 -46.475 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 -1.526 7.477 -37.452 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 -0.762 8.064 -37.466 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 -1.254 6.744 -36.849 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -5.552 -1.946 -42.596 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -6.296 -2.574 -42.534 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -5.956 -1.080 -42.392 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 -12.832 -6.460 -45.762 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 -13.726 -6.312 -46.138 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 -12.621 -7.383 -46.011 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -6.347 1.930 -37.910 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -6.178 1.151 -38.486 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -6.058 1.638 -37.026 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 -12.096 0.308 -41.659 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 -13.045 0.190 -41.857 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 -12.055 1.181 -41.201 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 2.564 2.655 -36.418 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 2.283 2.593 -37.338 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 3.455 2.288 -36.417 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -11.604 2.448 -44.380 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -12.526 2.369 -44.123 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -11.314 1.524 -44.525 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -11.056 -0.255 -44.107 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -10.283 -0.865 -44.042 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -11.287 -0.061 -43.173 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -10.284 3.583 -42.266 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -10.660 3.316 -43.130 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -10.955 3.297 -41.618 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -5.816 -0.265 -39.471 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -5.888 -1.241 -39.432 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -6.211 -0.031 -40.334 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -4.562 6.362 -35.971 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -4.201 6.018 -36.812 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -4.245 5.727 -35.294 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 -4.283 -5.188 -40.225 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 -3.900 -4.517 -40.838 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 -3.623 -5.890 -40.203 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -12.827 -5.204 -43.269 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -12.728 -5.668 -44.129 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -12.653 -4.264 -43.483 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 -12.867 6.676 -40.973 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 -12.129 6.750 -40.336 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -13.380 5.911 -40.649 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -6.006 3.223 -34.322 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -5.205 3.778 -34.240 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -5.710 2.450 -34.847 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 1.173 3.890 -34.416 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 1.624 3.398 -35.143 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 1.875 4.060 -33.778 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -5.274 0.863 -35.563 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -5.531 0.275 -34.813 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -4.679 0.320 -36.092 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -9.343 -5.350 -36.378 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 -9.464 -6.187 -35.891 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -9.831 -5.492 -37.221 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -6.100 -3.220 -34.878 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -6.308 -3.815 -34.126 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -5.852 -2.379 -34.453 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 -7.038 -4.155 -37.223 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 -6.612 -3.777 -36.415 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 -7.899 -4.503 -36.898 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 -10.217 -7.680 -35.180 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 -10.247 -8.542 -35.630 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 -11.125 -7.537 -34.881 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 -7.783 -7.066 -34.383 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 -8.726 -7.263 -34.576 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 -7.298 -7.512 -35.106 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -14.430 8.035 -47.878 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -15.368 8.093 -47.674 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -14.323 7.136 -48.263 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -13.854 -7.530 -48.710 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -14.469 -6.981 -48.173 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -13.988 -7.221 -49.611 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -3.478 5.828 -38.465 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 -2.707 6.410 -38.277 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -3.102 5.084 -38.945 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -3.887 9.268 -37.841 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -3.067 8.748 -37.751 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 -4.249 9.301 -36.928 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -10.919 7.369 -39.162 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -11.062 8.295 -39.470 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -9.990 7.172 -39.421 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 -12.840 -9.061 -46.754 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 -12.271 -9.746 -47.121 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 -13.208 -8.602 -47.549 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -12.579 9.922 -48.479 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -12.326 9.853 -49.401 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -13.251 9.213 -48.357 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -11.320 -8.596 -39.039 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -10.656 -9.091 -39.534 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -11.369 -9.060 -38.171 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 -13.292 -7.892 -35.688 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 -13.662 -7.448 -34.893 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 -13.933 -7.680 -36.400 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -6.240 -2.706 -25.331 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -6.503 -2.953 -26.241 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -6.952 -2.089 -25.035 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 -3.176 4.279 -28.829 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 -2.471 4.519 -28.212 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 -3.969 4.754 -28.483 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -9.309 0.903 -20.628 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -8.959 0.196 -20.065 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -9.574 1.597 -19.997 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 0.984 -9.015 -23.914 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 1.400 -8.165 -23.730 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 1.363 -9.623 -23.246 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -5.177 -3.558 -22.929 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -5.641 -3.202 -23.721 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 -5.577 -4.449 -22.792 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 0.284 -5.860 -24.912 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -0.299 -6.280 -25.572 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 0.590 -5.057 -25.343 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -6.692 -3.003 -28.130 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -7.274 -2.413 -28.654 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -5.786 -2.731 -28.389 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 -9.629 1.361 -23.393 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 -10.491 1.836 -23.383 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 -9.468 1.146 -22.447 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -2.807 -7.192 -23.939 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -3.347 -6.442 -24.284 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -2.258 -6.784 -23.233 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 -11.952 2.820 -23.355 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 -12.658 2.954 -22.694 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 -11.990 3.611 -23.904 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 -3.322 -10.061 -21.761 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -2.704 -9.962 -22.507 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 -2.902 -10.726 -21.188 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 -7.904 -1.402 -30.016 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 -7.613 -0.484 -29.831 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 -7.936 -1.448 -30.998 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 -5.752 -0.806 -33.473 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 -5.271 -0.578 -32.648 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 -6.659 -1.029 -33.167 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 -2.452 -3.672 -22.314 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 -3.305 -3.689 -22.789 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 -2.626 -3.106 -21.545 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 -9.880 0.436 -26.330 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 -10.196 0.862 -25.517 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 -10.697 0.298 -26.861 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -8.253 3.453 -24.733 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -8.613 2.684 -24.239 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -8.465 4.224 -24.159 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 -8.242 -0.958 -24.599 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 -8.771 -0.666 -25.366 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 -8.485 -0.334 -23.897 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -8.433 -0.036 -18.055 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -8.652 -0.498 -17.214 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -8.924 0.810 -17.996 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -1.431 3.424 -33.608 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -0.476 3.536 -33.806 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 -1.454 2.733 -32.934 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -12.231 0.240 -27.820 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -12.986 0.777 -28.097 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -11.988 -0.262 -28.620 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -9.937 2.276 -18.168 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -9.710 3.211 -17.998 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -10.667 2.094 -17.555 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 -3.840 5.606 -31.193 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 -3.542 5.138 -30.386 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 -4.821 5.652 -31.096 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 -3.766 4.775 -33.845 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 -2.917 4.279 -33.809 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 -3.794 5.259 -32.991 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -2.993 6.797 -26.856 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -3.884 6.543 -27.170 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -2.563 7.172 -27.650 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 0.504 -6.636 -17.288 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 0.217 -6.353 -18.186 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 0.299 -7.590 -17.266 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -4.778 -2.913 -17.899 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -4.361 -3.091 -18.767 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 -5.308 -2.104 -18.057 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -7.060 -4.886 -32.905 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -6.970 -5.095 -31.954 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -7.239 -5.761 -33.330 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -3.607 -2.789 -26.529 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -3.634 -2.465 -27.451 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -4.404 -2.411 -26.120 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 -9.369 -3.850 -33.903 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 -8.552 -4.222 -33.504 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 -9.371 -4.207 -34.814 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 -14.029 -5.595 -30.320 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 -13.342 -4.893 -30.307 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 -14.857 -5.110 -30.489 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 -4.300 -2.367 -20.574 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 -4.704 -2.701 -21.404 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 -4.917 -1.680 -20.267 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -4.303 -2.058 -29.127 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -4.140 -2.906 -29.601 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -4.358 -1.390 -29.841 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 -15.536 -3.867 -28.053 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 -14.731 -3.378 -27.856 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 -15.684 -3.712 -29.012 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -8.274 -1.478 -32.719 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 -8.745 -2.228 -33.138 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 -8.846 -0.700 -32.902 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -5.869 -6.200 -22.759 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -5.789 -6.776 -23.524 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -5.653 -6.786 -21.997 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 -11.546 -0.872 -30.312 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 -12.257 -0.315 -30.707 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 -10.781 -0.267 -30.247 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -3.950 -5.099 -25.192 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -3.670 -4.327 -25.739 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -4.663 -4.746 -24.642 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 -12.141 -3.589 -30.322 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 -12.187 -2.617 -30.212 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 -11.182 -3.792 -30.204 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 -7.059 1.195 -29.753 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 -7.096 1.925 -30.415 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 -7.064 1.654 -28.888 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 -5.925 -0.578 -18.903 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 -6.879 -0.477 -18.672 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 -5.582 0.323 -18.877 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 -8.403 -9.209 -25.110 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 -8.974 -9.004 -25.883 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 -7.536 -9.366 -25.495 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 -3.571 2.446 -30.898 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 -3.417 2.906 -30.046 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 -3.791 3.156 -31.513 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -7.856 4.089 -28.935 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -8.824 4.215 -28.986 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -7.737 3.487 -28.173 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 -14.026 2.689 -28.864 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 -13.377 3.184 -28.327 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 -14.867 3.131 -28.678 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 -7.815 2.098 -27.109 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 -7.820 2.610 -26.272 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 -8.492 1.401 -26.963 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 -5.667 6.602 -23.570 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 -5.920 7.260 -22.890 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 -4.741 6.837 -23.795 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 -13.171 4.780 -27.209 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 -13.053 5.184 -26.326 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 -14.101 4.976 -27.438 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 -4.839 0.006 -30.971 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -4.242 0.788 -30.973 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 -5.625 0.312 -30.475 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 -10.650 4.161 -28.933 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -11.341 4.386 -28.285 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 -10.702 4.882 -29.601 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 -6.525 5.614 -30.735 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 -7.215 5.666 -31.434 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 -6.925 5.017 -30.058 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -1.869 -6.857 -26.510 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -2.422 -6.124 -26.825 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -2.226 -7.057 -25.620 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -4.330 -4.668 -30.013 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -5.274 -4.772 -30.235 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -4.049 -5.567 -29.750 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -5.266 5.855 -28.141 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -5.884 5.652 -27.401 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -5.853 6.059 -28.892 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 -9.470 -3.669 -30.336 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 -9.048 -2.810 -30.136 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 -8.722 -4.274 -30.468 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -0.745 -6.494 -19.760 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -0.591 -6.330 -20.715 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -1.697 -6.408 -19.660 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -13.344 0.979 -31.008 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -13.612 1.677 -30.375 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -13.794 1.212 -31.827 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -7.874 6.849 -15.753 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -8.441 6.284 -16.315 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -7.498 6.221 -15.091 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -8.890 8.275 -31.813 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -9.512 9.004 -31.689 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 -9.404 7.470 -31.561 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -0.787 5.327 -35.893 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 0.033 5.035 -35.451 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -1.470 4.752 -35.522 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 -7.460 2.808 -32.053 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 -7.932 3.675 -32.022 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 -6.889 2.880 -32.852 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 -9.942 1.418 -30.021 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -9.015 1.417 -29.728 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -10.301 2.258 -29.673 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -9.439 1.018 -32.716 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -9.891 1.116 -31.854 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -8.657 1.604 -32.638 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 -3.624 -2.154 -15.450 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 -2.649 -2.215 -15.495 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 -3.917 -2.337 -16.362 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 -0.162 -5.045 -15.112 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 0.034 -5.452 -15.980 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 -0.463 -4.139 -15.332 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 -1.443 -2.064 -12.645 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 -1.103 -2.024 -11.726 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 -2.389 -1.912 -12.553 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -5.465 -4.852 -15.989 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -5.182 -4.187 -16.655 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -5.365 -5.699 -16.444 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 -8.641 7.396 -29.110 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 -9.298 6.818 -29.545 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 -8.163 7.804 -29.848 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 2.617 -9.812 -16.031 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 2.535 -10.243 -15.141 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 3.145 -10.453 -16.554 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -0.254 -13.233 -19.306 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -0.965 -12.619 -19.574 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 0.571 -12.752 -19.519 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -16.176 -8.818 -24.258 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -15.443 -9.446 -24.160 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -16.290 -8.436 -23.351 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -8.398 5.798 -23.325 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -8.798 6.676 -23.428 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -7.446 5.981 -23.227 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 -9.594 4.853 -16.857 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 -9.340 4.208 -16.163 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 -10.472 5.182 -16.564 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 1.835 -14.991 -18.299 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 2.368 -14.765 -19.095 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 1.002 -14.502 -18.425 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 -6.669 8.522 -21.845 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 -7.002 8.458 -20.939 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 -6.002 9.242 -21.804 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -6.718 5.536 -25.871 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -7.285 4.794 -25.576 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -6.261 5.828 -25.051 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 -1.641 -9.604 -23.988 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 -2.109 -8.733 -23.942 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 -0.685 -9.357 -24.065 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -14.627 -3.792 -33.128 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -13.654 -3.648 -33.093 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -14.963 -3.019 -33.635 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -8.695 -6.977 -29.145 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -8.733 -7.556 -28.372 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -9.627 -6.923 -29.448 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 -5.175 -8.192 -21.015 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 -5.402 -8.621 -20.169 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 -4.480 -8.772 -21.395 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 -11.935 -3.427 -33.101 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 -11.010 -3.624 -33.374 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 -11.903 -3.450 -32.122 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -7.067 -5.047 -30.086 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -7.570 -5.825 -29.740 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -6.973 -4.459 -29.306 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -5.020 8.869 -32.544 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -5.688 9.543 -32.303 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -4.990 8.283 -31.781 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -3.884 -4.613 -9.049 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -4.129 -5.552 -8.928 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -4.556 -4.270 -9.681 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 -3.330 -1.908 -5.360 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 -3.273 -1.837 -4.383 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 -4.167 -1.436 -5.586 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -5.459 5.712 -5.538 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -5.479 5.087 -6.270 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -4.956 5.264 -4.854 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 0.714 -8.274 -2.632 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -0.071 -8.003 -3.161 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 0.992 -7.452 -2.188 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -7.713 1.085 -6.694 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -7.996 0.497 -7.435 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -7.865 1.991 -7.039 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 -11.588 2.070 -3.115 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 -11.808 3.007 -3.311 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 -11.777 1.975 -2.156 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -5.811 -3.846 -10.924 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -5.524 -3.615 -11.837 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -6.697 -3.436 -10.840 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -4.982 -3.503 -13.524 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -4.510 -2.791 -14.005 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -5.250 -4.120 -14.230 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 1.258 -4.823 -5.360 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 0.494 -4.219 -5.307 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 2.028 -4.223 -5.461 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 -0.470 -4.608 -9.548 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 -1.337 -4.801 -9.172 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 -0.527 -3.668 -9.807 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -0.090 -2.020 -2.956 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -1.030 -1.765 -2.852 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 0.015 -2.145 -3.920 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 -8.393 3.714 -7.649 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 -8.629 4.112 -6.786 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 -9.011 4.133 -8.279 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -8.911 2.804 -3.100 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -9.796 2.448 -3.292 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -9.016 3.229 -2.224 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 -0.802 -1.877 -9.945 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 -0.138 -1.282 -9.579 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 -1.445 -2.004 -9.208 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 -11.828 1.271 -0.464 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 -11.735 0.323 -0.622 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 -12.374 1.322 0.343 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -14.268 3.829 1.397 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -13.943 3.100 1.947 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -14.618 3.376 0.582 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 -10.450 4.910 -9.220 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 -10.315 5.599 -9.904 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 -11.200 5.255 -8.682 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 0.334 -6.693 2.337 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 0.431 -5.796 1.960 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 0.880 -7.257 1.751 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 -3.786 -9.526 -2.034 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 -3.138 -9.051 -1.496 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 -4.559 -9.632 -1.439 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -0.638 -4.639 -2.374 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -1.567 -4.551 -2.074 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -0.366 -3.722 -2.580 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -0.874 -2.361 -15.271 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -0.318 -1.599 -15.464 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -1.012 -2.317 -14.292 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 -10.407 -4.582 -2.180 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 -9.717 -4.216 -2.778 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -10.952 -5.157 -2.762 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -12.016 -2.411 -1.991 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -11.422 -1.760 -2.423 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -11.478 -3.232 -1.947 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 -2.827 -1.803 -2.639 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 -3.108 -1.197 -1.945 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 -3.036 -2.699 -2.274 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 -13.835 -1.854 3.458 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 -13.413 -2.638 3.823 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 -14.574 -2.211 2.911 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -5.674 -0.757 -6.193 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -6.063 -1.327 -6.868 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -6.220 0.053 -6.226 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -8.444 -2.705 -10.868 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -8.658 -3.537 -11.339 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 -9.310 -2.405 -10.503 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -0.750 -2.934 -5.507 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -0.687 -2.952 -6.474 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -1.675 -2.656 -5.337 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 -8.867 -0.720 -12.832 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 -9.720 -0.704 -12.335 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 -8.303 -1.302 -12.300 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 4.628 -6.279 -13.529 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 3.957 -6.595 -14.172 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 5.334 -5.927 -14.080 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -2.423 -2.631 -7.875 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 -3.028 -3.316 -8.244 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -2.860 -2.347 -7.044 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -8.382 -0.727 -8.618 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -9.300 -1.094 -8.700 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -7.925 -1.073 -9.397 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 -9.208 4.653 -5.166 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 -10.123 4.854 -4.910 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -8.904 4.017 -4.485 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -10.591 2.684 -10.860 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -10.124 1.956 -10.424 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -10.606 3.398 -10.185 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -12.333 -6.118 -3.459 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -12.897 -5.575 -4.050 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -12.819 -6.969 -3.390 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 -11.160 1.175 -15.427 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 -11.701 0.516 -15.907 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 -11.454 1.090 -14.492 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -11.819 1.098 -12.766 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -11.666 0.218 -12.341 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 -11.402 1.731 -12.145 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 -3.250 -4.233 -1.549 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 -3.817 -5.034 -1.654 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -2.929 -4.287 -0.615 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -7.290 4.835 -13.999 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -7.140 4.650 -13.068 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -7.908 4.130 -14.287 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 1.663 -8.259 0.474 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 1.543 -7.709 -0.322 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 1.385 -9.161 0.188 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -13.096 6.235 2.694 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -12.316 6.504 2.192 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -13.396 5.426 2.252 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -15.877 1.080 2.085 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -14.921 0.861 2.065 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -16.146 1.044 1.136 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -9.335 3.135 -14.761 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -9.866 2.337 -14.978 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -9.889 3.623 -14.112 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -13.647 -1.559 -0.024 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -13.058 -1.985 -0.686 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -14.544 -1.846 -0.284 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -10.843 -0.464 -3.455 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -11.097 0.470 -3.285 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -9.927 -0.403 -3.808 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 -9.299 -6.872 -5.684 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 -8.909 -6.162 -6.196 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 -10.020 -7.213 -6.256 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -8.547 -3.028 -3.606 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -7.672 -3.382 -3.794 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -8.480 -2.085 -3.848 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -8.291 -0.131 -4.283 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -7.969 0.578 -3.705 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -8.119 0.208 -5.192 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 0.746 -4.279 0.989 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 0.883 -3.484 0.419 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 1.650 -4.489 1.322 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -4.623 -6.597 -1.641 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -4.787 -7.340 -2.237 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -4.185 -7.006 -0.861 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -10.416 -5.302 0.447 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -9.590 -4.897 0.723 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -10.462 -5.119 -0.521 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 -2.032 -4.467 0.833 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 -1.065 -4.345 0.911 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 -2.250 -5.106 1.540 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -2.349 -6.503 2.694 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -2.545 -6.696 3.620 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -1.390 -6.704 2.605 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -12.786 -6.274 1.498 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -13.545 -5.703 1.281 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -12.005 -5.772 1.173 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 -6.019 -9.214 -0.415 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 -5.936 -8.283 -0.170 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 -6.760 -9.226 -1.072 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -10.615 6.856 -11.255 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -9.964 7.532 -11.558 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -11.429 7.363 -11.112 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 -12.423 8.580 -6.589 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 -11.440 8.657 -6.647 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 -12.750 9.371 -7.076 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 4.608 -4.027 -10.852 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 3.661 -4.268 -10.792 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 4.923 -4.497 -11.629 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 2.596 -7.163 -15.201 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 2.050 -6.764 -15.905 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 2.731 -8.088 -15.500 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 2.056 -5.092 -10.494 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 1.768 -5.219 -11.430 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 1.212 -4.976 -10.001 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 1.391 -5.983 -1.265 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 0.632 -5.523 -1.707 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 1.517 -5.484 -0.439 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 1.506 -5.642 -13.077 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 2.046 -6.188 -13.674 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 0.823 -5.252 -13.667 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -15.451 -5.337 1.196 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -16.208 -5.412 0.564 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -15.578 -4.455 1.606 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 2.173 -9.035 4.304 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 2.039 -9.874 3.822 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 2.783 -8.529 3.734 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 3.698 -7.876 2.250 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 3.075 -8.162 1.546 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 4.576 -7.923 1.828 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 0.638 -8.234 -10.022 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 1.482 -8.338 -9.555 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -0.030 -8.251 -9.305 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -14.502 4.477 -2.618 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -15.233 5.117 -2.565 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -14.737 3.787 -1.956 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 -11.929 4.782 -3.451 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 -11.545 5.254 -2.698 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 -12.887 4.705 -3.222 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -12.348 5.326 -0.112 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -13.089 4.804 0.239 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -12.782 6.092 -0.558 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 -7.899 6.972 -5.957 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 -6.954 6.785 -5.788 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 -8.360 6.175 -5.628 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 -13.329 7.335 -4.260 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -12.892 6.487 -4.423 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 -13.048 7.897 -5.015 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -9.742 8.740 -7.002 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -9.101 8.143 -6.551 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -9.262 9.064 -7.767 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 -10.885 -8.142 0.643 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 -10.238 -7.464 0.407 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 -11.585 -7.647 1.110 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 -3.107 -10.236 1.598 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 -3.612 -10.888 2.130 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 -2.390 -9.932 2.207 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -15.259 -6.295 4.432 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -14.938 -5.899 3.609 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -16.067 -5.769 4.649 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 -19.800 0.183 5.430 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 -19.440 1.092 5.539 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 -20.409 0.081 6.170 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -15.857 -0.305 4.582 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -15.063 -0.825 4.357 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -16.031 0.221 3.784 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -10.279 3.632 -0.819 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -10.683 2.811 -0.487 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -10.863 4.341 -0.478 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 -13.281 0.362 1.812 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 -13.194 -0.178 2.622 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 -13.413 -0.308 1.095 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -11.220 -10.660 -0.300 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -11.250 -11.128 0.558 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -10.917 -9.752 -0.064 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 -13.779 -7.906 6.159 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 -13.735 -7.460 7.010 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 -14.332 -7.312 5.605 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 -8.132 18.723 -38.477 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 -7.928 18.761 -37.535 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 -7.372 18.239 -38.869 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -6.809 20.792 -42.038 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -5.897 21.061 -42.172 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -6.799 19.817 -42.205 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 -10.425 17.733 -46.231 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 -11.376 17.975 -46.180 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 -10.059 18.352 -46.868 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -13.035 18.545 -45.998 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -13.170 18.673 -45.037 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -13.924 18.463 -46.354 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 -5.923 17.274 -39.179 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 -5.349 18.031 -38.930 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 -5.534 16.949 -40.018 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 -4.804 13.847 -40.687 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 -3.935 14.232 -40.437 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 -4.768 12.934 -40.334 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -11.659 14.068 -42.976 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 -11.090 14.691 -43.474 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 -11.306 13.185 -43.203 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -7.479 13.536 -41.671 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -6.609 13.630 -41.230 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -7.255 13.466 -42.631 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -11.884 18.352 -39.302 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -11.723 18.985 -40.021 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -12.489 18.830 -38.687 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -8.107 4.635 -41.057 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -8.948 4.272 -41.435 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -7.430 4.354 -41.680 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 0.289 15.090 -39.571 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 1.075 14.537 -39.577 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 0.557 15.882 -39.091 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -8.409 16.095 -42.313 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -8.992 15.994 -43.098 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -8.141 15.182 -42.098 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -6.636 18.147 -42.374 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -7.341 17.462 -42.408 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -5.824 17.640 -42.172 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 -6.714 18.959 -33.780 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 -6.648 18.981 -32.800 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 -7.048 18.054 -33.978 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 -9.163 21.685 -36.597 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 -9.363 21.467 -37.538 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 -10.048 21.851 -36.200 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -17.790 21.971 -33.578 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -18.446 21.556 -34.177 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -17.973 21.561 -32.713 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -5.031 19.699 -35.760 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -5.485 20.518 -36.059 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 -5.512 19.448 -34.938 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 -14.414 21.900 -35.488 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 -14.894 22.600 -34.982 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 -14.563 22.133 -36.412 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -2.426 15.075 -39.882 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -2.562 15.939 -39.425 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -1.446 14.990 -39.943 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 -6.978 13.685 -44.349 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 -7.739 13.578 -44.962 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 -6.302 14.106 -44.886 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 -6.365 15.939 -36.787 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 -6.131 14.983 -36.858 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 -6.227 16.287 -37.693 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 -11.616 12.850 -45.693 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 -12.248 13.393 -45.203 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 -12.033 11.964 -45.719 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 -4.626 16.484 -41.486 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 -4.840 15.531 -41.412 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 -3.666 16.520 -41.359 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 -9.268 11.438 -40.992 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 -8.799 10.873 -40.340 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 -8.617 12.139 -41.213 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -9.967 15.686 -44.482 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -10.135 16.463 -45.067 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -9.571 15.021 -45.081 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 -4.380 11.266 -39.683 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 -4.164 10.598 -38.991 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -4.838 10.758 -40.362 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 -10.206 17.855 -34.286 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 -9.403 17.300 -34.374 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 -9.862 18.771 -34.264 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -7.541 12.430 -38.709 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -7.517 11.456 -38.693 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -6.839 12.700 -38.078 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -9.080 13.664 -46.134 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -9.968 13.282 -45.916 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -9.053 13.657 -47.096 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -2.770 17.493 -38.689 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -3.178 18.360 -38.854 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -3.001 17.296 -37.754 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -10.971 19.186 -42.002 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -10.399 19.989 -42.007 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -10.358 18.457 -42.176 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -4.623 19.593 -38.498 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -5.065 20.414 -38.751 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -4.652 19.599 -37.517 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -9.405 21.415 -41.860 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -8.444 21.190 -41.933 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -9.460 22.318 -42.189 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -3.117 13.100 -38.003 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -2.753 13.781 -38.598 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -3.427 12.397 -38.605 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -12.129 18.163 -32.367 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -12.950 17.875 -32.816 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -11.429 18.026 -33.040 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -6.391 21.752 -36.884 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -7.368 21.687 -36.784 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -6.231 22.692 -37.010 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -3.906 17.209 -36.192 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -4.163 18.111 -35.917 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -4.749 16.725 -36.241 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 -8.476 10.718 -33.987 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 -7.787 11.011 -34.605 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 -8.014 10.655 -33.127 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -5.647 13.300 -36.909 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -5.727 12.694 -36.137 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -4.699 13.236 -37.167 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 -5.866 11.471 -34.899 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 -5.536 10.579 -35.145 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 -5.585 11.582 -33.982 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 -13.328 19.305 -43.349 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 -13.370 20.255 -43.505 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 -12.477 19.180 -42.861 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 -12.883 13.568 -40.596 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 -12.481 13.703 -41.481 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 -13.105 14.469 -40.297 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 -13.094 10.474 -45.887 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 -12.865 10.522 -46.845 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 -13.434 9.578 -45.775 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 -11.659 21.578 -35.352 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 -12.623 21.755 -35.333 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 -11.480 21.155 -34.503 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -9.618 20.901 -39.143 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -9.106 20.069 -39.052 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -9.561 21.116 -40.093 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 -8.262 9.745 -39.021 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 -8.717 9.714 -38.153 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 -8.189 8.805 -39.285 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 -11.195 11.310 -42.926 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 -10.435 11.402 -42.313 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 -11.297 10.347 -43.033 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 -11.481 9.799 -40.159 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 -10.883 10.561 -40.261 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 -11.604 9.469 -41.074 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 -4.844 8.947 -35.248 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 -4.805 8.911 -34.263 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 -4.792 8.001 -35.522 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 -4.050 18.573 -31.365 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 -3.544 19.366 -31.170 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -4.984 18.833 -31.187 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 -9.124 15.343 -25.079 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 -8.325 14.795 -25.175 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -9.458 15.126 -24.182 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -15.922 14.008 -18.779 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -16.450 13.629 -18.047 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -15.398 13.247 -19.117 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 -13.888 18.294 -26.023 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 -12.999 17.891 -26.107 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -14.182 18.033 -25.129 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -4.712 9.737 -24.323 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -4.091 8.981 -24.310 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -4.716 10.060 -23.400 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -3.097 7.478 -24.238 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -3.026 7.235 -25.196 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -2.217 7.312 -23.888 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 -14.731 17.124 -23.666 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 -14.907 16.169 -23.840 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 -15.622 17.509 -23.519 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -11.557 16.728 -25.998 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -11.626 16.013 -26.676 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -10.666 16.613 -25.628 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -14.440 11.870 -19.730 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -13.480 12.046 -19.796 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -14.487 10.956 -19.369 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -15.248 14.526 -24.180 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -15.312 13.925 -23.407 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -15.587 13.992 -24.928 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -13.913 20.427 -30.222 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -13.513 19.691 -29.735 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -14.823 20.123 -30.408 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 -6.697 19.023 -31.043 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 -7.067 18.187 -30.680 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 -7.451 19.658 -30.997 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -6.870 14.835 -32.467 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -5.985 15.258 -32.529 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -6.695 13.983 -32.037 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -14.562 15.487 -27.421 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -14.117 14.689 -27.805 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -14.187 15.559 -26.533 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -10.467 14.600 -22.821 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -10.580 14.084 -22.016 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -11.174 15.289 -22.766 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -4.424 16.120 -32.412 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -4.237 17.044 -32.112 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -3.909 16.029 -33.224 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 -7.155 9.426 -18.120 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 -6.910 8.624 -17.641 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 -8.101 9.563 -17.886 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 -6.867 10.786 -31.805 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 -7.191 10.337 -30.999 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 -6.480 11.621 -31.467 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 -10.387 10.720 -21.991 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 -10.870 11.106 -21.230 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 -9.687 10.201 -21.587 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 -5.135 15.460 -29.801 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 -5.982 15.950 -29.705 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 -4.791 15.753 -30.672 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -5.686 12.913 -30.613 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -5.575 13.764 -30.137 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 -4.814 12.776 -31.062 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 -19.025 15.148 -17.885 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 -18.384 14.522 -17.501 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 -19.553 15.438 -17.129 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 -4.740 10.485 -21.650 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 -5.322 10.941 -20.990 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 -3.848 10.737 -21.388 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -7.015 13.355 -25.583 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -6.804 12.413 -25.714 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -6.210 13.816 -25.838 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 -8.531 8.673 -24.000 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 -7.794 8.696 -23.356 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 -8.100 8.451 -24.854 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 -7.568 16.547 -30.370 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 -8.483 16.500 -30.005 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 -7.602 15.993 -31.173 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 -3.288 12.884 -31.844 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 -2.670 12.977 -32.573 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 -2.878 13.401 -31.112 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 -2.577 14.418 -29.714 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 -3.427 14.876 -29.547 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 -2.009 14.703 -28.994 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -12.276 16.586 -22.516 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -13.200 16.678 -22.829 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -11.828 17.352 -22.886 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 -15.857 17.915 -27.906 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 -15.197 18.297 -27.281 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 -15.668 16.953 -27.881 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 -16.101 8.707 -20.876 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 -16.814 9.297 -20.613 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 -15.378 8.905 -20.238 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -9.029 20.342 -34.155 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -9.021 20.884 -34.970 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -8.107 20.014 -34.075 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 -11.351 21.399 -30.445 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 -11.409 22.256 -30.015 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 -12.291 21.133 -30.578 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -13.305 16.478 -29.704 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -12.820 17.296 -29.497 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -13.702 16.210 -28.852 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -6.303 11.467 -19.699 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -6.562 10.749 -19.077 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -6.787 12.237 -19.386 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 -6.763 10.757 -29.046 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -6.265 11.528 -29.364 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 -6.515 10.682 -28.105 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 -8.928 20.521 -31.397 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 -9.770 20.850 -31.018 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 -9.083 20.527 -32.362 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 -7.752 16.551 -34.474 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 -7.617 15.789 -33.872 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 -7.409 16.233 -35.340 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -10.142 16.338 -29.556 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -10.546 15.872 -28.789 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -10.627 17.190 -29.597 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 -13.282 12.526 -15.999 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 -12.431 12.335 -16.447 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 -13.526 13.423 -16.326 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -11.647 11.561 -19.684 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -11.310 12.078 -18.925 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -11.818 10.670 -19.304 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 -13.327 10.258 -14.330 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 -13.149 9.520 -14.951 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 -13.309 11.056 -14.895 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 -9.764 9.517 -17.347 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 -9.788 8.999 -16.530 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 -10.588 9.241 -17.832 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 -10.779 12.092 -17.142 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 -10.424 11.191 -17.292 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 -10.203 12.454 -16.437 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 -12.980 8.179 -16.097 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 -13.894 7.938 -16.328 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 -12.598 8.510 -16.946 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 -8.088 9.394 -14.758 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -7.153 9.594 -14.635 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -8.092 8.458 -15.073 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 -9.013 12.027 -15.049 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 -8.759 11.083 -15.075 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 -9.067 12.231 -14.111 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 -11.638 18.672 -29.778 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 -11.845 18.484 -30.730 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 -11.257 19.570 -29.794 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 -13.925 14.937 -17.132 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 -13.506 15.703 -17.532 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 -14.682 14.740 -17.725 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 -15.595 7.722 -17.324 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 -15.111 8.362 -17.906 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 -16.021 7.118 -17.945 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 -15.692 12.865 -22.031 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 -15.247 12.444 -21.266 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 -16.463 12.284 -22.213 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 -6.397 10.501 -26.296 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 -5.687 10.312 -25.634 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 -6.811 9.624 -26.453 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 -13.965 6.117 -31.868 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 -14.367 5.990 -30.999 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 -13.079 6.458 -31.671 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 -7.677 8.013 -26.592 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 -7.309 7.133 -26.350 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 -8.091 7.860 -27.474 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 -2.412 7.470 -29.497 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 -2.860 6.980 -30.209 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 -1.940 8.172 -29.953 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 -11.747 10.086 -12.115 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 -12.224 10.660 -11.478 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 -12.293 10.130 -12.929 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 -12.905 10.831 -8.096 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 -13.070 10.943 -9.052 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 -12.625 11.704 -7.803 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 -18.146 10.091 -12.765 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 -17.280 9.649 -12.881 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 -18.611 9.941 -13.627 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 -9.286 9.001 -12.271 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 -10.133 9.502 -12.200 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 -8.960 9.208 -13.164 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 -15.833 12.261 -14.791 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 -14.895 12.420 -15.017 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 -15.961 11.303 -14.965 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 -13.729 7.233 -1.524 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 -13.452 7.449 -2.440 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 -14.684 7.093 -1.596 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 -13.937 15.065 -11.325 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 -14.084 15.556 -12.138 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 -14.661 14.402 -11.309 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 -16.349 6.634 -2.639 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 -17.293 6.516 -2.913 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 -15.935 7.071 -3.401 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 -15.592 9.022 -13.104 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 -14.671 9.339 -13.136 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 -15.905 9.119 -14.028 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 -11.874 5.534 -15.496 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 -12.330 6.397 -15.478 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 -11.622 5.377 -14.566 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 -10.673 4.641 -12.917 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 -10.765 3.948 -12.231 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 -10.617 5.476 -12.406 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 2.377 -11.009 -13.659 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 2.828 -10.672 -12.856 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 2.126 -11.925 -13.429 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 8.662 -13.782 -17.217 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 9.011 -14.643 -17.472 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 9.424 -13.195 -17.255 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 5.259 -16.976 -0.227 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 5.174 -16.025 0.005 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 5.974 -17.299 0.363 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 4.184 -12.949 -1.521 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 3.238 -12.823 -1.710 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 4.633 -12.464 -2.224 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 6.397 -22.177 -5.925 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 7.340 -22.337 -5.817 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 5.972 -22.988 -5.566 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 6.020 -19.425 -6.147 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 6.834 -19.322 -6.689 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 6.079 -20.339 -5.804 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 8.493 -11.785 -0.342 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 8.142 -11.040 0.172 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 8.331 -12.569 0.228 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 8.167 -19.634 -7.802 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 7.719 -19.944 -8.621 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 9.099 -19.636 -8.028 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 5.721 -16.555 -2.940 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 6.281 -15.783 -2.821 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 5.526 -16.853 -2.028 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 7.090 -17.559 1.721 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 6.536 -17.543 2.522 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 7.387 -18.480 1.661 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 6.765 -20.577 -9.933 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 6.023 -20.846 -9.352 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 6.443 -20.746 -10.823 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 2.807 -18.060 0.403 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 3.633 -17.667 0.046 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 2.717 -18.912 -0.086 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 5.501 -20.941 -0.038 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 5.864 -20.712 0.842 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 6.236 -20.805 -0.640 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 6.510 -20.249 2.415 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 6.747 -20.961 3.019 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 6.034 -19.603 2.980 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 5.113 -14.381 0.609 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 4.880 -13.856 -0.194 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 4.494 -14.069 1.279 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1139 2.937 -20.501 -0.828 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1139 3.829 -20.763 -0.504 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1139 3.068 -20.352 -1.798 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1140 6.421 -13.557 -7.132 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1140 6.803 -12.848 -6.563 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1140 6.373 -14.322 -6.551 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1141 7.134 -18.458 -14.466 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1141 7.956 -18.943 -14.576 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1141 6.957 -18.076 -15.353 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1142 7.428 -11.680 -5.411 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1142 7.827 -11.674 -4.509 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1142 7.493 -10.767 -5.700 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1143 5.522 -14.629 -12.157 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1143 6.293 -15.185 -12.324 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1143 5.758 -14.136 -11.333 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1144 3.460 -16.453 -12.209 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1144 3.803 -16.903 -13.009 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1144 4.101 -15.733 -12.049 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1145 6.518 -13.451 -9.875 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1145 7.225 -12.802 -9.926 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1145 6.356 -13.552 -8.908 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1146 4.236 -13.986 -14.528 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1146 4.637 -14.204 -13.657 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1146 4.959 -13.544 -15.017 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1147 1.767 -11.268 2.721 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1147 1.487 -12.198 2.581 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1147 1.643 -10.855 1.845 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1148 2.751 -18.534 3.074 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1148 2.023 -19.155 3.187 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1148 2.798 -18.391 2.101 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1149 1.697 -13.729 -13.381 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1149 2.542 -13.968 -13.820 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1149 1.108 -14.478 -13.576 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1150 4.220 -17.811 -4.823 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1150 4.853 -18.301 -5.396 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1150 4.798 -17.338 -4.179 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1151 5.465 -24.614 -5.133 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1151 5.482 -25.399 -5.690 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1151 5.042 -24.910 -4.319 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1152 5.342 -18.177 3.852 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1152 5.310 -17.588 4.614 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1152 4.394 -18.305 3.607 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1153 7.805 -13.889 1.279 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1153 8.195 -14.748 1.472 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1153 6.872 -14.091 1.075 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1154 5.006 -8.537 -3.472 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1154 4.478 -9.285 -3.121 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1154 4.412 -7.761 -3.367 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1155 9.036 -8.750 -1.601 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1155 8.632 -9.005 -0.742 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1155 9.974 -8.944 -1.487 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1156 8.467 -11.110 -2.972 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1156 8.501 -11.594 -2.118 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1156 8.607 -10.182 -2.719 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1157 6.013 -13.260 -16.560 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1157 5.631 -14.107 -16.861 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1157 6.973 -13.347 -16.757 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1158 0.204 -9.424 -17.223 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1158 0.271 -9.751 -18.130 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1158 1.100 -9.580 -16.844 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1159 -0.917 -5.881 -22.440 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1159 -1.377 -5.006 -22.388 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1159 -0.379 -5.820 -23.260 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1160 4.316 -4.081 -8.131 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1160 4.703 -3.901 -9.016 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1160 3.518 -4.590 -8.326 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1161 5.546 -4.723 -5.714 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1161 5.902 -5.629 -5.805 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1161 5.237 -4.496 -6.619 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1162 3.318 -3.060 -5.764 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1162 3.538 -3.053 -6.713 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1162 4.072 -3.514 -5.352 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1163 5.385 -4.783 -0.180 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1163 5.398 -4.872 -1.161 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1163 5.655 -3.869 -0.026 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1164 5.638 -4.851 -2.931 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1164 5.686 -4.582 -3.876 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1164 6.297 -5.578 -2.857 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1165 6.642 -7.279 -5.415 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1165 5.946 -7.871 -5.063 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1165 7.187 -7.068 -4.635 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1166 7.168 -7.090 -2.686 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1166 6.449 -7.755 -2.796 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1166 7.911 -7.604 -2.297 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1167 3.819 -7.134 -11.071 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1167 3.149 -6.476 -10.785 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1167 4.129 -6.798 -11.943 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1168 2.034 -7.469 -5.411 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1168 2.621 -7.367 -4.639 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1168 1.641 -6.573 -5.527 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1169 4.722 -8.106 -8.685 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1169 4.561 -7.663 -9.542 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1169 5.681 -7.970 -8.519 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1170 6.170 -7.053 1.240 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1170 6.494 -6.569 2.009 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1170 5.963 -6.350 0.585 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1171 1.495 -2.318 -0.739 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1171 2.296 -1.841 -0.971 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1171 0.897 -2.169 -1.504 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1172 3.156 -5.297 1.445 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1172 3.347 -6.115 1.946 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1172 3.939 -5.175 0.874 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1173 3.375 -6.418 -3.134 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1173 2.680 -6.171 -2.490 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1173 4.013 -5.678 -3.093 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1174 2.385 -9.010 -7.748 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1174 2.180 -8.468 -6.955 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1174 3.283 -8.697 -8.023 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1175 2.871 -9.992 -2.531 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1175 2.443 -10.859 -2.520 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1175 2.125 -9.355 -2.583 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1176 3.699 -9.833 -11.517 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1176 4.613 -10.065 -11.309 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1176 3.667 -8.855 -11.394 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1177 7.334 -7.751 -8.007 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1177 8.254 -7.489 -8.079 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1177 7.103 -7.565 -7.069 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1178 7.836 -9.265 0.822 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1178 8.111 -9.334 1.743 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1178 7.146 -8.568 0.829 1.00 0.00 WAT1 END